From 8a5e72e66c8fab6d6d45a9a3fd04882a90f342f0 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Thu, 2 May 2024 11:32:54 +0300 Subject: [PATCH 1/7] Minor: Report missing path in SA solver error message --- t3/main.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/t3/main.py b/t3/main.py index ff2341df..7ea0ef86 100755 --- a/t3/main.py +++ b/t3/main.py @@ -805,8 +805,8 @@ def determine_reactions_based_on_sa(self) -> List[int]: """ reaction_keys, pdep_rxns_to_explore = list(), list() if not os.path.isdir(self.paths['SA solver']): - self.logger.error("Could not find the path to the SA solver output folder.\n" - "Not performing refinement based on sensitivity analysis!") + self.logger.error(f"Could not find the path to the SA solver output folder:\n{self.paths['SA solver']}\n" + f"Not performing refinement based on sensitivity analysis!") return reaction_keys sa_dict_max = dict() From d4dcb44a125d9afb233000101d6f1292b24ce392 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Wed, 17 Apr 2024 14:51:38 +0300 Subject: [PATCH 2/7] Fixed get_species_concentration_lists_from_ranged_params() For use case #3 of this method --- t3/simulate/rmg_constantTP.py | 26 +++++++++++++------------- 1 file changed, 13 insertions(+), 13 deletions(-) diff --git a/t3/simulate/rmg_constantTP.py b/t3/simulate/rmg_constantTP.py index 3d7d7cab..a4f7c60a 100755 --- a/t3/simulate/rmg_constantTP.py +++ b/t3/simulate/rmg_constantTP.py @@ -320,7 +320,7 @@ def generate_rmg_reactors_for_simulation(self) -> dict: v_vals = get_values_within_range(value_range=reactor['V'], num=self.t3['options']['num_sa_per_volume_range']) for t_val in t_vals: - for param in p_vals if ranged_p else v_vals: + for param in p_vals if (ranged_p or len(p_vals) == 1) else v_vals: for species_list in species_lists: new_reactor = {k: v for k, v in reactor.items() if k not in ['T', 'P', 'V']} new_reactor['T'] = t_val @@ -340,10 +340,10 @@ def get_species_concentration_lists_from_ranged_params(self) -> List[List[dict]] species_lists = list() spc_indices_w_ranges = [i for i, spc in enumerate(self.rmg['species']) if isinstance(spc['concentration'], (list, tuple))] - species_list = [{'label': spc['label'], 'concentration': spc['concentration']} for spc in self.rmg['species'] - if (isinstance(spc['concentration'], (float, int)) and spc['concentration'] > 0) - or spc['balance'] or not spc['reactive']] - species_vals = [get_values_within_range(value_range=self.rmg['species'][spc_indices_w_ranges.index(species_index)]['concentration'], + species_list_wo_ranges = [{'label': spc['label'], 'concentration': spc['concentration']} for spc in self.rmg['species'] + if (isinstance(spc['concentration'], (float, int)) and spc['concentration'] > 0) + or (spc['balance'] and spc['concentration'] == 0)] + species_vals = [get_values_within_range(value_range=self.rmg['species'][species_index]['concentration'], num=self.t3['options']['num_sa_per_concentration_range']) for species_index in spc_indices_w_ranges] @@ -353,13 +353,13 @@ def get_species_concentration_lists_from_ranged_params(self) -> List[List[dict]] if spc['concentration'] > 0 or spc['balance'] or not spc['reactive']]] # 2. Only two ranged concentrations and modify_concentration_ranges_in_reverse is True - if len(spc_indices_w_ranges) == 2 and self.t3['options']['modify_concentration_ranges_in_reverse']: + elif len(spc_indices_w_ranges) == 2 and self.t3['options']['modify_concentration_ranges_in_reverse']: spc_0_vals = get_values_within_range(value_range=self.rmg['species'][spc_indices_w_ranges[0]]['concentration'], num=self.t3['options']['num_sa_per_concentration_range']) spc_1_vals = get_values_within_range(value_range=self.rmg['species'][spc_indices_w_ranges[1]]['concentration'], num=self.t3['options']['num_sa_per_concentration_range']) for val_0, val_1 in zip(spc_0_vals, spc_1_vals[::-1]): - new_species_list = species_list + new_species_list = species_list_wo_ranges new_species_list.append({'label': self.rmg['species'][spc_indices_w_ranges[0]]['label'], 'concentration': val_0}) new_species_list.append({'label': self.rmg['species'][spc_indices_w_ranges[1]]['label'], @@ -368,17 +368,17 @@ def get_species_concentration_lists_from_ranged_params(self) -> List[List[dict]] # 3. No combinations, modify_concentration_ranges_together is True elif self.t3['options']['modify_concentration_ranges_together']: - for point_number in range(self.t3['options']['num_sa_per_concentration_range']): - new_species_list = species_list - for i, spc_index in enumerate(spc_indices_w_ranges): - new_species_list.append({'label': self.rmg['species'][spc_index]['label'], - 'concentration': species_vals[i][point_number]}) + for point_number in range(self.t3['options']['num_sa_per_concentration_range']): + new_species_list = [entry for entry in species_list_wo_ranges] + for i, spc_index in enumerate(spc_indices_w_ranges): + new_species_list.append({'label': self.rmg['species'][spc_index]['label'], + 'concentration': species_vals[i][point_number]}) species_lists.append(new_species_list) # 4. Combinations (products) else: for vals in itertools.product(*species_vals): - new_species_list = species_list + new_species_list = species_list_wo_ranges for i, val in enumerate(vals): new_species_list.append({'label': self.rmg['species'][spc_indices_w_ranges[i]]['label'], 'concentration': val}) From 179786b0c86f48699e0e2141c9204da4efb5374d Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Sun, 13 Aug 2023 14:36:30 +0300 Subject: [PATCH 3/7] Tests: get_species_concentration_lists_from_ranged_params() case 3 --- .../RMG/chemkin/chem_annotated.inp | 1727 + .../RMG/chemkin/species_dictionary.txt | 332 + .../iteration_1/RMG/input.py | 66 + .../RMG/chemkin/chem_annotated.inp | 35386 ++++++++++++++++ .../RMG/chemkin/species_dictionary.txt | 1170 + .../iteration_1/RMG/input.py | 66 + .../test_rmg_constantTP.py | 119 +- 7 files changed, 38849 insertions(+), 17 deletions(-) create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/chemkin/chem_annotated.inp create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/chemkin/species_dictionary.txt create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/input.py create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/chemkin/chem_annotated.inp create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/chemkin/species_dictionary.txt create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/input.py diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/chemkin/chem_annotated.inp b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/chemkin/chem_annotated.inp new file mode 100644 index 00000000..bb7272ac --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/chemkin/chem_annotated.inp @@ -0,0 +1,1727 @@ +ELEMENTS + H + D /2.014/ + T /3.016/ + C + CI /13.003/ + O + OI /17.999/ + N + Ne + Ar + He + Si + S + F + Cl + Br + I + X /195.083/ +END + +SPECIES + N2 ! N2 + Ar ! Ar + He ! He + Ne ! Ne + fuel(1) ! fuel(1) + O2(2) ! O2(2) + C(4) ! C(4) + CH3(5) ! [CH3](5) + C2H5(6) ! C[CH2](6) + H(7) ! [H](7) + HO2(8) ! [O]O(8) + CH3O2(10) ! CO[O](10) + C2H4(12) ! C=C(12) + HO(14) ! [OH](14) + OO(16) ! OO(16) + C2H5O2(17) ! CCO[O](17) + COO(20) ! COO(20) + CCOO(22) ! CCOO(22) + CH3O(24) ! C[O](24) + CH2O(26) ! C=O(26) + C2H5O(32) ! CC[O](32) + C2H5O2(36) ! [CH2]COO(36) + C2H3(42) ! [CH]=C(42) + CO(50) ! [C-]#[O+](50) + CHO(51) ! [CH]=O(51) + O(52) ! O(52) + C2H5O(72) ! [CH2]CO(72) + C2H4O(82) ! C=CO(82) + C2H4O(83) ! [CH2]C[O](83) + C2H5O3(86) ! [O]OCCO(86) + C1CO1(96) ! C1CO1(96) + C2H3O(103) ! [CH]1CO1(103) + C2H3O(111) ! C=C[O](111) + S(166) ! C=CO[O](166) + S(175) ! [CH2]C1OO1(175) + S(228) ! [CH2]C([O])[O](228) + S(256) ! [O]C1CO1(256) + S(282) ! [O]CC=O(282) + S(283) ! [CH2]OC=O(283) + CHO3(378) ! [O]OC=O(378) + S(389) ! [O]OCC=O(389) +END + + + +THERM ALL + 300.000 1000.000 5000.000 + +! Thermo library: primaryThermoLibrary +N2 N 2 G 200.000 6000.000 1000.00 1 + 2.95258000E+00 1.39690000E-03-4.92632000E-07 7.86010000E-11-4.60755000E-15 2 +-9.23949000E+02 5.87189000E+00 3.53101000E+00-1.23661000E-04-5.02999000E-07 3 + 2.43531000E-09-1.40881000E-12-1.04698000E+03 2.96747000E+00 4 + +! Thermo library: primaryThermoLibrary +Ar Ar 1 G 200.000 6000.000 1000.00 1 + 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 +-7.45375000E+02 4.37967000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 + 0.00000000E+00 0.00000000E+00-7.45375000E+02 4.37967000E+00 4 + +! Thermo library: primaryThermoLibrary +He He 1 G 200.000 6000.000 1000.00 1 + 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 +-7.45375000E+02 9.28724000E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 + 0.00000000E+00 0.00000000E+00-7.45375000E+02 9.28724000E-01 4 + +! Thermo library: primaryThermoLibrary +Ne Ne 1 G 200.000 6000.000 1000.00 1 + 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 +-7.45375000E+02 3.35532000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 + 0.00000000E+00 0.00000000E+00-7.45375000E+02 3.35532000E+00 4 + +! Thermo group additivity estimation: group(Cs-CsHHH) + group(Cs-CsHHH) +fuel(1) C 2H 6 G 100.000 5000.000 954.51 1 + 4.58983536E+00 1.41507675E-02-4.75961772E-06 8.60293368E-10-6.21715891E-14 2 +-1.27217672E+04-3.61741403E+00 3.78033395E+00-3.24261652E-03 5.52380093E-05 3 +-6.38580530E-08 2.28636782E-11-1.16203408E+04 5.21033935E+00 4 + +! Thermo library: primaryThermoLibrary +O2(2) O 2 G 100.000 5000.000 1074.55 1 + 3.15382083E+00 1.67804368E-03-7.69974219E-07 1.51275458E-10-1.08782411E-14 2 +-1.04081729E+03 6.16755821E+00 3.53732242E+00-1.21571644E-03 5.31620241E-06 3 +-4.89446418E-09 1.45846252E-12-1.03858849E+03 4.68368184E+00 4 + +! Thermo library: primaryThermoLibrary +C(4) C 1H 4 G 100.000 5000.000 1084.11 1 + 9.08224033E-01 1.14541545E-02-4.57177701E-06 8.29200668E-10-5.66322263E-14 2 +-9.71995617E+03 1.39933306E+01 4.20542248E+00-5.35565694E-03 2.51126070E-05 3 +-2.13766296E-08 5.97537784E-12-1.01619436E+04-9.21305355E-01 4 + +! Thermo library: primaryThermoLibrary + radical(CH3) +CH3(5) C 1H 3 G 100.000 5000.000 1337.62 1 + 3.54143476E+00 4.76790293E-03-1.82150263E-06 3.28880665E-10-2.22548820E-14 2 + 1.62239689E+04 1.66048042E+00 3.91546917E+00 1.84152701E-03 3.48746506E-06 3 +-3.32752583E-09 8.49973654E-13 1.62856393E+04 3.51735754E-01 4 + +! Thermo group additivity estimation: group(Cs-CsHHH) + group(Cs-CsHHH) + radical(CCJ) +C2H5(6) C 2H 5 G 100.000 5000.000 900.30 1 + 5.15610383E+00 9.43141025E-03-1.81956906E-06 2.21222003E-10-1.43503346E-14 2 + 1.20641247E+04-2.91039959E+00 3.82187564E+00-3.43410404E-03 5.09276313E-05 3 +-6.20238656E-08 2.37085999E-11 1.30660112E+04 7.61629339E+00 4 + +! Thermo library: primaryThermoLibrary +H(7) H 1 G 100.000 5000.000 4879.80 1 + 4.28461071E+00-1.45494649E-03 4.44804306E-07-6.04359642E-11 3.07921551E-15 2 + 2.37230923E+04-1.18931307E+01 2.50000000E+00-3.01680531E-12 3.74582141E-15 3 +-1.50856878E-18 1.86626471E-22 2.54742178E+04-4.44972899E-01 4 + +! Thermo group additivity estimation: group(O2s-OsH) + group(O2s-OsH) + radical(HOOJ) +HO2(8) H 1O 2 G 100.000 5000.000 932.16 1 + 3.21024755E+00 3.67940429E-03-1.27700656E-06 2.18043071E-10-1.46336104E-14 2 +-9.10372158E+02 8.18286848E+00 4.04594194E+00-1.73461148E-03 1.03765168E-05 3 +-1.02200655E-08 3.34900095E-12-9.86754120E+02 4.63582335E+00 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs-OsHHH) + radical(ROOJ) +CH3O2(10) C 1H 3O 2 G 100.000 5000.000 2096.19 1 + 6.47613270E+00 8.47765333E-03-3.27632725E-06 5.35454903E-10-3.24197515E-14 2 +-1.36781074E+03-8.69686873E+00 3.66590306E+00 1.04793954E-02-2.30380705E-06 3 +-5.38700616E-10 1.86908182E-13 5.48716569E+02 8.70199902E+00 4 + +! Thermo group additivity estimation: group(Cds-CdsHH) + group(Cds-CdsHH) +C2H4(12) C 2H 4 G 100.000 5000.000 940.46 1 + 5.20316892E+00 7.82412107E-03-2.12665651E-06 3.79648173E-10-2.94635294E-14 2 + 3.93620961E+03-6.62509091E+00 3.97968928E+00-7.57491942E-03 5.52948110E-05 3 +-6.36187177E-08 2.31751626E-11 5.07746321E+03 4.04642338E+00 4 + +! Thermo library: primaryThermoLibrary +HO(14) H 1O 1 G 100.000 5000.000 1145.76 1 + 3.07193724E+00 6.04019842E-04-1.39805946E-08-2.13440809E-11 2.48061363E-15 2 + 3.57938792E+03 4.57801470E+00 3.51456839E+00 2.92734266E-05-5.32150589E-07 3 + 1.01947520E-09-3.85939401E-13 3.41425418E+03 2.10434756E+00 4 + +! Thermo group additivity estimation: group(O2s-OsH) + group(O2s-OsH) +OO(16) H 2O 2 G 100.000 5000.000 908.86 1 + 5.41576654E+00 2.61011744E-03-4.39913287E-07 4.91138677E-11-3.35231515E-15 2 +-1.83029440E+04-4.02236679E+00 3.73136572E+00 3.35061307E-03 9.35069378E-06 3 +-1.52104724E-08 6.41608956E-12-1.77211711E+04 5.45908110E+00 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs-CsOsHH) + group(Cs-CsHHH) + radical(ROOJ) +C2H5O2(17) C 2H 5O 2 G 100.000 5000.000 1095.54 1 + 4.87873724E+00 2.03232877E-02-8.67124174E-06 1.60976720E-09-1.11059172E-13 2 +-4.38913282E+03 3.43699643E+00 2.80473255E+00 2.78958009E-02-1.90393999E-05 3 + 7.91905979E-09-1.55082211E-12-3.93470029E+03 1.36321246E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs-OsHHH) +COO(20) C 1H 4O 2 G 100.000 5000.000 1477.62 1 + 6.19116979E+00 1.22694446E-02-5.13123287E-06 9.24930348E-10-6.17729241E-14 2 +-1.90191625E+04-7.42849904E+00 3.16027935E+00 1.66932727E-02-5.78384765E-06 3 +-5.12331422E-10 4.74386981E-13-1.77107001E+04 9.77386235E+00 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs-CsOsHH) + group(Cs-CsHHH) +CCOO(22) C 2H 6O 2 G 100.000 5000.000 1748.22 1 + 9.45934421E+00 1.72739440E-02-7.09092331E-06 1.26676478E-09-8.41885351E-14 2 +-2.46782155E+04-2.37359973E+01 2.36484773E+00 3.35064061E-02-2.10185939E-05 3 + 6.57793297E-09-8.43697479E-13-2.21976611E+04 1.44538374E+01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(Cs-OsHHH) + radical(H3COJ) +CH3O(24) C 1H 3O 1 G 100.000 5000.000 916.90 1 + 4.01631628E+00 6.26797033E-03-1.58058529E-06 2.44583753E-10-1.70318071E-14 2 +-4.49842880E+02 4.33827879E+00 4.00132525E+00-4.15643285E-03 3.26339168E-05 3 +-3.71096878E-08 1.35699397E-11-6.15119637E+00 6.81382848E+00 4 + +! Thermo group additivity estimation: group(Cds-OdHH) +CH2O(26) C 1H 2O 1 G 100.000 5000.000 1402.28 1 + 3.17988887E+00 9.55608359E-03-6.27306558E-06 1.33555634E-09-9.68419012E-14 2 +-1.50751956E+04 4.31112571E+00 4.32289930E+00-5.06330603E-03 2.15156555E-05 3 +-1.76522418E-08 4.31818297E-12-1.42789566E+04 2.39241299E+00 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(Cs-CsOsHH) + group(Cs-CsHHH) + radical(CCOJ) +C2H5O(32) C 2H 5O 1 G 100.000 5000.000 1600.53 1 + 4.07873895E+00 1.83128913E-02-7.92845256E-06 1.42803759E-09-9.42394019E-14 2 +-4.86611607E+03 4.40557619E+00 3.57142125E+00 1.17363703E-02 5.58669134E-06 3 +-7.26360533E-09 1.74169082E-12-3.69897434E+03 1.02304950E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs-CsOsHH) + group(Cs-CsHHH) + radical(CJCOOH) +C2H5O2(36) C 2H 5O 2 G 100.000 5000.000 1205.81 1 + 7.68736648E+00 1.72638994E-02-7.53483236E-06 1.41722179E-09-9.85890368E-14 2 + 2.26523460E+03-1.01263156E+01 2.43697089E+00 3.46810236E-02-2.92015009E-05 3 + 1.33963528E-08-2.58223537E-12 3.53142084E+03 1.61863877E+01 4 + +! Thermo group additivity estimation: group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cds_P) +C2H3(42) C 2H 3 G 100.000 5000.000 931.97 1 + 5.44799319E+00 4.98351320E-03-1.08817952E-06 1.79830559E-10-1.45090637E-14 2 + 3.38297633E+04-4.87823746E+00 3.90669641E+00-4.06229857E-03 3.86775870E-05 3 +-4.62970639E-08 1.72897764E-11 3.47971786E+04 6.09792179E+00 4 + +! Thermo library: primaryThermoLibrary +CO(50) C 1O 1 G 100.000 5000.000 1571.62 1 + 2.91303485E+00 1.64662385E-03-6.88638052E-07 1.21042316E-10-7.84056031E-15 2 +-1.41808678E+04 6.71064294E+00 3.56838092E+00-8.52134725E-04 2.48920193E-06 3 +-1.56333269E-09 3.13601889E-13-1.42842550E+04 3.57911825E+00 4 + +! Thermo group additivity estimation: group(Cds-OdHH) + radical(HCdsJO) +CHO(51) C 1H 1O 1 G 100.000 5000.000 1565.70 1 + 4.61829364E+00 5.04509702E-03-4.39267721E-06 9.73339941E-10-7.07480358E-14 2 + 2.78770160E+03-2.22742103E+00 4.35603170E+00-3.47098282E-03 1.25667119E-05 3 +-9.99516474E-09 2.27896864E-12 3.99576997E+03 2.75108404E+00 4 + +! Thermo library: primaryThermoLibrary +O(52) H 2O 1 G 100.000 5000.000 1130.25 1 + 2.84324402E+00 2.75109591E-03-7.81037318E-07 1.07244983E-10-5.79403178E-15 2 +-2.99586099E+04 5.91045648E+00 4.05763677E+00-7.87946473E-04 2.90880969E-06 3 +-1.47523008E-09 2.12859005E-13-3.02815867E+04-3.11367464E-01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(Cs-CsOsHH) + group(Cs-CsHHH) + radical(CJCO) +C2H5O(72) C 2H 5O 1 G 100.000 5000.000 1017.76 1 + 6.54527551E+00 1.26018649E-02-4.53931814E-06 7.85387751E-10-5.26746997E-14 2 +-6.37457395E+03-6.55825228E+00 2.87994918E+00 2.19671094E-02-1.09137130E-05 3 + 9.50647273E-11 1.31209786E-12-5.36744522E+03 1.24717926E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-Cd)H) + group(Cds-CdsOsH) + group(Cds-CdsHH) +C2H4O(82) C 2H 4O 1 G 100.000 5000.000 898.45 1 + 1.51115244E+01-5.38382627E-03 5.65894445E-06-1.18190830E-09 7.91195201E-14 2 +-2.38141806E+04-5.75071686E+01 2.92547241E+00 8.36022879E-03 5.03455322E-05 3 +-8.45253088E-08 3.72344397E-11-1.99894847E+04 9.07749515E+00 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(Cs-CsOsHH) + group(Cs-CsHHH) + radical(CCOJ) + radical(CJCO) +C2H4O(83) C 2H 4O 1 G 100.000 5000.000 2185.51 1 + 9.40311990E+00 9.10883227E-03-4.03136451E-06 6.84141279E-10-4.16262141E-14 2 + 1.77564214E+04-2.49101239E+01 3.79464803E+00 1.29774672E-02-2.29660633E-06 3 +-1.18413547E-09 3.25265581E-13 2.17354534E+04 1.00272285E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-CsH) + group(O2s-OsH) + group(Cs-CsOsHH) + group(Cs-CsOsHH) + radical(ROOJ) +C2H5O3(86) C 2H 5O 3 G 100.000 5000.000 851.73 1 + 6.01921233E+00 2.25618170E-02-9.99173723E-06 1.83683630E-09-1.23904411E-13 2 +-2.35490010E+04 2.02738972E+00 1.94947809E+00 4.92159440E-02-7.02140536E-05 3 + 5.93694880E-08-2.00621518E-11-2.31292799E+04 1.94025721E+01 4 + +! Thermo group additivity estimation: group(O2s-CsCs) + group(Cs-CsOsHH) + group(Cs-CsOsHH) + ring(Ethylene_oxide) +C1CO1(96) C 2H 4O 1 G 100.000 5000.000 815.42 1 + 7.14618285E+00 5.24165831E-03 2.57319394E-06-8.43013503E-10 6.86602575E-14 2 +-9.35081720E+03-1.45794913E+01 3.63616936E+00 1.99291876E-04 5.27980492E-05 3 +-7.53845806E-08 3.31867285E-11-8.03832656E+03 6.17599670E+00 4 + +! Thermo group additivity estimation: group(O2s-CsCs) + group(Cs-CsOsHH) + group(Cs-CsOsHH) + ring(Ethylene_oxide) + radical(CCsJO) +C2H3O(103) C 2H 3O 1 G 100.000 5000.000 816.58 1 + 9.79736676E+00-1.49438794E-03 5.68998624E-06-1.43716611E-09 1.09912746E-13 2 + 1.21632492E+04-2.69022107E+01 3.43609168E+00 3.74280013E-03 4.36889226E-05 3 +-7.13368844E-08 3.34123698E-11 1.40664393E+04 7.79041436E+00 4 + +! Thermo group additivity estimation: group(O2s-(Cds-Cd)H) + group(Cds-CdsOsH) + group(Cds-CdsHH) + radical(C=COJ) +C2H3O(111) C 2H 3O 1 G 100.000 5000.000 914.21 1 + 1.17260578E+01-1.47352239E-03 2.90738466E-06-5.96992357E-10 3.70277452E-14 2 +-5.94149985E+03-3.84465849E+01 3.34718312E+00 1.28744555E-03 5.39980352E-05 3 +-7.84134802E-08 3.24081313E-11-2.99284548E+03 8.97298073E+00 4 + +! Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + group(Cds-CdsOsH) + group(Cds-CdsHH) + radical(ROOJ) +S(166) C 2H 3O 2 G 100.000 5000.000 929.14 1 + 8.42365772E+00 7.62122735E-03-2.14950402E-06 3.43079252E-10-2.33960807E-14 2 + 1.17468416E+04-1.48818407E+01 2.87428165E+00 2.04122622E-02-4.88064287E-06 3 +-1.05540541E-08 6.36795242E-12 1.32571768E+04 1.40610508E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group(Cs-CsOsOsH) + group(Cs-CsHHH) + ring(dioxirane) + radical(CJCOOH) +S(175) C 2H 3O 2 G 100.000 5000.000 894.88 1 + 1.30755575E+01-1.10158088E-03 3.72944324E-06-8.41862158E-10 5.73805966E-14 2 + 1.50313357E+04-4.13058059E+01 3.01109887E+00 8.38663639E-03 4.73286287E-05 3 +-7.76514186E-08 3.38996235E-11 1.82540047E+04 1.40732976E+01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cs-CsHHH) + radical(CCOJ) + radical(CCOJ) + +! radical(CJCO) +S(228) C 2H 3O 2 G 100.000 5000.000 843.55 1 +-6.13340653E-01 2.60676110E-02-1.36112108E-05 2.66001845E-09-1.84544934E-13 2 + 2.62104183E+04 3.76225094E+01 2.98518400E+00 3.07917548E-02-6.07548532E-05 3 + 7.05373075E-08-2.93756007E-11 2.48281249E+04 1.62791604E+01 4 + +! Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cs-CsOsHH) + ring(Ethylene_oxide) + radical(CCOJ) +S(256) C 2H 3O 2 G 100.000 5000.000 1901.96 1 + 3.10683290E+00 1.42516278E-02-3.18932426E-06 3.47231354E-10-1.56321501E-14 2 +-4.36427895E+03 1.33366763E+01 2.78587639E+00 1.88102377E-02-9.84736915E-06 3 + 3.75455855E-09-6.04617615E-13-4.94462703E+03 1.32448283E+01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(Cs-(Cds-O2d)OsHH) + group(Cds-OdCsH) + radical(C=OCOJ) +S(282) C 2H 3O 2 G 100.000 5000.000 1131.59 1 + 6.26210428E+00 1.17705687E-02-4.69831646E-06 8.55655906E-10-5.87796095E-14 2 +-1.05696130E+04-3.11699780E+00 3.04860304E+00 1.80358313E-02-6.25095159E-06 3 +-2.20772965E-09 1.49688134E-12-9.51619784E+03 1.42246293E+01 4 + +! Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(Cs-OsHHH) + group(Cds-OdOsH) + radical(CsJOC(O)H) +S(283) C 2H 3O 2 G 100.000 5000.000 989.21 1 + 8.88957861E+00 9.04490812E-03-3.59875184E-06 7.20766742E-10-5.48837487E-14 2 +-2.20779953E+04-1.98667261E+01 3.01504201E+00 1.39646408E-02 1.75013695E-05 3 +-3.27472189E-08 1.32678089E-11-1.99942408E+04 1.30686639E+01 4 + +! Thermo group additivity estimation: group(O2s-O2s(Cds-O2d)) + group(O2s-(Os-CdOd)H) + group(Cds-OdOsH) + radical(C(=O)OOJ) +CHO3(378) C 1H 1O 3 G 100.000 5000.000 1173.49 1 + 8.03737276E+00 1.87988743E-03 4.50456111E-07-1.98265307E-10 1.79642635E-14 2 +-1.49458425E+04-1.29951848E+01 2.83156598E+00 2.43966336E-02-3.44311584E-05 3 + 2.30835635E-08-5.68025684E-12-1.40526227E+04 1.15526764E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsH) + group(Cs-(Cds-O2d)OsHH) + group(Cds-OdCsH) + radical(ROOJ) +S(389) C 2H 3O 3 G 100.000 5000.000 1084.22 1 + 6.72138873E+00 1.63834905E-02-7.44566087E-06 1.42729712E-09-1.00408963E-13 2 +-1.28233351E+04-3.59365339E+00 2.63490520E+00 3.14597263E-02-2.83034062E-05 3 + 1.42523535E-08-3.05762103E-12-1.19372069E+04 1.64516983E+01 4 + +END + + + +REACTIONS KCAL/MOLE MOLES + +! Reaction index: Chemkin #1; RMG #2 +! Template reaction: R_Recombination +! Flux pairs: CH3(5), fuel(1); CH3(5), fuel(1); +! Matched reaction 9 CH3 + CH3 <=> C2H6 in R_Recombination/training +! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing] +! family: R_Recombination +CH3(5)+CH3(5)=fuel(1) 9.450000e+14 -0.538 0.135 + +! Reaction index: Chemkin #2; RMG #4 +! Template reaction: H_Abstraction +! Flux pairs: O2(2), HO2(8); fuel(1), C2H5(6); +! Matched reaction 214 C2H6 + O2 <=> C2H5b + HO2 in H_Abstraction/training +! This reaction matched rate rule [C/H3/Cs\H3;O2b] +! family: H_Abstraction +O2(2)+fuel(1)=HO2(8)+C2H5(6) 2.920000e+07 1.900 49.548 + +! Reaction index: Chemkin #3; RMG #8 +! Template reaction: R_Recombination +! Flux pairs: CH3O2(10), CH3(5); CH3O2(10), O2(2); +! Matched reaction 0 CH3O2 <=> O2 + CH3 in R_Recombination/training +! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_3R!H->O] +! family: R_Recombination +CH3O2(10)=O2(2)+CH3(5) 1.090000e+14 0.250 33.300 + +! Reaction index: Chemkin #4; RMG #19 +! Template reaction: R_Recombination +! Flux pairs: C2H5O2(17), C2H5(6); C2H5O2(17), O2(2); +! Matched reaction 1 C2H5O2 <=> O2 + C2H5 in R_Recombination/training +! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_2R->C] +! family: R_Recombination +C2H5O2(17)=O2(2)+C2H5(6) 9.490000e+21 -2.410 35.800 + +! Reaction index: Chemkin #5; RMG #17 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), C2H4(12); O2(2), HO2(8); +! Matched reaction 2 C2H5 + O2 <=> HO2 + C2H4 in Disproportionation/training +! This reaction matched rate rule [Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS] +! family: Disproportionation +O2(2)+C2H5(6)=HO2(8)+C2H4(12) 4.338000e+13 0.000 15.990 + +! Reaction index: Chemkin #6; RMG #28 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), C2H4(12); C2H5(6), fuel(1); +! Matched reaction 6 C2H5 + C2H5-2 <=> C2H6 + C2H4 in Disproportionation/training +! This reaction matched rate rule [Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C] +! family: Disproportionation +C2H5(6)+C2H5(6)=C2H4(12)+fuel(1) 6.900000e+13 -0.350 0.000 + +! Reaction index: Chemkin #7; RMG #57 +! Template reaction: HO2_Elimination_from_PeroxyRadical +! Flux pairs: C2H5O2(17), C2H4(12); C2H5O2(17), HO2(8); +! Matched reaction 2 C2H5O2 <=> C2H4 + HO2 in HO2_Elimination_from_PeroxyRadical/training +! This reaction matched rate rule [R2OO_2H_2H] +! family: HO2_Elimination_from_PeroxyRadical +C2H5O2(17)=HO2(8)+C2H4(12) 4.680000e+07 1.690 29.800 + +! Reaction index: Chemkin #8; RMG #3 +! Template reaction: R_Recombination +! Flux pairs: C2H5(6), fuel(1); H(7), fuel(1); +! Matched reaction 58 H + C2H5 <=> C2H6-2 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN] +! family: R_Recombination +H(7)+C2H5(6)=fuel(1) 1.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #9; RMG #12 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H4(12), C2H5(6); H(7), C2H5(6); +! Matched reaction 2541 H + C2H4 <=> C2H5-2 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-HH_Cds-HH;HJ] +! family: R_Addition_MultipleBond +H(7)+C2H4(12)=C2H5(6) 4.620000e+08 1.640 1.010 + +! Reaction index: Chemkin #10; RMG #15 +! Template reaction: R_Recombination +! Flux pairs: H(7), HO2(8); O2(2), HO2(8); +! Matched reaction 104 O2 + H <=> HO2-2 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O] +! family: R_Recombination +O2(2)+H(7)=HO2(8) 8.790000e+10 1.000 0.450 + +! Reaction index: Chemkin #11; RMG #6 +! Template reaction: H_Abstraction +! Flux pairs: CH3(5), C(4); fuel(1), C2H5(6); +! Matched reaction 215 C2H6 + CH3_r3 <=> C2H5b + CH4 in H_Abstraction/training +! This reaction matched rate rule [C/H3/Cs\H3;C_methyl] +! family: H_Abstraction +CH3(5)+fuel(1)=C(4)+C2H5(6) 3.500000e+01 3.440 10.384 + +! Reaction index: Chemkin #12; RMG #21 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), C2H4(12); CH3(5), C(4); +! Matched reaction 5 CH3_r1 + C2H5 <=> CH4 + C2H4 in Disproportionation/training +! This reaction matched rate rule [Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_2R!H->C] +! family: Disproportionation +CH3(5)+C2H5(6)=C(4)+C2H4(12) 6.570000e+14 -0.680 0.000 + +! Reaction index: Chemkin #13; RMG #26 +! Template reaction: H_Abstraction +! Flux pairs: C(4), CH3(5); O2(2), HO2(8); +! Matched reaction 190 CH4b + O2 <=> CH3_p1 + HO2 in H_Abstraction/training +! This reaction matched rate rule [Orad_O_H;C_methyl] +! family: H_Abstraction +! Ea raised from 216.4 to 220.2 kJ/mol to match endothermicity of reaction. +O2(2)+C(4)=HO2(8)+CH3(5) 2.030000e+05 2.745 52.640 + +! Reaction index: Chemkin #14; RMG #111 +! Template reaction: R_Recombination +! Flux pairs: H(7), C(4); CH3(5), C(4); +! Matched reaction 57 H + CH3 <=> CH4 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_N-2CNO->O] +! family: R_Recombination +H(7)+CH3(5)=C(4) 1.930000e+14 0.000 0.270 + +! Reaction index: Chemkin #15; RMG #39 +! Template reaction: intra_H_migration +! Flux pairs: CH3O2(10), HO(14); CH3O2(10), CH2O(26); +! From training reaction 240 used for R3H_SS_O;O_rad_out;Cs_H_out_2H +! Exact match found for rate rule [R3H_SS_O;O_rad_out;Cs_H_out_2H] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: intra_H_migration +CH3O2(10)=HO(14)+CH2O(26) 4.710000e+08 1.450 42.270 + +! Reaction index: Chemkin #16; RMG #125 +! Template reaction: H_Abstraction +! Flux pairs: HO(14), O(52); fuel(1), C2H5(6); +! Matched reaction 212 C2H6 + OH <=> C2H5b + H2O_p in H_Abstraction/training +! This reaction matched rate rule [C/H3/Cs\H3;O_pri_rad] +! family: H_Abstraction +HO(14)+fuel(1)=O(52)+C2H5(6) 1.610000e+06 2.224 0.741 + +! Reaction index: Chemkin #17; RMG #141 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), C2H4(12); HO(14), O(52); +! Matched reaction 13 HO + C2H5 <=> H2O + C2H4 in Disproportionation/training +! This reaction matched rate rule [Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C] +! family: Disproportionation +HO(14)+C2H5(6)=O(52)+C2H4(12) 7.230000e+13 0.000 0.000 + +! Reaction index: Chemkin #18; RMG #152 +! Template reaction: H_Abstraction +! Flux pairs: O(52), HO(14); O2(2), HO2(8); +! Matched reaction 378 H2O + O2 <=> HO2_r12 + OH_p23 in H_Abstraction/training +! This reaction matched rate rule [Orad_O_H;O_pri_rad] +! family: H_Abstraction +O2(2)+O(52)=HO(14)+HO2(8) 9.300000e+12 0.000 74.120 + +! Reaction index: Chemkin #19; RMG #190 +! Template reaction: R_Recombination +! Flux pairs: HO(14), O(52); H(7), O(52); +! Matched reaction 64 H + OH <=> H2O in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_2CNO->O] +! family: R_Recombination +H(7)+HO(14)=O(52) 1.620000e+14 0.000 0.150 + +! Reaction index: Chemkin #20; RMG #194 +! Template reaction: H_Abstraction +! Flux pairs: HO(14), O(52); C(4), CH3(5); +! Matched reaction 188 CH4b + OH <=> CH3_p1 + H2O_p in H_Abstraction/training +! This reaction matched rate rule [C_methane;O_pri_rad] +! family: H_Abstraction +HO(14)+C(4)=O(52)+CH3(5) 1.000000e+06 2.182 2.506 + +! Reaction index: Chemkin #21; RMG #16 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), OO(16); fuel(1), C2H5(6); +! Matched reaction 213 C2H6 + HO2_r3 <=> C2H5b + H2O2_p13 in H_Abstraction/training +! This reaction matched rate rule [C/H3/Cs\H3;O_rad/NonDeO] +! family: H_Abstraction +HO2(8)+fuel(1)=OO(16)+C2H5(6) 2.600000e+01 3.370 15.900 + +! Reaction index: Chemkin #22; RMG #31 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), C2H4(12); HO2(8), OO(16); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 +! Multiplied by reaction path degeneracy 3.0 +HO2(8)+C2H5(6)=OO(16)+C2H4(12) 1.253070e+08 1.719 0.000 + +! Reaction index: Chemkin #23; RMG #34 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), OO(16); HO2(8), O2(2); +! Matched reaction 404 HO2_r3 + HO2_r12 <=> H2O2 + O2 in H_Abstraction/training +! This reaction matched rate rule [Orad_O_H;O_rad/NonDeO] +! family: H_Abstraction +HO2(8)+HO2(8)=O2(2)+OO(16) 1.750000e+10 0.000 -3.275 + +! Reaction index: Chemkin #24; RMG #113 +! Template reaction: R_Recombination +! Flux pairs: H(7), OO(16); HO2(8), OO(16); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O +H(7)+HO2(8)=OO(16) 5.250690e+09 1.273 0.000 + +! Reaction index: Chemkin #25; RMG #118 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), OO(16); C(4), CH3(5); +! Matched reaction 189 CH4b + HO2_r3 <=> CH3_p1 + H2O2_p13 in H_Abstraction/training +! This reaction matched rate rule [C_methane;O_rad/NonDeO] +! family: H_Abstraction +HO2(8)+C(4)=OO(16)+CH3(5) 4.700000e+04 2.500 21.000 + +! Reaction index: Chemkin #26; RMG #198 +! Template reaction: R_Recombination +! Flux pairs: HO(14), OO(16); HO(14), OO(16); +! Matched reaction 96 OH + OH <=> H2O2 in R_Recombination/training +! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_1COS->O_N-2R->C] +! family: R_Recombination +HO(14)+HO(14)=OO(16) 7.850000e+12 0.000 0.000 + +! Reaction index: Chemkin #27; RMG #209 +! Template reaction: H_Abstraction +! Flux pairs: OO(16), HO2(8); HO(14), O(52); +! Estimated using average of templates [O/H/NonDeO;O_pri_rad] + [H2O2;O_rad] for rate rule [H2O2;O_pri_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HO(14)+OO(16)=HO2(8)+O(52) 4.994995e+05 1.927 6.325 + +! Reaction index: Chemkin #28; RMG #182 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: HO(14), C2H5O(72); C2H4(12), C2H5O(72); +! Matched reaction 2751 OH + C2H4 <=> C2H5O in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-HH_Cds-HH;OJ_pri] +! family: R_Addition_MultipleBond +HO(14)+C2H4(12)=C2H5O(72) 5.420000e+12 0.000 0.000 + +! Reaction index: Chemkin #29; RMG #62 +! Template reaction: intra_H_migration +! Flux pairs: C2H5O2(17), C2H5O2(36); +! Matched reaction 246 C2H5O2-3 <=> C2H5O2-4 in intra_H_migration/training +! This reaction matched rate rule [R4H_SSS_OCs;O_rad_out;Cs_H_out_2H] +! family: intra_H_migration +C2H5O2(17)=C2H5O2(36) 1.989000e+11 0.150 34.210 + +! Reaction index: Chemkin #30; RMG #99 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: HO2(8), C2H5O2(36); C2H4(12), C2H5O2(36); +! Matched reaction 2769 HO2 + C2H4 <=> C2H5O2 in R_Addition_MultipleBond/training +! This reaction matched rate rule [Cds-HH_Cds-HH;OJ-O2s] +! family: R_Addition_MultipleBond +HO2(8)+C2H4(12)=C2H5O2(36) 7.120000e+01 3.220 11.100 + +! Reaction index: Chemkin #31; RMG #266 +! Template reaction: Cyclic_Ether_Formation +! Flux pairs: C2H5O2(36), C1CO1(96); C2H5O2(36), HO(14); +! From training reaction 1 used for R2OO_S;C_pri_rad_intra;OOH +! Exact match found for rate rule [R2OO_S;C_pri_rad_intra;OOH] +! Euclidian distance = 0 +! family: Cyclic_Ether_Formation +C2H5O2(36)=HO(14)+C1CO1(96) 3.980000e+12 0.000 10.909 + +! Reaction index: Chemkin #32; RMG #222 +! Template reaction: R_Recombination +! Flux pairs: H(7), C2H5O(72); C2H4O(83), C2H5O(72); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_N-3R!H->O +H(7)+C2H4O(83)=C2H5O(72) 2.805150e+12 0.315 0.000 + +! Reaction index: Chemkin #33; RMG #229 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), O2(2); C2H4O(83), C2H5O(72); +! From training reaction 200 used for Orad_O_H;O_rad/NonDeC +! Exact match found for rate rule [Orad_O_H;O_rad/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(8)+C2H4O(83)=O2(2)+C2H5O(72) 1.400000e+11 0.000 0.000 + +! Reaction index: Chemkin #34; RMG #234 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), OO(16); C2H5O(72), C2H4O(83); +! From training reaction 198 used for O/H/NonDeC;O_rad/NonDeO +! Exact match found for rate rule [O/H/NonDeC;O_rad/NonDeO] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(8)+C2H5O(72)=OO(16)+C2H4O(83) 1.500000e-03 4.610 20.726 + +! Reaction index: Chemkin #35; RMG #238 +! Template reaction: Disproportionation +! Flux pairs: C2H4O(83), C2H5O(72); C2H5(6), C2H4(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C2H4O(83)+C2H5(6)=C2H4(12)+C2H5O(72) 7.230000e+13 0.000 0.000 + +! Reaction index: Chemkin #36; RMG #247 +! Template reaction: H_Abstraction +! Flux pairs: HO(14), O(52); C2H5O(72), C2H4O(83); +! From training reaction 196 used for O/H/NonDeC;O_pri_rad +! Exact match found for rate rule [O/H/NonDeC;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +HO(14)+C2H5O(72)=O(52)+C2H4O(83) 2.700000e+07 1.443 0.113 + +! Reaction index: Chemkin #37; RMG #268 +! Template reaction: R_Recombination +! Flux pairs: HO(14), C2H5O2(36); C2H4O(83), C2H5O2(36); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_N-3R!H->O +HO(14)+C2H4O(83)=C2H5O2(36) 1.210000e+13 -0.000 0.000 + +! Reaction index: Chemkin #38; RMG #280 +! Template reaction: Birad_recombination +! Flux pairs: C2H4O(83), C1CO1(96); +! Estimated from node Root_N-1R!H->C +C2H4O(83)=C1CO1(96) 2.180000e+16 0.000 0.000 + +! Reaction index: Chemkin #39; RMG #288 +! Template reaction: H_Abstraction +! Flux pairs: C(4), CH3(5); C2H4O(83), C2H5O(72); +! From training reaction 321 used for C_methane;O_rad/NonDeC +! Exact match found for rate rule [C_methane;O_rad/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(4)+C2H4O(83)=CH3(5)+C2H5O(72) 6.200000e-04 5.000 5.580 + +! Reaction index: Chemkin #40; RMG #220 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H4O(82), C2H5O(72); H(7), C2H5O(72); +! Estimated using an average for rate rule [Cds-OsH_Cds;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(7)+C2H4O(82)=C2H5O(72) 2.182000e+10 0.859 1.618 + +! Reaction index: Chemkin #41; RMG #227 +! Template reaction: Disproportionation +! Flux pairs: C2H5O(72), C2H4O(82); O2(2), HO2(8); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +O2(2)+C2H5O(72)=HO2(8)+C2H4O(82) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #42; RMG #231 +! Template reaction: Disproportionation +! Flux pairs: C2H5O(72), C2H4O(82); HO2(8), OO(16); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HO2(8)+C2H5O(72)=OO(16)+C2H4O(82) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #43; RMG #244 +! Template reaction: Disproportionation +! Flux pairs: C2H5O(72), C2H4O(82); HO(14), O(52); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HO(14)+C2H5O(72)=O(52)+C2H4O(82) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #44; RMG #285 +! Template reaction: Disproportionation +! Flux pairs: C2H5O(72), C2H4O(82); CH3(5), C(4); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH3(5)+C2H5O(72)=C(4)+C2H4O(82) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #45; RMG #307 +! Template reaction: Intra_Disproportionation +! Flux pairs: C2H4O(83), C2H4O(82); +! Estimated using an average for rate rule [R2radExo;Y_rad;XH_Rrad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: Intra_Disproportionation +C2H4O(83)=C2H4O(82) 3.898000e+11 0.486 5.464 + +! Reaction index: Chemkin #46; RMG #322 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), fuel(1); C2H5O(72), C2H4O(82); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +C2H5(6)+C2H5O(72)=C2H4O(82)+fuel(1) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #47; RMG #416 +! Template reaction: Disproportionation +! Flux pairs: C2H4O(83), C2H5O(72); C2H5O(72), C2H4O(82); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2H4O(83)+C2H5O(72)=C2H4O(82)+C2H5O(72) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #48; RMG #27 +! Template reaction: R_Recombination +! Flux pairs: HO2(8), COO(20); CH3(5), COO(20); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C +HO2(8)+CH3(5)=COO(20) 1.131090e+11 0.519 0.000 + +! Reaction index: Chemkin #49; RMG #40 +! Template reaction: H_Abstraction +! Flux pairs: CH3O2(10), COO(20); fuel(1), C2H5(6); +! Matched reaction 216 CH3O2 + C2H6 <=> CH3OOH_p + C2H5b in H_Abstraction/training +! This reaction matched rate rule [C/H3/Cs\H3;OOC] +! family: H_Abstraction +CH3O2(10)+fuel(1)=COO(20)+C2H5(6) 1.900000e+01 3.640 17.100 + +! Reaction index: Chemkin #50; RMG #46 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), C2H4(12); CH3O2(10), COO(20); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 +! Multiplied by reaction path degeneracy 3.0 +CH3O2(10)+C2H5(6)=COO(20)+C2H4(12) 1.253070e+08 1.719 0.000 + +! Reaction index: Chemkin #51; RMG #50 +! Template reaction: H_Abstraction +! Flux pairs: CH3O2(10), COO(20); HO2(8), O2(2); +! From training reaction 244 used for Orad_O_H;OOC +! Exact match found for rate rule [Orad_O_H;OOC] +! Euclidian distance = 0 +! family: H_Abstraction +! Ea raised from -8.2 to -8.2 kJ/mol. +HO2(8)+CH3O2(10)=O2(2)+COO(20) 1.200000e+11 0.000 -1.950 + +! Reaction index: Chemkin #52; RMG #115 +! Template reaction: R_Recombination +! Flux pairs: H(7), COO(20); CH3O2(10), COO(20); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O +H(7)+CH3O2(10)=COO(20) 5.250690e+09 1.273 0.000 + +! Reaction index: Chemkin #53; RMG #119 +! Template reaction: H_Abstraction +! Flux pairs: CH3O2(10), COO(20); C(4), CH3(5); +! Matched reaction 209 CH3O2 + CH4b <=> CH3OOH_p + CH3_p1 in H_Abstraction/training +! This reaction matched rate rule [C_methane;OOC] +! family: H_Abstraction +CH3O2(10)+C(4)=CH3(5)+COO(20) 4.450000e-03 4.691 19.868 + +! Reaction index: Chemkin #54; RMG #210 +! Template reaction: H_Abstraction +! Flux pairs: COO(20), CH3O2(10); HO(14), O(52); +! Matched reaction 206 CH4O2 + OH <=> CH3OO_p + H2O_p in H_Abstraction/training +! This reaction matched rate rule [O_pri;OOC] +! family: H_Abstraction +HO(14)+COO(20)=O(52)+CH3O2(10) 1.100000e+12 0.000 -0.437 + +! Reaction index: Chemkin #55; RMG #294 +! Template reaction: H_Abstraction +! Flux pairs: COO(20), CH3O2(10); HO2(8), OO(16); +! Matched reaction 208 CH4O2 + HO2_r3 <=> CH3OO_p + H2O2_p13 in H_Abstraction/training +! This reaction matched rate rule [H2O2;OOC] +! family: H_Abstraction +HO2(8)+COO(20)=OO(16)+CH3O2(10) 4.100000e+04 2.500 10.206 + +! Reaction index: Chemkin #56; RMG #456 +! Template reaction: Disproportionation +! Flux pairs: CH3O2(10), COO(20); C2H5O(72), C2H4O(82); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3O2(10)+C2H5O(72)=COO(20)+C2H4O(82) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #57; RMG #127 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), fuel(1); CH3O(24), CH2O(26); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(24)+C2H5(6)=CH2O(26)+fuel(1) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #58; RMG #156 +! Template reaction: Disproportionation +! Flux pairs: CH3O(24), CH2O(26); O2(2), HO2(8); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS +! Multiplied by reaction path degeneracy 6.0 +O2(2)+CH3O(24)=HO2(8)+CH2O(26) 4.338000e+13 0.000 10.573 + +! Reaction index: Chemkin #59; RMG #193 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(7), CH3O(24); CH2O(26), CH3O(24); +! Matched reaction 2820 H + CH2O <=> CH3O-3 in R_Addition_MultipleBond/training +! This reaction matched rate rule [CO-HH_O;HJ] +! family: R_Addition_MultipleBond +H(7)+CH2O(26)=CH3O(24) 6.310000e+07 1.800 4.000 + +! Reaction index: Chemkin #60; RMG #196 +! Template reaction: Disproportionation +! Flux pairs: CH3O(24), CH2O(26); CH3(5), C(4); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C +! Multiplied by reaction path degeneracy 3.0 +CH3(5)+CH3O(24)=CH2O(26)+C(4) 1.382520e+09 1.195 0.000 + +! Reaction index: Chemkin #61; RMG #215 +! Template reaction: Disproportionation +! Flux pairs: CH3O(24), CH2O(26); HO(14), O(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +HO(14)+CH3O(24)=O(52)+CH2O(26) 1.080000e+07 2.000 0.000 + +! Reaction index: Chemkin #62; RMG #217 +! Template reaction: Disproportionation +! Flux pairs: CH3O(24), CH2O(26); HO2(8), OO(16); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 +! Multiplied by reaction path degeneracy 3.0 +HO2(8)+CH3O(24)=OO(16)+CH2O(26) 1.253070e+08 1.719 0.000 + +! Reaction index: Chemkin #63; RMG #252 +! Template reaction: Disproportionation +! Flux pairs: C2H4O(83), C2H5O(72); CH3O(24), CH2O(26); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(24)+C2H4O(83)=CH2O(26)+C2H5O(72) 1.080000e+07 2.000 0.000 + +! Reaction index: Chemkin #64; RMG #445 +! Template reaction: R_Recombination +! Flux pairs: HO(14), COO(20); CH3O(24), COO(20); +! Matched reaction 103 OH + CH3O <=> CH4O2 in R_Recombination/training +! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_2OS->O] +! family: R_Recombination +HO(14)+CH3O(24)=COO(20) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #65; RMG #454 +! Template reaction: Disproportionation +! Flux pairs: CH3O2(10), COO(20); CH3O(24), CH2O(26); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 +! Multiplied by reaction path degeneracy 3.0 +CH3O(24)+CH3O2(10)=CH2O(26)+COO(20) 1.253070e+08 1.719 0.000 + +! Reaction index: Chemkin #66; RMG #87 +! Template reaction: R_Recombination +! Flux pairs: C2H3(42), C2H4(12); H(7), C2H4(12); +! Matched reaction 60 H + C2H3 <=> C2H4 in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O] +! family: R_Recombination +H(7)+C2H3(42)=C2H4(12) 1.210000e+14 0.000 0.000 + +! Reaction index: Chemkin #67; RMG #89 +! Template reaction: H_Abstraction +! Flux pairs: O2(2), HO2(8); C2H4(12), C2H3(42); +! Matched reaction 219 C2H4 + O2 <=> C2H3_p + HO2 in H_Abstraction/training +! This reaction matched rate rule [Cd/H2/NonDeC;O2b] +! family: H_Abstraction +O2(2)+C2H4(12)=HO2(8)+C2H3(42) 7.100000e+13 0.000 60.010 + +! Reaction index: Chemkin #68; RMG #92 +! Template reaction: H_Abstraction +! Flux pairs: C(4), CH3(5); C2H3(42), C2H4(12); +! Matched reaction 842 C2H3 + CH4b <=> C2H4 + CH3_p23 in H_Abstraction/training +! This reaction matched rate rule [Cd/H2/NonDeC;C_methyl] +! family: H_Abstraction +C(4)+C2H3(42)=CH3(5)+C2H4(12) 2.236000e-02 4.340 5.700 + +! Reaction index: Chemkin #69; RMG #96 +! Template reaction: H_Abstraction +! Flux pairs: fuel(1), C2H5(6); C2H3(42), C2H4(12); +! Matched reaction 774 C2H3 + C2H6 <=> C2H4 + C2H5 in H_Abstraction/training +! This reaction matched rate rule [Cd/H2/NonDeC;C_rad/H2/Cs\H3] +! family: H_Abstraction +C2H3(42)+fuel(1)=C2H4(12)+C2H5(6) 1.080000e-03 4.550 3.500 + +! Reaction index: Chemkin #70; RMG #98 +! Template reaction: H_Abstraction +! Flux pairs: OO(16), HO2(8); C2H3(42), C2H4(12); +! Matched reaction 434 H2O2 + C2H3 <=> C2H4 + HO2_r3 in H_Abstraction/training +! This reaction matched rate rule [Cd/H2/NonDeC;O_rad/NonDeO] +! family: H_Abstraction +OO(16)+C2H3(42)=HO2(8)+C2H4(12) 2.000000e+00 3.520 -7.480 + +! Reaction index: Chemkin #71; RMG #101 +! Template reaction: H_Abstraction +! Flux pairs: COO(20), CH3O2(10); C2H3(42), C2H4(12); +! Estimated using an average for rate rule [O/H/NonDeO;Cd_Cd\H2_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +COO(20)+C2H3(42)=CH3O2(10)+C2H4(12) 1.000000e+00 3.520 -7.480 + +! Reaction index: Chemkin #72; RMG #108 +! Template reaction: Disproportionation +! Flux pairs: C2H3(42), C2H4(12); C2H5(6), C2H4(12); +! Matched reaction 11 C2H3-2 + C2H5 <=> C2H4-2 + C2H4 in Disproportionation/training +! This reaction matched rate rule [Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_N-Sp-5CS-4CCNSS] +! family: Disproportionation +C2H3(42)+C2H5(6)=C2H4(12)+C2H4(12) 4.560000e+14 -0.700 0.000 + +! Reaction index: Chemkin #73; RMG #181 +! Template reaction: H_Abstraction +! Flux pairs: HO(14), O(52); C2H4(12), C2H3(42); +! Matched reaction 218 C2H4 + OH <=> C2H3_p + H2O_p in H_Abstraction/training +! This reaction matched rate rule [Cd/H2/NonDeC;O_pri_rad] +! family: H_Abstraction +HO(14)+C2H4(12)=O(52)+C2H3(42) 1.300000e-01 4.200 -0.860 + +! Reaction index: Chemkin #74; RMG #187 +! Template reaction: Disproportionation +! Flux pairs: C2H3(42), C2H4(12); CH3O(24), CH2O(26); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(24)+C2H3(42)=CH2O(26)+C2H4(12) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #75; RMG #316 +! Template reaction: R_Recombination +! Flux pairs: HO(14), C2H4O(82); C2H3(42), C2H4O(82); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R +HO(14)+C2H3(42)=C2H4O(82) 7.700000e+13 0.000 0.000 + +! Reaction index: Chemkin #76; RMG #373 +! Template reaction: Disproportionation +! Flux pairs: C2H3(42), C2H4O(82); C2H5O(72), C2H4(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +C2H3(42)+C2H5O(72)=C2H4(12)+C2H4O(82) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #77; RMG #471 +! Template reaction: R_Recombination +! Flux pairs: C2H3(42), S(166); O2(2), S(166); +! Matched reaction 116 O2 + C2H3 <=> C2H3O2 in R_Recombination/training +! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_N-4R!H->O] +! family: R_Recombination +O2(2)+C2H3(42)=S(166) 6.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #78; RMG #518 +! Template reaction: Intra_R_Add_Exocyclic +! Flux pairs: S(166), S(175); +! Estimated from node Backbone1 +S(166)=S(175) 3.365390e+09 0.841 14.357 + +! Reaction index: Chemkin #79; RMG #651 +! Template reaction: Birad_recombination +! Flux pairs: S(228), S(175); +! Estimated from node Root_N-1R!H->C +S(228)=S(175) 2.180000e+16 0.000 0.000 + +! Reaction index: Chemkin #80; RMG #725 +! Template reaction: Birad_recombination +! Flux pairs: S(228), S(256); +! Estimated from node Root_N-1R!H->C +! Multiplied by reaction path degeneracy 2.0 +S(228)=S(256) 4.360000e+16 0.000 0.000 + +! Reaction index: Chemkin #81; RMG #793 +! Template reaction: Intra_R_Add_Exocyclic +! Flux pairs: S(283), S(256); +! Estimated from node Backbone1 +S(283)=S(256) 3.365390e+09 0.841 30.289 + +! Reaction index: Chemkin #82; RMG #124 +! Template reaction: R_Recombination +! Flux pairs: CHO(51), CH2O(26); H(7), CH2O(26); +! Matched reaction 63 H + CHO <=> CH2O in R_Recombination/training +! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_3R!H->O] +! family: R_Recombination +H(7)+CHO(51)=CH2O(26) 4.680000e+10 0.000 -4.530 + +! Reaction index: Chemkin #83; RMG #130 +! Template reaction: H_Abstraction +! Flux pairs: O2(2), HO2(8); CH2O(26), CHO(51); +! Matched reaction 358 CH2O + O2 <=> HO2_r12 + HCO_r3 in H_Abstraction/training +! This reaction matched rate rule [CO_pri;O2b] +! family: H_Abstraction +O2(2)+CH2O(26)=HO2(8)+CHO(51) 9.360000e+07 2.050 37.930 + +! Reaction index: Chemkin #84; RMG #138 +! Template reaction: H_Abstraction +! Flux pairs: C(4), CH3(5); CHO(51), CH2O(26); +! Matched reaction 318 HCO_r3 + CH4b <=> CH2O + CH3_p1 in H_Abstraction/training +! This reaction matched rate rule [CO_pri;C_methyl] +! family: H_Abstraction +CHO(51)+C(4)=CH2O(26)+CH3(5) 7.280000e+03 2.850 34.250 + +! Reaction index: Chemkin #85; RMG #149 +! Template reaction: H_Abstraction +! Flux pairs: fuel(1), C2H5(6); CHO(51), CH2O(26); +! Matched reaction 325 HCO_r3 + C2H6 <=> CH2O + C2H5 in H_Abstraction/training +! This reaction matched rate rule [CO_pri;C_rad/H2/Cs\H3] +! family: H_Abstraction +CHO(51)+fuel(1)=CH2O(26)+C2H5(6) 4.692000e+04 2.720 38.240 + +! Reaction index: Chemkin #86; RMG #158 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), OO(16); CH2O(26), CHO(51); +! Matched reaction 369 HO2_r3 + CH2O <=> H2O2 + HCO_r3 in H_Abstraction/training +! This reaction matched rate rule [CO_pri;O_rad/NonDeO] +! family: H_Abstraction +HO2(8)+CH2O(26)=OO(16)+CHO(51) 4.120000e+04 2.500 10.210 + +! Reaction index: Chemkin #87; RMG #166 +! Template reaction: H_Abstraction +! Flux pairs: CH3O2(10), COO(20); CH2O(26), CHO(51); +! Estimated using template [CO_pri;O_rad/NonDeO] for rate rule [CO_pri;OOC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(26)+CH3O2(10)=CHO(51)+COO(20) 4.120000e+04 2.500 10.210 + +! Reaction index: Chemkin #88; RMG #188 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), C2H4(12); CHO(51), CH2O(26); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C +! Multiplied by reaction path degeneracy 3.0 +CHO(51)+C2H5(6)=CH2O(26)+C2H4(12) 8.670000e+12 0.000 0.000 + +! Reaction index: Chemkin #89; RMG #201 +! Template reaction: H_Abstraction +! Flux pairs: HO(14), O(52); CH2O(26), CHO(51); +! Matched reaction 367 OH_p23 + CH2O <=> H2O + HCO_r3 in H_Abstraction/training +! This reaction matched rate rule [CO_pri;O_pri_rad] +! family: H_Abstraction +HO(14)+CH2O(26)=O(52)+CHO(51) 3.440000e+09 1.180 -0.450 + +! Reaction index: Chemkin #90; RMG #208 +! Template reaction: Disproportionation +! Flux pairs: CH3O(24), CH2O(26); CHO(51), CH2O(26); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CHO(51)+CH3O(24)=CH2O(26)+CH2O(26) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #91; RMG #398 +! Template reaction: Disproportionation +! Flux pairs: CHO(51), C2H4O(82); C2H5O(72), CH2O(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CHO(51)+C2H5O(72)=CH2O(26)+C2H4O(82) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #92; RMG #492 +! Template reaction: H_Abstraction +! Flux pairs: C2H3(42), C2H4(12); CH2O(26), CHO(51); +! Matched reaction 365 C2H3 + CH2O <=> C2H4 + HCO_r3 in H_Abstraction/training +! This reaction matched rate rule [CO_pri;Cd_Cd\H2_pri_rad] +! family: H_Abstraction +CH2O(26)+C2H3(42)=CHO(51)+C2H4(12) 5.420000e+03 2.810 5.860 + +! Reaction index: Chemkin #93; RMG #882 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH2O(26), S(283); CHO(51), S(283); +! Estimated using average of templates [R_R;CO_pri_rad] + [Od_CO-HH;YJ] for rate rule [Od_CO-HH;CO_pri_rad] +! Euclidian distance = 3.0 +! family: R_Addition_MultipleBond +CHO(51)+CH2O(26)=S(283) 3.480805e+07 1.585 14.575 + +! Reaction index: Chemkin #94; RMG #1052 +! Template reaction: R_Addition_COm +! Flux pairs: CO(50), CHO(51); H(7), CHO(51); +! Matched reaction 4 H + CO <=> CHO in R_Addition_COm/training +! This reaction matched rate rule [COm;H_rad] +! family: R_Addition_COm +H(7)+CO(50)=CHO(51) 1.180000e+11 0.000 2.720 + +! Reaction index: Chemkin #95; RMG #1054 +! Template reaction: CO_Disproportionation +! Flux pairs: CHO(51), CO(50); O2(2), HO2(8); +! Matched reaction 2 HCO + O2 <=> CO + HO2 in CO_Disproportionation/training +! This reaction matched rate rule [Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_N-4CO->C] +! family: CO_Disproportionation +O2(2)+CHO(51)=HO2(8)+CO(50) 5.120000e+13 0.000 1.690 + +! Reaction index: Chemkin #96; RMG #1057 +! Template reaction: CO_Disproportionation +! Flux pairs: CHO(51), CO(50); HO2(8), OO(16); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_N-4CO->C +HO2(8)+CHO(51)=OO(16)+CO(50) 5.120000e+13 0.000 0.000 + +! Reaction index: Chemkin #97; RMG #1083 +! Template reaction: CO_Disproportionation +! Flux pairs: CHO(51), CO(50); CHO(51), CH2O(26); +! Matched reaction 5 HCO + HCO_Y <=> CO + CH2O in CO_Disproportionation/training +! This reaction matched rate rule [Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C_N-Sp-5O-4C] +! family: CO_Disproportionation +CHO(51)+CHO(51)=CO(50)+CH2O(26) 1.800000e+13 0.000 0.000 + +! Reaction index: Chemkin #98; RMG #1089 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H5(6), fuel(1); CHO(51), CO(50); +! Matched reaction 12 C2H5 + HCO <=> C2H6 + CO in CO_Disproportionation/training +! This reaction matched rate rule [Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_4CO->C] +! family: CO_Disproportionation +CHO(51)+C2H5(6)=CO(50)+fuel(1) 4.300000e+13 0.000 0.000 + +! Reaction index: Chemkin #99; RMG #1109 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H3(42), C2H4(12); CHO(51), CO(50); +! Matched reaction 6 HCO + C2H3 <=> CO + C2H4 in CO_Disproportionation/training +! This reaction matched rate rule [Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_N-Sp-5C-4CO] +! family: CO_Disproportionation +CHO(51)+C2H3(42)=CO(50)+C2H4(12) 9.033000e+13 0.000 0.000 + +! Reaction index: Chemkin #100; RMG #1111 +! Template reaction: CO_Disproportionation +! Flux pairs: CH3(5), C(4); CHO(51), CO(50); +! Matched reaction 3 HCO + CH3 <=> CO + CH4 in CO_Disproportionation/training +! This reaction matched rate rule [Root_N-4R->N_N-4BrCClFHIOPSSi->H_4CO->C] +! family: CO_Disproportionation +CHO(51)+CH3(5)=CO(50)+C(4) 4.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #101; RMG #1116 +! Template reaction: CO_Disproportionation +! Flux pairs: HO(14), O(52); CHO(51), CO(50); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_N-4CO->C +HO(14)+CHO(51)=O(52)+CO(50) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #102; RMG #1120 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H4O(83), C2H5O(72); CHO(51), CO(50); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +CHO(51)+C2H4O(83)=CO(50)+C2H5O(72) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #103; RMG #33 +! Template reaction: R_Recombination +! Flux pairs: HO2(8), CCOO(22); C2H5(6), CCOO(22); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R +HO2(8)+C2H5(6)=CCOO(22) 1.367450e+13 -0.264 0.000 + +! Reaction index: Chemkin #104; RMG #63 +! Template reaction: H_Abstraction +! Flux pairs: CCOO(22), C2H5O2(17); C2H5(6), fuel(1); +! Matched reaction 452 C2H6O2 + C2H5 <=> C2H6 + CH3CH2OO_r3 in H_Abstraction/training +! This reaction matched rate rule [C/H3/Cs\H3;OOC] +! family: H_Abstraction +C2H5(6)+CCOO(22)=C2H5O2(17)+fuel(1) 2.510000e-11 6.770 -8.600 + +! Reaction index: Chemkin #105; RMG #71 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), C2H4(12); C2H5O2(17), CCOO(22); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 +! Multiplied by reaction path degeneracy 3.0 +C2H5(6)+C2H5O2(17)=C2H4(12)+CCOO(22) 1.253070e+08 1.719 0.000 + +! Reaction index: Chemkin #106; RMG #76 +! Template reaction: H_Abstraction +! Flux pairs: C2H5O2(17), CCOO(22); HO2(8), O2(2); +! Matched reaction 243 CH3CH2OO_r3 + HO2_r12 <=> CH3CH2OOH_p + O2 in H_Abstraction/training +! This reaction matched rate rule [Orad_O_H;OOC] +! family: H_Abstraction +HO2(8)+C2H5O2(17)=O2(2)+CCOO(22) 4.500000e+11 0.000 -1.391 + +! Reaction index: Chemkin #107; RMG #105 +! Template reaction: H_Abstraction +! Flux pairs: CCOO(22), C2H5O2(17); C2H3(42), C2H4(12); +! Estimated using template [O/H/NonDeO;Cd_Cd\H2_pri_rad] for rate rule [ROOH_pri;Cd_Cd\H2_pri_rad] +! Euclidian distance = 1.0 +! family: H_Abstraction +C2H3(42)+CCOO(22)=C2H4(12)+C2H5O2(17) 1.000000e+00 3.520 -7.480 + +! Reaction index: Chemkin #108; RMG #120 +! Template reaction: H_Abstraction +! Flux pairs: C2H5O2(17), CCOO(22); C(4), CH3(5); +! From training reaction 209 used for C_methane;OOC +! Exact match found for rate rule [C_methane;OOC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C(4)+C2H5O2(17)=CH3(5)+CCOO(22) 4.450000e-03 4.691 19.868 + +! Reaction index: Chemkin #109; RMG #177 +! Template reaction: H_Abstraction +! Flux pairs: C2H5O2(17), CCOO(22); CH2O(26), CHO(51); +! Estimated using template [CO_pri;O_rad/NonDeO] for rate rule [CO_pri;OOC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(26)+C2H5O2(17)=CHO(51)+CCOO(22) 4.120000e+04 2.500 10.210 + +! Reaction index: Chemkin #110; RMG #211 +! Template reaction: H_Abstraction +! Flux pairs: CCOO(22), C2H5O2(17); HO(14), O(52); +! Estimated using template [O/H/NonDeO;O_pri_rad] for rate rule [ROOH_pri;O_pri_rad] +! Euclidian distance = 1.0 +! family: H_Abstraction +! Ea raised from -1.8 to -1.8 kJ/mol. +HO(14)+CCOO(22)=O(52)+C2H5O2(17) 1.100000e+12 0.000 -0.437 + +! Reaction index: Chemkin #111; RMG #1101 +! Template reaction: H_Abstraction +! Flux pairs: C2H5O2(17), CCOO(22); OO(16), HO2(8); +! From training reaction 37 used for H2O2;OOC +! Exact match found for rate rule [H2O2;OOC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OO(16)+C2H5O2(17)=HO2(8)+CCOO(22) 1.840000e-01 3.960 6.630 + +! Reaction index: Chemkin #112; RMG #1146 +! Template reaction: R_Recombination +! Flux pairs: H(7), CCOO(22); C2H5O2(17), CCOO(22); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O +H(7)+C2H5O2(17)=CCOO(22) 5.250690e+09 1.273 0.000 + +! Reaction index: Chemkin #113; RMG #1149 +! Template reaction: R_Recombination +! Flux pairs: C2H5O2(36), CCOO(22); H(7), CCOO(22); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN +H(7)+C2H5O2(36)=CCOO(22) 7.828670e+13 0.063 0.000 + +! Reaction index: Chemkin #114; RMG #1151 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), O2(2); C2H5O2(36), CCOO(22); +! Estimated using template [X_H;C_rad/H2/Cs] for rate rule [Orad_O_H;C_rad/H2/Cs] +! Euclidian distance = 2.0 +! family: H_Abstraction +HO2(8)+C2H5O2(36)=O2(2)+CCOO(22) 3.062323e+00 3.295 9.354 + +! Reaction index: Chemkin #115; RMG #1153 +! Template reaction: H_Abstraction +! Flux pairs: fuel(1), C2H5(6); C2H5O2(36), CCOO(22); +! Estimated using an average for rate rule [C/H3/Cs\H3;C_rad/H2/Cs] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +C2H5O2(36)+fuel(1)=C2H5(6)+CCOO(22) 3.260601e-04 4.810 8.490 + +! Reaction index: Chemkin #116; RMG #1155 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), OO(16); CCOO(22), C2H5O2(36); +! From training reaction 229 used for C/H3/Cs\H2\O;O_rad/NonDeO +! Exact match found for rate rule [C/H3/Cs\H2\O;O_rad/NonDeO] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +HO2(8)+CCOO(22)=OO(16)+C2H5O2(36) 1.200000e+04 2.550 18.130 + +! Reaction index: Chemkin #117; RMG #1157 +! Template reaction: H_Abstraction +! Flux pairs: CCOO(22), C2H5O2(17); C2H5O2(36), CCOO(22); +! Estimated using an average for rate rule [ROOH_pri;C_rad/H2/Cs] +! Euclidian distance = 0 +! family: H_Abstraction +! Ea raised from -36.0 to -36.0 kJ/mol. +C2H5O2(36)+CCOO(22)=C2H5O2(17)+CCOO(22) 2.510000e-11 6.770 -8.600 + +! Reaction index: Chemkin #118; RMG #1159 +! Template reaction: Disproportionation +! Flux pairs: C2H5O2(36), CCOO(22); C2H5(6), C2H4(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R +! Multiplied by reaction path degeneracy 3.0 +C2H5(6)+C2H5O2(36)=C2H4(12)+CCOO(22) 6.870000e+13 -0.350 0.000 + +! Reaction index: Chemkin #119; RMG #1161 +! Template reaction: H_Abstraction +! Flux pairs: HO(14), O(52); CCOO(22), C2H5O2(36); +! From training reaction 227 used for C/H3/Cs\H2\O;O_pri_rad +! Exact match found for rate rule [C/H3/Cs\H2\O;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +HO(14)+CCOO(22)=O(52)+C2H5O2(36) 9.400000e+03 2.670 -1.004 + +! Reaction index: Chemkin #120; RMG #1165 +! Template reaction: Disproportionation +! Flux pairs: C2H5O2(17), CCOO(22); CH3O(24), CH2O(26); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 +! Multiplied by reaction path degeneracy 3.0 +CH3O(24)+C2H5O2(17)=CH2O(26)+CCOO(22) 1.253070e+08 1.719 0.000 + +! Reaction index: Chemkin #121; RMG #1167 +! Template reaction: Disproportionation +! Flux pairs: C2H5O2(36), CCOO(22); CH3O(24), CH2O(26); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(24)+C2H5O2(36)=CH2O(26)+CCOO(22) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #122; RMG #1171 +! Template reaction: Disproportionation +! Flux pairs: C2H5O2(17), CCOO(22); C2H5O(72), C2H4O(82); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2H5O(72)+C2H5O2(17)=C2H4O(82)+CCOO(22) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #123; RMG #1173 +! Template reaction: Disproportionation +! Flux pairs: C2H5O2(36), CCOO(22); C2H5O(72), C2H4O(82); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +C2H5O(72)+C2H5O2(36)=C2H4O(82)+CCOO(22) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #124; RMG #1181 +! Template reaction: H_Abstraction +! Flux pairs: C2H3(42), C2H4(12); CCOO(22), C2H5O2(36); +! Estimated using template [C/H3/Cs;Cd_Cd\H2_pri_rad] for rate rule [C/H3/Cs\H2\O;Cd_Cd\H2_pri_rad] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +C2H3(42)+CCOO(22)=C2H4(12)+C2H5O2(36) 5.400000e-04 4.550 3.500 + +! Reaction index: Chemkin #125; RMG #1186 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H5O2(17), CCOO(22); CHO(51), CO(50); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_N-4CO->C +CHO(51)+C2H5O2(17)=CO(50)+CCOO(22) 5.120000e+13 0.000 0.000 + +! Reaction index: Chemkin #126; RMG #1188 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H5O2(36), CCOO(22); CHO(51), CO(50); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_4CO->C_Ext-5C-R +CHO(51)+C2H5O2(36)=CO(50)+CCOO(22) 6.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #127; RMG #140 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CH3(5), C2H5O(32); CH2O(26), C2H5O(32); +! Matched reaction 2817 CH2O + CH3 <=> C2H5O-2 in R_Addition_MultipleBond/training +! This reaction matched rate rule [CO-HH_O;CsJ-HHH] +! family: R_Addition_MultipleBond +CH2O(26)+CH3(5)=C2H5O(32) 2.160000e+02 2.970 3.800 + +! Reaction index: Chemkin #128; RMG #225 +! Template reaction: intra_H_migration +! Flux pairs: C2H5O(32), C2H5O(72); +! Estimated using average of templates [R3H_SS;O_rad_out;Cs_H_out_2H] + [R3H_SS_Cs;Y_rad_out;Cs_H_out_2H] + [R3H_SS_Cs;O_rad_out;Cs_H_out] for rate rule +! [R3H_SS_Cs;O_rad_out;Cs_H_out_2H] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: intra_H_migration +C2H5O(32)=C2H5O(72) 6.243359e+04 2.544 33.145 + +! Reaction index: Chemkin #129; RMG #1145 +! Template reaction: R_Recombination +! Flux pairs: HO(14), CCOO(22); C2H5O(32), CCOO(22); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_2OS->O +HO(14)+C2H5O(32)=CCOO(22) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #130; RMG #1193 +! Template reaction: R_Recombination +! Flux pairs: C2H4O(83), C2H5O(32); H(7), C2H5O(32); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_N-3R!H->O +H(7)+C2H4O(83)=C2H5O(32) 2.805150e+12 0.315 0.000 + +! Reaction index: Chemkin #131; RMG #1209 +! Template reaction: CO_Disproportionation +! Flux pairs: CH3O2(10), COO(20); CHO(51), CO(50); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_N-4CO->C +CHO(51)+CH3O2(10)=CO(50)+COO(20) 5.120000e+13 0.000 0.000 + +! Reaction index: Chemkin #132; RMG #230 +! Template reaction: R_Recombination +! Flux pairs: C2H5O(72), C2H5O3(86); O2(2), C2H5O3(86); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2(2)+C2H5O(72)=C2H5O3(86) 2.032620e+11 0.353 0.000 + +! Reaction index: Chemkin #133; RMG #347 +! Template reaction: HO2_Elimination_from_PeroxyRadical +! Flux pairs: C2H5O3(86), HO2(8); C2H5O3(86), C2H4O(82); +! From training reaction 3 used for R2OO_HNd_2H +! Exact match found for rate rule [R2OO_HNd_2H] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: HO2_Elimination_from_PeroxyRadical +C2H5O3(86)=HO2(8)+C2H4O(82) 9.580000e+07 1.460 29.400 + +! Reaction index: Chemkin #134; RMG #586 +! Template reaction: 1,3_Insertion_ROR +! Flux pairs: O(52), C2H5O3(86); S(166), C2H5O3(86); +! From training reaction 8 used for Cd/H/Nd_Cd/H2;H_OH +! Exact match found for rate rule [Cd/H/Nd_Cd/H2;H_OH] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: 1,3_Insertion_ROR +O(52)+S(166)=C2H5O3(86) 4.540000e+02 2.740 56.900 + +! Reaction index: Chemkin #135; RMG #1056 +! Template reaction: R_Recombination +! Flux pairs: CHO(51), CHO3(378); O2(2), CHO3(378); +! Matched reaction 119 O2 + CHO <=> CHO3 in R_Recombination/training +! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_4R!H->O] +! family: R_Recombination +O2(2)+CHO(51)=CHO3(378) 7.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #136; RMG #1096 +! Template reaction: 1,2_Insertion_CO +! Flux pairs: HO2(8), CHO3(378); CO(50), CHO3(378); +! Estimated using an average for rate rule [CO;R_H] +! Euclidian distance = 0 +! family: 1,2_Insertion_CO +HO2(8)+CO(50)=CHO3(378) 5.919848e+04 2.368 72.970 + +! Reaction index: Chemkin #137; RMG #792 +! Template reaction: Intra_R_Add_Exocyclic +! Flux pairs: S(282), S(256); +! Estimated from node Backbone1 +S(282)=S(256) 3.365390e+09 0.841 13.924 + +! Reaction index: Chemkin #138; RMG #1068 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CHO(51), S(282); CH2O(26), S(282); +! Matched reaction 2757 CHO + CH2O <=> C2H3O2 in R_Addition_MultipleBond/training +! This reaction matched rate rule [CO-HH_O;CO_pri_rad] +! family: R_Addition_MultipleBond +CHO(51)+CH2O(26)=S(282) 5.200000e+11 0.000 22.450 + +! Reaction index: Chemkin #139; RMG #1211 +! Template reaction: 1,2_Insertion_CO +! Flux pairs: CH3O(24), S(282); CO(50), S(282); +! Estimated using an average for rate rule [CO;R_H] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: 1,2_Insertion_CO +CO(50)+CH3O(24)=S(282) 1.775954e+05 2.368 72.970 + +! Reaction index: Chemkin #140; RMG #282 +! Template reaction: R_Recombination +! Flux pairs: C2H3O(103), C1CO1(96); H(7), C1CO1(96); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing +H(7)+C2H3O(103)=C1CO1(96) 2.439960e+13 0.071 0.000 + +! Reaction index: Chemkin #141; RMG #284 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), O2(2); C2H3O(103), C1CO1(96); +! Estimated using template [X_H;C_rad/H/CsO] for rate rule [Orad_O_H;C_rad/H/CsO] +! Euclidian distance = 2.0 +! family: H_Abstraction +HO2(8)+C2H3O(103)=O2(2)+C1CO1(96) 2.641929e-03 4.194 2.536 + +! Reaction index: Chemkin #142; RMG #290 +! Template reaction: H_Abstraction +! Flux pairs: CH3(5), C(4); C1CO1(96), C2H3O(103); +! From training reaction 231 used for C/H2/CsO;C_methyl +! Exact match found for rate rule [C/H2/CsO;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CH3(5)+C1CO1(96)=C(4)+C2H3O(103) 4.000000e+01 3.370 7.630 + +! Reaction index: Chemkin #143; RMG #291 +! Template reaction: H_Abstraction +! Flux pairs: C2H5(6), fuel(1); C1CO1(96), C2H3O(103); +! Estimated using an average for rate rule [C/H2/CsO;C_rad/H2/Cs\H3] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C1CO1(96)+C2H5(6)=C2H3O(103)+fuel(1) 1.700000e-05 5.010 5.010 + +! Reaction index: Chemkin #144; RMG #293 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), OO(16); C1CO1(96), C2H3O(103); +! From training reaction 228 used for C/H2/CsO;O_rad/NonDeO +! Exact match found for rate rule [C/H2/CsO;O_rad/NonDeO] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +HO2(8)+C1CO1(96)=OO(16)+C2H3O(103) 1.640000e+04 2.550 10.950 + +! Reaction index: Chemkin #145; RMG #296 +! Template reaction: H_Abstraction +! Flux pairs: COO(20), CH3O2(10); C2H3O(103), C1CO1(96); +! Estimated using an average for rate rule [O/H/NonDeO;C_rad/H/CsO] +! Euclidian distance = 0 +! family: H_Abstraction +COO(20)+C2H3O(103)=CH3O2(10)+C1CO1(96) 6.505575e+00 3.215 1.574 + +! Reaction index: Chemkin #146; RMG #298 +! Template reaction: H_Abstraction +! Flux pairs: CCOO(22), C2H5O2(17); C2H3O(103), C1CO1(96); +! Estimated using template [O/H/NonDeO;C_rad/H/CsO] for rate rule [ROOH_pri;C_rad/H/CsO] +! Euclidian distance = 1.0 +! family: H_Abstraction +C2H3O(103)+CCOO(22)=C1CO1(96)+C2H5O2(17) 6.505575e+00 3.215 1.574 + +! Reaction index: Chemkin #147; RMG #299 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(103), C1CO1(96); C2H5(6), C2H4(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O +! Multiplied by reaction path degeneracy 3.0 +C2H3O(103)+C2H5(6)=C2H4(12)+C1CO1(96) 1.003380e+09 1.277 0.000 + +! Reaction index: Chemkin #148; RMG #300 +! Template reaction: H_Abstraction +! Flux pairs: HO(14), O(52); C1CO1(96), C2H3O(103); +! From training reaction 226 used for C/H2/CsO;O_pri_rad +! Exact match found for rate rule [C/H2/CsO;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +HO(14)+C1CO1(96)=O(52)+C2H3O(103) 9.000000e+02 3.110 -2.666 + +! Reaction index: Chemkin #149; RMG #302 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(103), C1CO1(96); CH3O(24), CH2O(26); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(24)+C2H3O(103)=CH2O(26)+C1CO1(96) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #150; RMG #427 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(103), C1CO1(96); C2H5O(72), C2H4O(82); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +C2H3O(103)+C2H5O(72)=C1CO1(96)+C2H4O(82) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #151; RMG #498 +! Template reaction: H_Abstraction +! Flux pairs: C2H3(42), C2H4(12); C1CO1(96), C2H3O(103); +! From training reaction 775 used for C/H2/CsO;Cd_Cd\H2_pri_rad +! Exact match found for rate rule [C/H2/CsO;Cd_Cd\H2_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C2H3(42)+C1CO1(96)=C2H3O(103)+C2H4(12) 1.040000e-01 3.900 0.860 + +! Reaction index: Chemkin #152; RMG #1072 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(26), CHO(51); C2H3O(103), C1CO1(96); +! Estimated using average of templates [X_H;C_rad/H/CsO] + [CO_pri;C_sec_rad] for rate rule [CO_pri;C_rad/H/CsO] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(26)+C2H3O(103)=CHO(51)+C1CO1(96) 2.388842e+04 2.097 4.748 + +! Reaction index: Chemkin #153; RMG #1125 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H3O(103), C1CO1(96); CHO(51), CO(50); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_4CO->C_Ext-5C-R +CHO(51)+C2H3O(103)=CO(50)+C1CO1(96) 6.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #154; RMG #1360 +! Template reaction: H_Abstraction +! Flux pairs: C1CO1(96), C2H3O(103); C2H4O(83), C2H5O(72); +! Estimated using template [C/H2/CsO;O_sec_rad] for rate rule [C/H2/CsO;O_rad/NonDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +C1CO1(96)+C2H4O(83)=C2H3O(103)+C2H5O(72) 1.640000e+04 2.550 10.750 + +! Reaction index: Chemkin #155; RMG #309 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: C2H3O(111), C2H4O(83); H(7), C2H4O(83); +! Matched reaction 2811 H + C2H3O-6 <=> C2H4O-4 in R_Addition_MultipleBond/training +! This reaction matched rate rule [CO_O;HJ] +! family: R_Addition_MultipleBond +H(7)+C2H3O(111)=C2H4O(83) 6.500000e+06 1.860 6.600 + +! Reaction index: Chemkin #156; RMG #317 +! Template reaction: R_Recombination +! Flux pairs: H(7), C2H4O(82); C2H3O(111), C2H4O(82); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_N-3R!H->O +H(7)+C2H3O(111)=C2H4O(82) 2.805150e+12 0.315 0.000 + +! Reaction index: Chemkin #157; RMG #324 +! Template reaction: H_Abstraction +! Flux pairs: HO2(8), O2(2); C2H3O(111), C2H4O(82); +! Estimated using template [X_H;O_rad/Cd\H_Cd\H2] for rate rule [Orad_O_H;O_rad/Cd\H_Cd\H2] +! Euclidian distance = 2.0 +! family: H_Abstraction +HO2(8)+C2H3O(111)=O2(2)+C2H4O(82) 8.567088e-03 4.055 26.439 + +! Reaction index: Chemkin #158; RMG #331 +! Template reaction: H_Abstraction +! Flux pairs: CH3(5), C(4); C2H4O(82), C2H3O(111); +! Matched reaction 693 C2H4O-2 + CH3_r3 <=> CH4p + C2H3O-3 in H_Abstraction/training +! This reaction matched rate rule [O/H/OneDeC;C_methyl] +! family: H_Abstraction +CH3(5)+C2H4O(82)=C(4)+C2H3O(111) 8.200000e+05 1.870 6.620 + +! Reaction index: Chemkin #159; RMG #340 +! Template reaction: H_Abstraction +! Flux pairs: C2H5(6), fuel(1); C2H4O(82), C2H3O(111); +! Estimated using average of templates [O_sec;C_rad/H2/Cs\H3] + [O/H/OneDeC;C_pri_rad] for rate rule [O/H/OneDeC;C_rad/H2/Cs\H3] +! Euclidian distance = 2.0 +! family: H_Abstraction +C2H4O(82)+C2H5(6)=C2H3O(111)+fuel(1) 2.779717e-03 4.299 4.489 + +! Reaction index: Chemkin #160; RMG #348 +! Template reaction: H_Abstraction +! Flux pairs: OO(16), HO2(8); C2H3O(111), C2H4O(82); +! Matched reaction 438 H2O2 + C2H3O-3 <=> C2H4O-2 + HO2_r3 in H_Abstraction/training +! This reaction matched rate rule [O/H/OneDeC;O_rad/NonDeO] +! family: H_Abstraction +OO(16)+C2H3O(111)=HO2(8)+C2H4O(82) 6.990000e-02 3.750 28.199 + +! Reaction index: Chemkin #161; RMG #355 +! Template reaction: H_Abstraction +! Flux pairs: CH3O2(10), COO(20); C2H4O(82), C2H3O(111); +! Estimated using template [O_sec;OOC] for rate rule [O/H/OneDeC;OOC] +! Euclidian distance = 2.0 +! family: H_Abstraction +CH3O2(10)+C2H4O(82)=COO(20)+C2H3O(111) 9.200000e-02 3.960 6.630 + +! Reaction index: Chemkin #162; RMG #364 +! Template reaction: H_Abstraction +! Flux pairs: C2H5O2(17), CCOO(22); C2H4O(82), C2H3O(111); +! Estimated using template [O_sec;OOC] for rate rule [O/H/OneDeC;OOC] +! Euclidian distance = 2.0 +! family: H_Abstraction +C2H4O(82)+C2H5O2(17)=C2H3O(111)+CCOO(22) 9.200000e-02 3.960 6.630 + +! Reaction index: Chemkin #163; RMG #375 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(111), C2H4O(82); C2H5(6), C2H4(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +C2H3O(111)+C2H5(6)=C2H4(12)+C2H4O(82) 7.230000e+13 0.000 0.301 + +! Reaction index: Chemkin #164; RMG #387 +! Template reaction: H_Abstraction +! Flux pairs: HO(14), O(52); C2H4O(82), C2H3O(111); +! Matched reaction 692 OH + C2H4O-2 <=> H2O_p + C2H3O-3 in H_Abstraction/training +! This reaction matched rate rule [O/H/OneDeC;O_pri_rad] +! family: H_Abstraction +HO(14)+C2H4O(82)=O(52)+C2H3O(111) 1.200000e+06 2.000 -0.250 + +! Reaction index: Chemkin #165; RMG #403 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(111), C2H4O(82); CH3O(24), CH2O(26); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(24)+C2H3O(111)=CH2O(26)+C2H4O(82) 1.080000e+07 2.000 0.000 + +! Reaction index: Chemkin #166; RMG #436 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(111), C2H4O(82); C2H5O(72), C2H4O(82); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O(111)+C2H5O(72)=C2H4O(82)+C2H4O(82) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #167; RMG #506 +! Template reaction: H_Abstraction +! Flux pairs: C2H3(42), C2H4(12); C2H4O(82), C2H3O(111); +! Estimated using template [O_sec;Cd_Cd\H2_pri_rad] for rate rule [O/H/OneDeC;Cd_Cd\H2_pri_rad] +! Euclidian distance = 2.0 +! family: H_Abstraction +C2H3(42)+C2H4O(82)=C2H3O(111)+C2H4(12) 3.794733e+00 3.310 -0.270 + +! Reaction index: Chemkin #168; RMG #1078 +! Template reaction: H_Abstraction +! Flux pairs: CHO(51), CH2O(26); C2H4O(82), C2H3O(111); +! Estimated using template [O/H/OneDeC;Y_rad] for rate rule [O/H/OneDeC;CO_pri_rad] +! Euclidian distance = 2.0 +! family: H_Abstraction +CHO(51)+C2H4O(82)=CH2O(26)+C2H3O(111) 5.435682e+03 2.704 5.226 + +! Reaction index: Chemkin #169; RMG #1129 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H3O(111), C2H4O(82); CHO(51), CO(50); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +CHO(51)+C2H3O(111)=CO(50)+C2H4O(82) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #170; RMG #1311 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: C2H3O(111), C2H3O(103); +! Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H +C2H3O(111)=C2H3O(103) 6.951870e+18 -1.628 46.539 + +! Reaction index: Chemkin #171; RMG #1367 +! Template reaction: H_Abstraction +! Flux pairs: C2H3O(103), C1CO1(96); C2H4O(82), C2H3O(111); +! Estimated using template [O_sec;C_rad/H/CsO] for rate rule [O/H/OneDeC;C_rad/H/CsO] +! Euclidian distance = 2.0 +! family: H_Abstraction +C2H3O(103)+C2H4O(82)=C2H3O(111)+C1CO1(96) 3.108179e+00 3.303 1.487 + +! Reaction index: Chemkin #172; RMG #1393 +! Template reaction: Disproportionation +! Flux pairs: C2H5(6), fuel(1); C2H4O(83), C2H3O(111); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +C2H4O(83)+C2H5(6)=C2H3O(111)+fuel(1) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #173; RMG #1433 +! Template reaction: Disproportionation +! Flux pairs: O2(2), HO2(8); C2H4O(83), C2H3O(111); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +O2(2)+C2H4O(83)=HO2(8)+C2H3O(111) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #174; RMG #1460 +! Template reaction: Disproportionation +! Flux pairs: C2H3(42), C2H3O(111); C2H4O(83), C2H4(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +C2H3(42)+C2H4O(83)=C2H3O(111)+C2H4(12) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #175; RMG #1470 +! Template reaction: Disproportionation +! Flux pairs: CH3(5), C(4); C2H4O(83), C2H3O(111); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH3(5)+C2H4O(83)=C(4)+C2H3O(111) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #176; RMG #1492 +! Template reaction: Disproportionation +! Flux pairs: CHO(51), C2H3O(111); C2H4O(83), CH2O(26); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CHO(51)+C2H4O(83)=CH2O(26)+C2H3O(111) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #177; RMG #1507 +! Template reaction: Disproportionation +! Flux pairs: HO(14), O(52); C2H4O(83), C2H3O(111); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HO(14)+C2H4O(83)=O(52)+C2H3O(111) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #178; RMG #1511 +! Template reaction: Disproportionation +! Flux pairs: HO2(8), OO(16); C2H4O(83), C2H3O(111); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HO2(8)+C2H4O(83)=OO(16)+C2H3O(111) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #179; RMG #1516 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(103), C1CO1(96); C2H4O(83), C2H3O(111); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +C2H3O(103)+C2H4O(83)=C2H3O(111)+C1CO1(96) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #180; RMG #1524 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(111), C2H3O(111); C2H4O(83), C2H4O(82); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O(111)+C2H4O(83)=C2H3O(111)+C2H4O(82) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #181; RMG #1098 +! Template reaction: 1,2_Insertion_CO +! Flux pairs: CH3O2(10), S(389); CO(50), S(389); +! Estimated using template [CO;C_pri] for rate rule [CO;C_pri/NonDeO] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: 1,2_Insertion_CO +CO(50)+CH3O2(10)=S(389) 2.742000e+05 2.530 85.500 + +! Reaction index: Chemkin #182; RMG #1403 +! Template reaction: R_Recombination +! Flux pairs: C2H3O(111), S(389); O2(2), S(389); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2(2)+C2H3O(111)=S(389) 2.032620e+11 0.353 0.000 + +END + diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/chemkin/species_dictionary.txt b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/chemkin/species_dictionary.txt new file mode 100644 index 00000000..1429147b --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/chemkin/species_dictionary.txt @@ -0,0 +1,332 @@ +N2 +1 N u0 p1 c0 {2,T} +2 N u0 p1 c0 {1,T} + +Ar +1 Ar u0 p4 c0 + +He +1 He u0 p1 c0 + +Ne +1 Ne u0 p4 c0 + +fuel(1) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +O2(2) +multiplicity 3 +1 O u1 p2 c0 {2,S} +2 O u1 p2 c0 {1,S} + +CH3(5) +multiplicity 2 +1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +C2H5(6) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +HO2(8) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} + +CH3O2(10) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +C2H5O2(17) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} + +C2H4(12) +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +H(7) +multiplicity 2 +1 H u1 p0 c0 + +C(4) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +HO(14) +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 H u0 p0 c0 {1,S} + +CH2O(26) +1 O u0 p2 c0 {2,D} +2 C u0 p0 c0 {1,D} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} + +O(52) +1 O u0 p2 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +OO(16) +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +C2H5O(72) +multiplicity 2 +1 O u0 p2 c0 {2,S} {8,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u1 p0 c0 {2,S} {6,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {1,S} + +C2H5O2(36) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {9,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u1 p0 c0 {3,S} {7,S} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {2,S} + +C1CO1(96) +1 O u0 p2 c0 {2,S} {3,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H4O(83) +multiplicity 3 +1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u1 p0 c0 {2,S} {6,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H4O(82) +1 O u0 p2 c0 {2,S} {7,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {2,D} {5,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {1,S} + +COO(20) +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {7,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {2,S} + +CH3O(24) +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +C2H3(42) +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u1 p0 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +S(166) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 C u0 p0 c0 {1,S} {4,D} {5,S} +4 C u0 p0 c0 {3,D} {6,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +S(175) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 C u1 p0 c0 {3,S} {6,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +S(228) +multiplicity 4 +1 O u1 p2 c0 {3,S} +2 O u1 p2 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 C u1 p0 c0 {3,S} {6,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +S(256) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u1 p2 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +S(283) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u1 p0 c0 {1,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +CHO(51) +multiplicity 2 +1 O u0 p2 c0 {2,D} +2 C u1 p0 c0 {1,D} {3,S} +3 H u0 p0 c0 {2,S} + +CO(50) +1 O u0 p1 c+1 {2,T} +2 C u0 p1 c-1 {1,T} + +CCOO(22) +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {10,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {2,S} + +C2H5O(32) +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +C2H5O3(86) +multiplicity 2 +1 O u0 p2 c0 {4,S} {10,S} +2 O u0 p2 c0 {3,S} {5,S} +3 O u1 p2 c0 {2,S} +4 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +5 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {1,S} + +CHO3(378) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 O u1 p2 c0 {1,S} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 H u0 p0 c0 {4,S} + +S(282) +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u0 p0 c0 {2,D} {3,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2H3O(103) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u1 p0 c0 {1,S} {2,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + +C2H3O(111) +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {2,D} {5,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +S(389) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {5,D} +3 O u1 p2 c0 {1,S} +4 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +5 C u0 p0 c0 {2,D} {4,S} {8,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} + diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/input.py b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/input.py new file mode 100644 index 00000000..a985e67a --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3a/iteration_1/RMG/input.py @@ -0,0 +1,66 @@ +database( + thermoLibraries=['primaryThermoLibrary'], + reactionLibraries=[], + transportLibraries=['OneDMinN2', 'PrimaryTransportLibrary', 'NOx2018', 'GRI-Mech'], + seedMechanisms=[], + kineticsDepositories='default', + kineticsFamilies='default', + kineticsEstimator='rate rules', +) + +species( + label='fuel', + reactive=True, + structure=SMILES('CC'), +) + +species( + label='O2', + reactive=True, + structure=SMILES('[O][O]'), +) + +species( + label='N2', + reactive=False, + structure=SMILES('N#N'), +) + +simpleReactor( + temperature=(1000.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'N2': [14.1, 42.3], + 'O2': [3.75, 11.25], + 'fuel': 1.0, + }, + terminationRateRatio=0.1, + nSims=12, +) + +model( + toleranceMoveToCore=0.01, + toleranceInterruptSimulation=0.01, + filterReactions=True, + filterThreshold=100000000.0, + maxNumObjsPerIter=1, + terminateAtMaxObjects=False, +) + +simulator(atol=1e-16, rtol=1e-08, sens_atol=1e-06, sens_rtol=0.0001) + +options( + name='Seed', + generateSeedEachIteration=True, + saveSeedToDatabase=False, + units='si', + generateOutputHTML=False, + generatePlots=False, + saveSimulationProfiles=False, + verboseComments=False, + saveEdgeSpecies=True, + keepIrreversible=False, + trimolecularProductReversible=True, + wallTime='00:00:05:00', + saveSeedModulus=-1, +) diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/chemkin/chem_annotated.inp b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/chemkin/chem_annotated.inp new file mode 100644 index 00000000..db72567f --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/chemkin/chem_annotated.inp @@ -0,0 +1,35386 @@ +ELEMENTS + H + D /2.014/ + T /3.016/ + C + CI /13.003/ + O + OI /17.999/ + N + Ne + Ar + He + Si + S + F + Cl + Br + I + X /195.083/ +END + +SPECIES + N2 ! N2 + Ne ! Ne + FA(1) ! FA(1) + O2(2) ! O2(2) + OH(3) ! OH(3) + HO2(4) ! HO2(4) + H(5) ! H(5) + H2(6) ! H2(6) + CH3(7) ! CH3(7) + CO(8) ! CO(8) + CO2(9) ! CO2(9) + HOCO(10) ! HOCO(10) + OCHO(11) ! OCHO(11) + CH2O(12) ! CH2O(12) + HCO(13) ! HCO(13) + Ar(14) ! Ar(14) + He(15) ! He(15) + O(16) ! O(16) + H2O(17) ! H2O(17) + H2O2(18) ! H2O2(18) + O3(19) ! O3(19) + CH4(20) ! CH4(20) + CH2(21) ! CH2(21) + CH2(S)(22) ! CH2(S)(22) + CH(23) ! CH(23) + C2H4(24) ! C2H4(24) + CH3OH(25) ! CH3OH(25) + CH2OH(26) ! CH2OH(26) + CH3O(27) ! CH3O(27) + HCOH(28) ! HCOH(28) + CH3OO(29) ! CH3OO(29) + CH2CO(30) ! CH2CO(30) + C2H5(31) ! C2H5(31) + C2H3(32) ! C2H3(32) + C(33) ! C(33) + C2H2(34) ! C2H2(34) + C2H(35) ! C2H(35) + CH2OOH(37) ! CH2OOH(37) + HOCH2O(38) ! HOCH2O(38) + CH3CHO(40) ! CH3CHO(40) + CH3CH2O(41) ! CH3CH2O(41) + CH2CHO(45) ! CH2CHO(45) + H2CC(46) ! H2CC(46) + CH3CO(47) ! CH3CO(47) + CH2CHOH(48) ! CH2CHOH(48) + CHCHO(51) ! CHCHO(51) + OCHCHO(52) ! OCHCHO(52) + HCCO(53) ! HCCO(53) + HCCOH(54) ! HCCOH(54) + CHCHOH(55) ! CHCHOH(55) + C2O(57) ! C2O(57) + cC2H3O(61) ! cC2H3O(61) + OCHCO(63) ! OCHCO(63) + O2CHO(67) ! O2CHO(67) + HO2CHO(68) ! HO2CHO(68) + OCH2O2H(69) ! OCH2O2H(69) + HOCH2O2(70) ! HOCH2O2(70) + HOCH2O2H(71) ! HOCH2O2H(71) + CH3CO2(73) ! CH3CO2(73) + OCH2OCHO(93) ! OCH2OCHO(93) + CH3OCHO(95) ! CH3OCHO(95) + HOCH2OCO(96) ! HOCH2OCO(96) + CH2OCHO(97) ! CH2OCHO(97) + CH3OCO(98) ! CH3OCO(98) + O2CCHOOJ(347) ! O2CCHOOJ(347) + OCH2CHO(510) ! OCH2CHO(510) + O[CH]O(970) ! O[CH]O(970) + [CH]1OO1(971) ! [CH]1OO1(971) + [O]C(O)O(972) ! [O]C(O)O(972) + [O]OC(O)O(973) ! [O]OC(O)O(973) + [O]C(O)OO(975) ! [O]C(O)OO(975) + C2H2O3(976) ! O=COC=O(976) + C2H2O3(977) ! O=CC(=O)O(977) + C2H2O3(978) ! [C-]=[O+]OC=O(978) + O2(983) ! O=O(983) + CHO4(985) ! [O]OC(=O)O(985) + CHO3(986) ! [O]C(=O)O(986) + CHO4(989) ! [O]C(=O)OO(989) + C2HO3(990) ! O=[C]OC=O(990) + C2HO3(991) ! O=[C]C(=O)O(991) + C2H2O3(992) ! O=C1COO1(992) + C2HO3(993) ! [O]C(=O)C=O(993) + [O]C1(O)OO1(997) ! [O]C1(O)OO1(997) + CH2O3(1000) ! O=C(O)O(1000) + C2HO2(1001) ! O=C1[CH]O1(1001) + C2O2(1002) ! O=C=C=O(1002) + [O]C#CO(1004) ! [O]C#CO(1004) + CH2O4(1005) ! O=C(O)OO(1005) + O[C]1OO1(1008) ! O[C]1OO1(1008) + CHO3(1009) ! O=[C]OO(1009) + OO[C](O)O(1010) ! OO[C](O)O(1010) + C2H3O3(1011) ! O=CO[CH]O(1011) + C2H3O3(1012) ! [O]C(O)C=O(1012) + C2HO3(1015) ! O=C1O[C]1O(1015) + C2HO3(1017) ! O=C=[C]OO(1017) + O[C](O)O(1021) ! O[C](O)O(1021) + OCO(1022) ! OCO(1022) + CH3O4(1023) ! [O]C(O)(O)O(1023) + C2H4O2(1024) ! CC(=O)O(1024) + C2HO3(1027) ! O=C1O[CH]O1(1027) + C2HO3(1028) ! [O]C1OC1=O(1028) + C2H3O3(1029) ! [O]CC(=O)O(1029) + C2H2O2(1030) ! O=C=CO(1030) + C2H2O3(1031) ! O=C=C(O)O(1031) + C2H3O3(1032) ! O=[C]C(O)O(1032) + C2H3O3(1033) ! [CH2]OC(=O)O(1033) + CO3(1034) ! O=C1OO1(1034) + O[CH]OO(1038) ! O[CH]OO(1038) + OC(O)O(1039) ! OC(O)O(1039) + O-2(1040) ! O-2(1040) + [O]C1OO1(1041) ! [O]C1OO1(1041) + C2H3O2(1042) ! O=[C]CO(1042) + C2H3O3(1043) ! [O]C(=O)CO(1043) + C2H3O2(1046) ! O=C[CH]O(1046) + OC1OO1(1047) ! OC1OO1(1047) + OO[C]1OO1(1048) ! OO[C]1OO1(1048) + O1[C]2OC12(1049) ! O1[C]2OC12(1049) + C2H3O3(1053) ! COC([O])=O(1053) + C2HO3(1055) ! O=C1[CH]OO1(1055) + C2H4O2(1056) ! O=CCO(1056) + C2H3O3(1066) ! O=C(O)[CH]O(1066) + C2HO3(1068) ! [O]C12OC1O2(1068) + C2O3(1069) ! O=C1OC1=O(1069) + C2H2O2(1070) ! O=C1CO1(1070) + OC(O)(O)O(1071) ! OC(O)(O)O(1071) + C2HO3(1072) ! OC12O[C]1O2(1072) + C2H2O(1080) ! [CH]C=O(1080) + OC1(O)OO1(1081) ! OC1(O)OO1(1081) + C2H3O(1084) ! C=[C]O(1084) + C2H2O(1085) ! C1=CO1(1085) + OOC(O)O(1086) ! OOC(O)O(1086) + C2H3O2(1088) ! [CH2]C(=O)O(1088) + [O]C1OC1O(1092) ! [O]C1OC1O(1092) + O[C]1CO1(1093) ! O[C]1CO1(1093) + [O]C1CO1(1094) ! [O]C1CO1(1094) + C2H2O3(1097) ! O=C1OC1O(1097) + C2H3O3(1100) ! [O]C=C(O)O(1100) + C2H4O2(1116) ! C=C(O)O(1116) + C2H2O(1117) ! [C]=CO(1117) + O[C]1OC1O(1125) ! O[C]1OC1O(1125) + OC1[CH]O1(1140) ! OC1[CH]O1(1140) + [CH]C(1161) ! [CH]C(1161) +END + + + +THERM ALL + 300.000 1000.000 5000.000 + +! Thermo library: primaryThermoLibrary +N2 N 2 G 200.000 6000.000 1000.00 1 + 2.95258000E+00 1.39690000E-03-4.92632000E-07 7.86010000E-11-4.60755000E-15 2 +-9.23949000E+02 5.87189000E+00 3.53101000E+00-1.23661000E-04-5.02999000E-07 3 + 2.43531000E-09-1.40881000E-12-1.04698000E+03 2.96747000E+00 4 + +! Thermo library: primaryThermoLibrary +Ne Ne 1 G 200.000 6000.000 1000.00 1 + 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 +-7.45375000E+02 3.35532000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 + 0.00000000E+00 0.00000000E+00-7.45375000E+02 3.35532000E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +FA(1) C 1H 2O 2 G 100.000 5000.000 993.73 1 + 5.64500524E+00 7.55181593E-03-3.20851133E-06 6.58918310E-10-5.05054607E-14 2 +-4.79890033E+04-5.43105670E+00 3.76240464E+00-9.43843319E-04 3.38778229E-05 3 +-4.04982872E-08 1.43986297E-11-4.68212101E+04 7.63276442E+00 4 + +! Thermo library: primaryThermoLibrary +O2(2) O 2 G 100.000 5000.000 1074.56 1 + 3.15382425E+00 1.67803802E-03-7.69971020E-07 1.51274714E-10-1.08781800E-14 2 +-1.04081878E+03 6.16753883E+00 3.53732181E+00-1.21570930E-03 5.31617825E-06 3 +-4.89443423E-09 1.45845042E-12-1.03858846E+03 4.68368406E+00 4 + +! Thermo library: primaryThermoLibrary +OH(3) H 1O 1 G 100.000 5000.000 1145.74 1 + 3.07194681E+00 6.04004392E-04-1.39720149E-08-2.13460516E-11 2.48077364E-15 2 + 3.57938362E+03 4.57796028E+00 3.51456708E+00 2.92881064E-05-5.32198223E-07 3 + 1.01953142E-09-3.85960934E-13 3.41425424E+03 2.10435231E+00 4 + +! Thermo library: BurkeH2O2 +HO2(4) H 1O 2 G 100.000 5000.000 923.89 1 + 4.15126961E+00 1.91156996E-03-4.11338645E-07 6.35111277E-11-4.86514093E-15 2 + 8.34463108E+01 3.09375971E+00 4.02958125E+00-2.64011590E-03 1.52240164E-05 3 +-1.71685137E-08 6.26801266E-12 3.22676372E+02 4.84420427E+00 4 + +! Thermo library: primaryThermoLibrary +H(5) H 1 G 100.000 5000.000 4561.14 1 + 2.50001921E+00-1.64942466E-08 5.30954718E-12-7.59275309E-16 4.06972192E-20 2 + 2.54741999E+04-4.45095101E-01 2.50000000E+00-2.06855000E-14 2.66266370E-17 3 +-1.11497399E-20 1.43541790E-24 2.54742178E+04-4.44972896E-01 4 + +! Thermo library: primaryThermoLibrary +H2(6) H 2 G 100.000 5000.000 1959.07 1 + 2.78819528E+00 5.87602676E-04 1.59028331E-07-5.52774980E-11 4.34337190E-15 2 +-5.96161647E+02 1.12558063E-01 3.43536384E+00 2.12712801E-04-2.78630593E-07 3 + 3.40271520E-10-7.76042777E-14-1.03135982E+03-3.90841624E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +CH3(7) C 1H 3 G 100.000 5000.000 697.65 1 + 3.09511251E+00 5.55429737E-03-1.88158764E-06 3.13334773E-10-2.05194968E-14 2 + 1.65426190E+04 4.20297533E+00 3.96043167E+00 5.92931596E-04 8.78578440E-06 3 +-9.88034812E-09 3.63236605E-12 1.64218817E+04 3.39863196E-01 4 + +! Thermo library: primaryThermoLibrary +CO(8) C 1O 1 G 100.000 5000.000 1571.64 1 + 2.91306360E+00 1.64658283E-03-6.88617336E-07 1.21037894E-10-7.84022132E-15 2 +-1.41808829E+04 6.71047549E+00 3.56838002E+00-8.52125971E-04 2.48917892E-06 3 +-1.56331136E-09 3.13595586E-13-1.42842549E+04 3.57912165E+00 4 + +! Thermo library: BurkeH2O2 +CO2(9) C 1O 2 G 100.000 5000.000 988.19 1 + 4.55072094E+00 2.90726846E-03-1.14642269E-06 2.25795758E-10-1.69524618E-14 2 +-4.89860127E+04-1.45666702E+00 3.27790034E+00 2.75785056E-03 7.12778041E-06 3 +-1.07853382E-08 4.14222594E-12-4.84756031E+04 5.97856597E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +HOCO(10) C 1H 1O 2 G 100.000 5000.000 964.14 1 + 6.82915373E+00 2.24155208E-03-7.19488796E-07 1.57572542E-10-1.36960016E-14 2 +-2.45226396E+04-1.00670620E+01 3.57769650E+00 4.99224135E-03 1.17083851E-05 3 +-1.99883073E-08 8.20562415E-12-2.33965408E+04 8.08905075E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +OCHO(11) C 1H 1O 2 G 100.000 5000.000 1057.62 1 + 5.51467513E+00 4.87385278E-03-2.12203725E-06 4.14215905E-10-2.99878430E-14 2 +-1.73523980E+04-2.54569028E+00 3.56693714E+00 7.37391679E-03 1.23410929E-06 3 +-6.05191236E-09 2.52686372E-12-1.66682341E+04 8.24684460E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +CH2O(12) C 1H 2O 1 G 100.000 5000.000 1070.44 1 + 2.21172373E+00 7.94265792E-03-3.34193117E-06 6.28471550E-10-4.40431569E-14 2 +-1.42974453E+04 1.13049024E+01 4.12927815E+00-4.08401464E-03 2.03229391E-05 3 +-1.83524306E-08 5.37975771E-12-1.44294640E+04 3.22418417E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +HCO(13) C 1H 1O 1 G 100.000 5000.000 1112.11 1 + 3.05136724E+00 4.11705558E-03-1.75585941E-06 3.29301683E-10-2.29173103E-14 2 + 3.93007684E+03 7.67461234E+00 4.05936324E+00-1.73845499E-03 9.14977887E-06 3 +-8.01127717E-09 2.25735769E-12 3.84377621E+03 3.32450005E+00 4 + +! Thermo library: primaryThermoLibrary +Ar(14) Ar 1 G 200.000 6000.000 1000.00 1 + 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 +-7.45375000E+02 4.37967000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 + 0.00000000E+00 0.00000000E+00-7.45375000E+02 4.37967000E+00 4 + +! Thermo library: primaryThermoLibrary +He(15) He 1 G 200.000 6000.000 1000.00 1 + 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 +-7.45375000E+02 9.28724000E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 + 0.00000000E+00 0.00000000E+00-7.45375000E+02 9.28724000E-01 4 + +! Thermo library: primaryThermoLibrary +O(16) O 1 G 100.000 5000.000 4561.14 1 + 2.50001921E+00-1.64942466E-08 5.30954718E-12-7.59275309E-16 4.06972192E-20 2 + 2.92302262E+04 5.12604207E+00 2.50000000E+00-2.06855000E-14 2.66266370E-17 3 +-1.11497399E-20 1.43541790E-24 2.92302441E+04 5.12616427E+00 4 + +! Thermo library: primaryThermoLibrary +H2O(17) H 2O 1 G 100.000 5000.000 1130.24 1 + 2.84325051E+00 2.75108538E-03-7.81031447E-07 1.07243631E-10-5.79392174E-15 2 +-2.99586128E+04 5.91041961E+00 4.05763583E+00-7.87935844E-04 2.90877489E-06 3 +-1.47518856E-09 2.12842926E-13-3.02815866E+04-3.11364056E-01 4 + +! Thermo library: BurkeH2O2 +H2O2(18) H 2O 2 G 100.000 5000.000 923.28 1 + 4.95154592E+00 3.54224907E-03-1.01037832E-06 1.61935031E-10-1.10203733E-14 2 +-1.81228054E+04-1.52927589E+00 3.72866078E+00 4.13389066E-03 5.67453817E-06 3 +-1.01859594E-08 4.28584286E-12-1.76963955E+04 5.35914879E+00 4 + +! Thermo library: primaryThermoLibrary +O3(19) O 3 G 200.000 5000.000 1000.00 1 + 5.42937000E+00 1.82038000E-03-7.70561000E-07 1.49929000E-10-1.07556000E-14 2 + 1.52353000E+04-3.26639000E+00 2.46261000E+00 9.58278000E-03-7.08736000E-06 3 + 1.36337000E-09 2.96965000E-13 1.60615000E+04 1.21419000E+01 4 + +! Thermo library: primaryThermoLibrary +CH4(20) C 1H 4 G 100.000 5000.000 1084.13 1 + 9.08299512E-01 1.14540301E-02-4.57170688E-06 8.29184378E-10-5.66308923E-14 2 +-9.71998924E+03 1.39929030E+01 4.20540938E+00-5.35550609E-03 2.51120992E-05 3 +-2.13760043E-08 5.97512714E-12-1.01619430E+04-9.21258151E-01 4 + +! Thermo library: primaryThermoLibrary +CH2(21) C 1H 2 G 100.000 5000.000 1104.64 1 + 3.14983352E+00 2.96674323E-03-9.76056226E-07 1.54115373E-10-9.50338906E-15 2 + 4.60581392E+04 4.77807861E+00 4.01192380E+00-1.54977964E-04 3.26297624E-06 3 +-2.40421634E-09 5.69496173E-13 4.58676802E+04 5.33200792E-01 4 + +! Thermo library: primaryThermoLibrary +CH2(S)(22) C 1H 2 G 100.000 5000.000 1442.38 1 + 2.62650668E+00 3.94758100E-03-1.49921631E-06 2.54533690E-10-1.62951574E-14 2 + 5.06917367E+04 6.78360180E+00 4.10264211E+00-1.44066774E-03 5.45064440E-06 3 +-3.57997603E-09 7.56178715E-13 5.04005786E+04-4.11759759E-01 4 + +! Thermo library: DFT_QCI_thermo +CH(23) C 1H 1 G 100.000 5000.000 971.39 1 + 2.74761976E+00 1.51394921E-03-5.37635233E-07 8.28590388E-11-4.75165025E-15 2 + 7.07989191E+04 6.03603425E+00 3.53296002E+00-5.84009011E-05-6.75351547E-07 3 + 1.93822482E-09-9.35433123E-13 7.05679539E+04 1.86651902E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +C2H4(24) C 2H 4 G 100.000 5000.000 979.35 1 + 3.55653480E+00 1.10628683E-02-4.17026136E-06 7.85603485E-10-5.70074721E-14 2 + 4.32049465E+03 2.17759580E+00 3.97473504E+00-4.75867232E-03 4.16792031E-05 3 +-4.51403516E-08 1.54229559E-11 4.91540665E+03 3.62424075E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +CH3OH(25) C 1H 4O 1 G 100.000 5000.000 1035.75 1 + 2.79185455E+00 1.15827658E-02-4.51550821E-06 8.21204112E-10-5.67061111E-14 2 +-2.57211723E+04 9.41055049E+00 3.84005970E+00 1.38244868E-03 1.91666195E-05 3 +-2.01567390E-08 6.39096971E-12-2.56083086E+04 5.90979012E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +CH2OH(26) C 1H 3O 1 G 100.000 5000.000 1015.49 1 + 4.77202406E+00 6.78471499E-03-2.60441733E-06 4.77562694E-10-3.34606881E-14 2 +-3.81561850E+03-2.42335531E-01 3.61905160E+00 6.28699063E-03 5.57441555E-06 3 +-9.77857289E-09 3.69452091E-12-3.32162384E+03 6.61714054E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +CH3O(27) C 1H 3O 1 G 100.000 5000.000 985.46 1 + 3.74494173E+00 8.52623907E-03-3.28788719E-06 6.23959917E-10-4.53272290E-14 2 + 7.13044733E+02 3.06609928E+00 3.95612360E+00-3.06303651E-03 3.06881425E-05 3 +-3.34120112E-08 1.13927424E-11 1.19253641E+03 4.69437378E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +HCOH(28) C 1H 2O 1 G 100.000 5000.000 1030.20 1 + 2.95245748E+00 7.75186833E-03-3.36379293E-06 6.57077461E-10-4.76179679E-14 2 + 1.16904830E+04 7.63886498E+00 4.09306225E+00-4.72809486E-03 2.65301876E-05 3 +-2.62740607E-08 8.32869594E-12 1.18827229E+04 4.17578834E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +CH3OO(29) C 1H 3O 2 G 100.000 5000.000 1031.34 1 + 4.35019756E+00 1.07183699E-02-4.26217500E-06 7.89584015E-10-5.53851012E-14 2 +-3.09799338E+02 4.08942482E+00 3.58601396E+00 6.15342257E-03 1.33271512E-05 3 +-1.76584365E-08 6.13222817E-12 2.48233330E+02 9.74094085E+00 4 + +! Thermo library: DFT_QCI_thermo +CH2CO(30) C 2H 2O 1 G 100.000 5000.000 954.87 1 + 5.88250114E+00 5.80164775E-03-1.91261246E-06 3.35906305E-10-2.37388720E-14 2 +-8.11474893E+03-6.74226866E+00 3.48300493E+00 8.33006328E-03 5.93357499E-06 3 +-1.33931242E-08 5.73096699E-12-7.31353106E+03 6.51903063E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +C2H5(31) C 2H 5 G 100.000 5000.000 1006.88 1 + 3.53788086E+00 1.37310438E-02-5.29557752E-06 9.71466634E-10-6.80276058E-14 2 + 1.26351491E+04 5.15526173E+00 3.68744860E+00 3.06909715E-03 2.55866034E-05 3 +-2.94067352E-08 9.94036893E-12 1.31153655E+04 6.96690866E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +C2H3(32) C 2H 3 G 100.000 5000.000 956.69 1 + 4.81090088E+00 6.59333644E-03-2.20127053E-06 4.04582062E-10-2.98086224E-14 2 + 3.37427422E+04-1.85788303E+00 3.83145401E+00-7.47361258E-04 2.72385518E-05 3 +-3.26051266E-08 1.18612791E-11 3.44534848E+04 5.55915849E+00 4 + +! Thermo library: primaryThermoLibrary +C(33) C 1 G 100.000 5000.000 4561.14 1 + 2.50001921E+00-1.64942466E-08 5.30954718E-12-7.59275309E-16 4.06972192E-20 2 + 8.54745068E+04 3.65966200E+00 2.50000000E+00-2.06855000E-14 2.66266370E-17 3 +-1.11497399E-20 1.43541790E-24 8.54745247E+04 3.65978421E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +C2H2(34) C 2H 2 G 100.000 5000.000 962.81 1 + 5.02081064E+00 4.22464646E-03-1.41996867E-06 2.56097365E-10-1.84538392E-14 2 + 2.55666053E+04-6.22607221E+00 3.11331004E+00 6.02069918E-03 5.32989873E-06 3 +-1.10287787E-08 4.62835148E-12 2.62179849E+04 4.37941593E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +C2H(35) C 2H 1 G 100.000 5000.000 922.68 1 + 3.48300763E+00 4.30389869E-03-1.92300415E-06 3.31983502E-10-2.05599133E-14 2 + 6.71487542E+04 5.13028528E+00 3.03026641E+00 1.29439835E-02-2.68245727E-05 3 + 2.61675703E-08-9.14587355E-12 6.69480668E+04 5.73780011E+00 4 + +! Thermo library: CurranPentane +CH2OOH(37) C 1H 3O 2 G 200.000 5000.000 1410.00 1 + 9.24698000E+00 4.60846000E-03-1.53501000E-06 2.34435000E-10-1.34573000E-14 2 + 4.11530000E+03-2.11503000E+01 2.88976000E+00 2.09466000E-02-1.75191000E-05 3 + 7.27820000E-09-1.18912000E-12 6.12391000E+03 1.23802000E+01 4 + +! Thermo library: DFT_QCI_thermo +HOCH2O(38) C 1H 3O 2 G 100.000 5000.000 944.16 1 + 8.14584978E+00 4.87928914E-03-1.13909139E-06 2.10381570E-10-1.79683569E-14 2 +-2.36009079E+04-1.67072672E+01 3.38984896E+00 5.88207747E-03 2.76857406E-05 3 +-4.16206111E-08 1.67453072E-11-2.18494315E+04 1.04837183E+01 4 + +! Thermo library: DFT_QCI_thermo +CH3CHO(40) C 2H 4O 1 G 100.000 5000.000 1028.81 1 + 4.08563906E+00 1.39061194E-02-5.59370172E-06 1.04609264E-09-7.38738518E-14 2 +-2.20391345E+04 3.76801423E+00 3.57992397E+00 5.18983474E-03 2.26897496E-05 3 +-2.73742644E-08 9.28479682E-12-2.13697374E+04 8.96971567E+00 4 + +! Thermo library: DFT_QCI_thermo +CH3CH2O(41) C 2H 5O 1 G 100.000 5000.000 1075.82 1 + 5.34724571E+00 1.54987663E-02-6.19436645E-06 1.13688052E-09-7.87694756E-14 2 +-4.13920956E+03-2.02239332E+00 3.13416874E+00 1.54298973E-02 5.47053964E-06 3 +-1.32607400E-08 4.93293233E-12-3.18287861E+03 1.10477541E+01 4 + +! Thermo library: DFT_QCI_thermo +CH2CHO(45) C 2H 3O 1 G 100.000 5000.000 956.37 1 + 6.48043871E+00 7.73043508E-03-2.53956361E-06 4.69264992E-10-3.50508237E-14 2 +-4.73734888E+02-9.05369992E+00 3.51486850E+00 4.49289153E-03 2.70701673E-05 3 +-3.72718222E-08 1.43008915E-11 8.08796062E+02 8.86080435E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +H2CC(46) C 2H 2 G 100.000 5000.000 1056.31 1 + 4.27653096E+00 5.08091335E-03-1.90202733E-06 3.35274299E-10-2.26451928E-14 2 + 4.79707135E+04 7.60838986E-01 3.71873864E+00 5.29667638E-03 4.84619833E-07 3 +-2.87064737E-09 1.13836677E-12 4.81943575E+04 3.98323693E+00 4 + +! Thermo library: DFT_QCI_thermo +CH3CO(47) C 2H 3O 1 G 100.000 5000.000 1011.58 1 + 4.39403193E+00 1.04823157E-02-4.12724196E-06 7.69389709E-10-5.45053134E-14 2 +-3.15700732E+03 3.46479443E+00 3.63677154E+00 4.50851612E-03 1.80292334E-05 3 +-2.25966486E-08 7.88610416E-12-2.54495119E+03 9.39485291E+00 4 + +! Thermo library: DFT_QCI_thermo +CH2CHOH(48) C 2H 4O 1 G 100.000 5000.000 938.10 1 + 8.28294336E+00 7.09578532E-03-1.85571107E-06 3.11650777E-10-2.32706905E-14 2 +-1.82990181E+04-1.91579370E+01 3.14415147E+00 1.21920125E-02 1.68825036E-05 3 +-3.21119929E-08 1.37094554E-11-1.65949731E+04 9.24901840E+00 4 + +! Thermo library: DFT_QCI_thermo +CHCHO(51) C 2H 2O 1 G 100.000 5000.000 969.36 1 + 7.73864704E+00 3.93424398E-03-1.33184342E-06 2.69021075E-10-2.15550995E-14 2 + 1.67208019E+04-1.46538024E+01 3.32151045E+00 9.95641872E-03 8.23519411E-06 3 +-1.92990484E-08 8.37481964E-12 1.81505839E+04 9.47660177E+00 4 + +! Thermo library: DFT_QCI_thermo +OCHCHO(52) C 2H 2O 2 G 100.000 5000.000 1055.81 1 + 7.25792047E+00 9.42892960E-03-4.41738117E-06 9.00297960E-10-6.68829939E-14 2 +-2.87292554E+04-1.27775561E+01 3.21142237E+00 1.20969187E-02 9.78168750E-06 3 +-1.94243596E-08 7.43531269E-12-2.71690228E+04 1.03065025E+01 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +HCCO(53) C 2H 1O 1 G 100.000 5000.000 1026.66 1 + 5.77905600E+00 3.70729214E-03-1.36680899E-06 2.43625310E-10-1.67891057E-14 2 + 1.95487136E+04-4.72470653E+00 3.46982945E+00 1.03257094E-02-7.56131850E-06 3 + 2.00932672E-09 1.02785643E-13 2.01482280E+04 7.08724234E+00 4 + +! Thermo library: DFT_QCI_thermo +HCCOH(54) C 2H 2O 1 G 100.000 5000.000 1511.91 1 + 7.00148544E+00 3.99047553E-03-9.53761710E-07 1.18629048E-10-6.31661595E-15 2 + 8.58609582E+03-1.18884836E+01 3.11151776E+00 1.60254631E-02-1.46236609E-05 3 + 6.90898539E-09-1.25524339E-12 9.56308577E+03 7.82738470E+00 4 + +! Thermo library: DFT_QCI_thermo +CHCHOH(55) C 2H 3O 1 G 100.000 5000.000 919.51 1 + 1.13957055E+01-4.41244620E-04 1.78866413E-06-3.67195676E-10 2.20235208E-14 2 + 1.17138708E+04-3.50625567E+01 3.08188784E+00 1.04650867E-02 2.52040283E-05 3 +-4.72200460E-08 2.08834526E-11 1.43106558E+04 1.01558403E+01 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +C2O(57) C 2O 1 G 100.000 5000.000 913.23 1 + 4.45160171E+00 3.90110076E-03-1.92052715E-06 3.79605477E-10-2.71137759E-14 2 + 4.42644836E+04 1.58772323E+00 3.07894706E+00 9.91344289E-03-1.17959875E-05 3 + 7.58882913E-09-2.00067641E-12 4.45151920E+04 8.08538789E+00 4 + +! Thermo library: DFT_QCI_thermo +cC2H3O(61) C 2H 3O 1 G 100.000 5000.000 942.75 1 + 7.32939790E+00 5.62553054E-03-1.20657471E-06 2.33285622E-10-2.12887398E-14 2 + 1.70160820E+04-1.46087947E+01 3.78050831E+00-5.30978463E-03 5.75493553E-05 3 +-7.05614294E-08 2.65074729E-11 1.88403274E+04 8.42954691E+00 4 + +! Thermo library: DFT_QCI_thermo +OCHCO(63) C 2H 1O 2 G 100.000 5000.000 1504.29 1 + 6.43153127E+00 6.95778076E-03-3.00695793E-06 5.56991141E-10-3.81280771E-14 2 +-1.00145552E+04-5.47402316E+00 3.25386336E+00 1.54074389E-02-1.14325618E-05 3 + 4.29104363E-09-6.58698493E-13-9.05853323E+03 1.11538801E+01 4 + +! Thermo library: DFT_QCI_thermo +O2CHO(67) C 1H 1O 3 G 100.000 5000.000 990.68 1 + 8.52147524E+00 4.09729977E-03-1.65618109E-06 3.44822196E-10-2.71429763E-14 2 +-1.58532286E+04-1.75186037E+01 3.11870155E+00 1.45187481E-02-1.85254434E-07 3 +-1.22532876E-08 6.08137491E-12-1.42236641E+04 1.13177635E+01 4 + +! Thermo library: DFT_QCI_thermo +HO2CHO(68) C 1H 2O 3 G 100.000 5000.000 898.65 1 + 9.45298646E+00 4.10972214E-03-9.58909046E-07 1.22200887E-10-7.10998616E-15 2 +-3.80342469E+04-2.19200729E+01 2.63450923E+00 2.79156273E-02-2.97719807E-05 3 + 1.33939448E-08-1.44492525E-12-3.65445272E+04 1.17166842E+01 4 + +! Thermo library: DFT_QCI_thermo +OCH2O2H(69) C 1H 3O 3 G 100.000 5000.000 992.65 1 + 8.67812044E+00 8.95441169E-03-3.55369832E-06 6.35247104E-10-4.29519213E-14 2 +-1.40019928E+04-1.59280479E+01 2.44714016E+00 3.40634042E-02-4.14968554E-05 3 + 2.61185152E-08-6.46107511E-12-1.27649821E+04 1.40867332E+01 4 + +! Thermo library: DFT_QCI_thermo +HOCH2O2(70) C 1H 3O 3 G 100.000 5000.000 1253.51 1 + 8.21381028E+00 9.49295417E-03-3.89777888E-06 7.16890953E-10-4.94195733E-14 2 +-2.30580747E+04-1.38317185E+01 2.69193986E+00 2.71134735E-02-2.49832090E-05 3 + 1.19309724E-08-2.28595724E-12-2.16737317E+04 1.40557639E+01 4 + +! Thermo library: DFT_QCI_thermo +HOCH2O2H(71) C 1H 4O 3 G 100.000 5000.000 1356.74 1 + 1.08688578E+01 8.55674356E-03-3.22854166E-06 5.72010912E-10-3.87176199E-14 2 +-4.21674095E+04-2.92653615E+01 2.22803727E+00 3.40318234E-02-3.13933881E-05 3 + 1.44113931E-08-2.58881807E-12-3.98227250E+04 1.50578412E+01 4 + +! Thermo library: DFT_QCI_thermo +CH3CO2(73) C 2H 3O 2 G 100.000 5000.000 980.88 1 + 7.10019763E+00 1.02743882E-02-3.84061759E-06 7.30877227E-10-5.38134456E-14 2 +-2.56526347E+04-1.05014484E+01 3.25777836E+00 9.85484003E-03 2.14046420E-05 3 +-3.31495467E-08 1.28434370E-11-2.41248714E+04 1.19071245E+01 4 + +! Thermo library: CurranPentane +OCH2OCHO(93) C 2H 3O 3 G 200.000 5000.000 1523.00 1 + 1.24013000E+01 7.83738000E-03-2.82993000E-06 4.55559000E-10-2.71061000E-14 2 +-4.68453000E+04-3.78085000E+01 1.89540000E+00 2.74119000E-02-1.36476000E-05 3 + 1.26326000E-09 5.17970000E-13-4.27879000E+04 2.02333000E+01 4 + +! Thermo library: DFT_QCI_thermo +CH3OCHO(95) C 2H 4O 2 G 100.000 5000.000 1141.77 1 + 4.90989155E+00 1.87529718E-02-8.58328586E-06 1.66847328E-09-1.18612070E-13 2 +-4.59010047E+04 2.12198937E-01 3.28123244E+00 1.13180599E-02 1.84477559E-05 3 +-2.41945164E-08 7.75136269E-12-4.46725565E+04 1.20363737E+01 4 + +! Thermo library: CurranPentane +HOCH2OCO(96) C 2H 3O 3 G 200.000 5000.000 1443.00 1 + 1.11498000E+01 9.34737000E-03-3.35542000E-06 5.38037000E-10-3.19260000E-14 2 +-4.75012000E+04-2.95984000E+01 5.95255000E+00 8.42196000E-03 1.36742000E-05 3 +-1.46786000E-08 3.84144000E-12-4.44470000E+04 2.85657000E+00 4 + +! Thermo library: DFT_QCI_thermo +CH2OCHO(97) C 2H 3O 2 G 100.000 5000.000 1184.75 1 + 8.25879658E+00 1.16084737E-02-5.39242719E-06 1.05478980E-09-7.52240438E-14 2 +-2.23280067E+04-1.64463324E+01 2.79262247E+00 2.22940785E-02-9.08442817E-06 3 +-2.40302676E-09 1.82246912E-12-2.04875220E+04 1.31527153E+01 4 + +! Thermo library: DFT_QCI_thermo +CH3OCO(98) C 2H 3O 2 G 100.000 5000.000 1366.09 1 + 6.09100213E+00 1.31502705E-02-5.86555312E-06 1.09910565E-09-7.54107062E-14 2 +-2.18774943E+04-4.13806441E+00 3.17385186E+00 1.60845101E-02-2.93041645E-06 3 +-3.33794675E-09 1.28645354E-12-2.05572509E+04 1.27605567E+01 4 + +! Thermo library: CurranPentane +O2CCHOOJ(347) C 2H 1O 4 G 200.000 5000.000 1682.00 1 + 1.09911000E+01 7.46986000E-03-2.75568000E-06 4.51353000E-10-2.72109000E-14 2 +-3.51335000E+04-2.11652000E+01 8.91498000E+00 8.60572000E-03 5.24417000E-07 3 +-2.79301000E-09 7.62963000E-13-3.40868000E+04-8.72978000E+00 4 + +! Thermo library: DFT_QCI_thermo +OCH2CHO(510) C 2H 3O 2 G 100.000 5000.000 973.60 1 + 8.68699634E+00 8.60866286E-03-3.10045621E-06 5.99589815E-10-4.54035828E-14 2 +-1.27546051E+04-1.81254095E+01 3.04363398E+00 1.36819381E-02 1.69881682E-05 3 +-3.22635259E-08 1.32995327E-11-1.07972945E+04 1.33581094E+01 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC + radical(OCJO) +O[CH]O(970) C 1H 3O 2 G 100.000 5000.000 870.43 1 + 2.33129096E+00 1.64435483E-02-8.67098761E-06 1.67647946E-09-1.14274023E-13 2 +-2.46736125E+04 1.67150792E+01 2.81674566E+00 3.41540920E-02-7.35563789E-05 3 + 7.76931111E-08-2.95070568E-11-2.55135461E+04 1.01010227E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group(Cs-OsOsHH) + ring(dioxirane) + radical(OCJO) +[CH]1OO1(971) C 1H 1O 2 G 100.000 5000.000 863.88 1 + 1.30341652E+01-1.13619672E-02 8.87122376E-06-1.87852175E-09 1.32466844E-13 2 + 1.78131574E+04-4.49691198E+01 3.50220074E+00-1.52158677E-03 5.13340033E-05 3 +-8.06028039E-08 3.62138569E-11 2.07397462E+04 7.02906983E+00 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-OsOsOsH) + radical(OCOJ) +[O]C(O)O(972) C 1H 3O 3 G 100.000 5000.000 853.62 1 +-6.08781344E+00 3.51525370E-02-1.93559457E-05 3.82498502E-09-2.65480872E-13 2 +-4.18276973E+04 6.63067450E+01 3.24533815E+00 3.16175498E-02-8.37839237E-05 3 + 1.09311463E-07-4.73167933E-11-4.48856848E+04 1.41780864E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-CsH) + group(O2s-CsH) + group(O2s-OsH) + group(Cs-OsOsOsH) + radical(ROOJ) +[O]OC(O)O(973) C 1H 3O 4 G 100.000 5000.000 865.07 1 + 2.57329628E+00 2.31351333E-02-1.20271111E-05 2.31560223E-09-1.58021828E-13 2 +-4.44908678E+04 2.23608327E+01 2.26019748E+00 4.79932368E-02-9.57227791E-05 3 + 9.80983560E-08-3.68791294E-11-4.53126524E+04 1.87630636E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-CsH) + group(O2s-CsH) + group(O2s-OsH) + group(Cs-OsOsOsH) + radical(OCOJ) +[O]C(O)OO(975) C 1H 3O 4 G 100.000 5000.000 846.10 1 +-4.84812049E+00 3.98923858E-02-2.24463218E-05 4.47221550E-09-3.12059117E-13 2 +-3.34389838E+04 6.18679978E+01 2.54470100E+00 4.88657052E-02-1.16223610E-04 3 + 1.39717168E-07-5.84020961E-11-3.62622073E+04 1.81464652E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-O2d)(Cds-O2d)) + group(Cds-OdOsH) + group(Cds-OdOsH) +C2H2O3(976) C 2H 2O 3 G 100.000 5000.000 1522.34 1 + 9.19082843E+00 9.16694597E-03-4.37891456E-06 8.41805150E-10-5.82468457E-14 2 +-6.05915185E+04-1.80344038E+01 2.83834721E+00 2.23426638E-02-1.38972464E-05 3 + 3.49312366E-09-2.44531430E-13-5.82500110E+04 1.66202712E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-O2d)H) + group(Cds-O2d(Cds-O2d)O2s) + group(Cds-O2d(Cds-O2d)H) +C2H2O3(977) C 2H 2O 3 G 100.000 5000.000 2089.55 1 + 1.14245348E+01 9.07941776E-03-4.64397444E-06 8.84587039E-10-5.97001495E-14 2 +-6.15096436E+04-3.41454915E+01 2.79802567E+00 2.55929706E-02-1.64983101E-05 3 + 4.66667306E-09-5.12198346E-13-5.79045243E+04 1.38297590E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-Cd)(Cds-Cd)) + group(O2s-CsCs) + group(Cds-OdOsH) + group(C2dc-O4dcH) +C2H2O3(978) C 2H 2O 3 G 100.000 5000.000 2063.80 1 + 1.33295354E+01 8.74663261E-03-5.40532094E-06 1.04079668E-09-6.84565525E-14 2 +-4.78274258E+04-4.61385041E+01 3.52296584E+00 1.93742739E-02-7.03955435E-06 3 +-3.98567306E-10 3.44207723E-13-4.19952008E+04 1.26011099E+01 4 + +! Thermo library: primaryThermoLibrary +O2(983) O 2 G 100.000 5000.000 1074.56 1 + 3.15382425E+00 1.67803802E-03-7.69971020E-07 1.51274714E-10-1.08781800E-14 2 + 1.03022522E+04 6.16753883E+00 3.53732181E+00-1.21570930E-03 5.31617825E-06 3 +-4.89443423E-09 1.45845042E-12 1.03044825E+04 4.68368406E+00 4 + +! Thermo group additivity estimation: group(O2s-O2s(Cds-O2d)) + group(O2s-(Cds-O2d)H) + group(O2s-(Os-CdOd)H) + group(Cds-OdOsOs) + radical(C(=O)OOJ) +CHO4(985) C 1H 1O 4 G 100.000 5000.000 1359.95 1 + 1.39625050E+01-3.36290364E-03 3.17646351E-06-7.09588103E-10 5.17685313E-14 2 +-4.50580391E+04-4.32680747E+01 1.78582684E+00 4.12566177E-02-5.57492133E-05 3 + 3.29371659E-08-7.00865999E-12-4.25602781E+04 1.62276544E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-O2d)H) + group(O2s-(Cds-O2d)H) + group(Cds-OdOsOs) + radical(OC=OOJ) +CHO3(986) C 1H 1O 3 G 100.000 5000.000 968.20 1 + 8.68700986E+00 3.22525118E-03-1.09065200E-06 2.46274801E-10-2.15802181E-14 2 +-4.76525645E+04-1.88460289E+01 3.28598748E+00 9.07611550E-03 1.53501840E-05 3 +-2.86364211E-08 1.19710149E-11-4.58350934E+04 1.10210507E+01 4 + +! Thermo group additivity estimation: group(O2s-O2s(Cds-O2d)) + group(O2s-(Cds-O2d)H) + group(O2s-(Os-CdOd)H) + group(Cds-OdOsOs) + radical(OC=OOJ) +CHO4(989) C 1H 1O 4 G 100.000 5000.000 850.80 1 + 1.27953152E+01-8.18889377E-04 1.54836571E-06-3.78383318E-10 2.86266943E-14 2 +-3.88384406E+04-3.72619019E+01 2.13674790E+00 3.86742931E-02-4.93604332E-05 3 + 2.48442420E-08-3.07262984E-12-3.66404984E+04 1.46956897E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-O2d)(Cds-O2d)) + group(Cds-OdOsH) + group(Cds-OdOsH) + radical((O)CJOC) +C2HO3(990) C 2H 1O 3 G 100.000 5000.000 884.08 1 + 6.62733292E+00 1.06530353E-02-5.46549923E-06 1.09901983E-09-7.91878892E-14 2 +-3.52979120E+04-1.88540960E+00 2.83290172E+00 2.78209833E-02-3.45942167E-05 3 + 2.30645565E-08-6.29064573E-12-3.46270009E+04 1.59529957E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-O2d)H) + group(Cds-O2d(Cds-O2d)O2s) + group(Cds-O2d(Cds-O2d)H) + radical(OC=OCJ=O) +C2HO3(991) C 2H 1O 3 G 100.000 5000.000 1438.15 1 + 9.12271904E+00 8.30222656E-03-4.18475159E-06 8.33223583E-10-5.94750542E-14 2 +-4.06702818E+04-1.82999688E+01 2.74337190E+00 2.60452487E-02-2.26906520E-05 3 + 9.41170333E-09-1.55069501E-12-3.88353714E+04 1.47947429E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-O2s(Cds-O2d)) + group(Cs-(Cds-O2d)OsHH) + group(Cds-OdCsOs) + ring(Cyclobutane) +C2H2O3(992) C 2H 2O 3 G 100.000 5000.000 945.78 1 + 1.60491198E+01 2.92344862E-04 1.63949846E-06-1.77603668E-10-4.77100759E-15 2 +-3.54255310E+04-6.30409702E+01 3.37363747E+00-1.19260222E-02 1.25418616E-04 3 +-1.61018264E-07 6.19628860E-11-3.00837726E+04 1.29687736E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-O2d)H) + group(Cds-O2d(Cds-O2d)O2s) + group(Cds-O2d(Cds-O2d)H) + radical(C=OC=OOJ) +C2HO3(993) C 2H 1O 3 G 100.000 5000.000 825.89 1 + 5.38716060E+00 1.47781074E-02-8.27521354E-06 1.72677225E-09-1.27055328E-13 2 +-2.68544976E+04 3.07826141E+00 2.94680444E+00 2.65975778E-02-2.97423486E-05 3 + 1.90555384E-08-5.37262261E-12-2.64514110E+04 1.43847051E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-OsOsOsOs) + ring(dioxirane) + +! radical(OCOJ) +[O]C1(O)OO1(997) C 1H 1O 4 G 100.000 5000.000 909.59 1 + 2.16174530E+00 1.66591480E-02-6.98612282E-06 1.22457091E-09-7.93393234E-14 2 +-1.79321965E+04 2.08107944E+01 3.14981824E+00 2.27962287E-02-3.43927812E-05 3 + 3.39811275E-08-1.25645870E-11-1.85455733E+04 1.37539057E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-O2d)H) + group(O2s-(Cds-O2d)H) + group(Cds-OdOsOs) +CH2O3(1000) C 1H 2O 3 G 100.000 5000.000 956.74 1 + 1.18951668E+01 1.71633986E-03-1.48113888E-07 9.26350562E-11-1.38649660E-14 2 +-7.81026578E+04-3.82535329E+01 2.98121802E+00 1.14382467E-02 2.77969440E-05 3 +-4.94730498E-08 2.08013129E-11-7.51362691E+04 1.09455361E+01 4 + +! Thermo library: DFT_QCI_thermo + radical(OCJC=O) +C2HO2(1001) C 2H 1O 2 G 100.000 5000.000 971.62 1 + 7.22355861E+00 5.57776239E-03-1.91283406E-06 3.80681092E-10-2.98304189E-14 2 +-6.82200148E+03-1.20667715E+01 3.42412286E+00 6.97553566E-03 1.79192097E-05 3 +-2.83150646E-08 1.12358862E-11-5.41133803E+03 9.61382760E+00 4 + +! Thermo library: primaryThermoLibrary +C2O2(1002) C 2O 2 G 100.000 5000.000 857.41 1 + 4.78319799E+00 7.73540343E-03-3.93450526E-06 7.52119510E-10-5.12493015E-14 2 + 7.52528116E+03 1.63245361E+01 2.53552302E+00 2.40327606E-02-4.26128465E-05 3 + 3.87309411E-08-1.34298588E-11 7.69709981E+03 2.55767803E+01 4 + +! Thermo library: DFT_QCI_thermo +[O]C#CO(1004) C 2H 1O 2 G 100.000 5000.000 1278.68 1 + 6.84958643E+00 6.02124228E-03-2.47223343E-06 4.52852380E-10-3.11140779E-14 2 + 1.34211950E+02-8.21543701E+00 3.13917575E+00 1.76283036E-02-1.60883683E-05 3 + 7.55194582E-09-1.41909408E-12 1.08309277E+03 1.05972550E+01 4 + +! Thermo group additivity estimation: group(O2s-O2s(Cds-O2d)) + group(O2s-(Cds-O2d)H) + group(O2s-(Os-CdOd)H) + group(Cds-OdOsOs) +CH2O4(1005) C 1H 2O 4 G 100.000 5000.000 1468.74 1 + 1.60268964E+01-2.57070966E-03 2.70628114E-06-5.94911380E-10 4.22626774E-14 2 +-6.92221839E+04-5.59710890E+01 1.35126751E+00 4.67566719E-02-5.72295479E-05 3 + 3.09488423E-08-6.06541834E-12-6.59207609E+04 1.70350648E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group(O2s-CsH) + group(Cs-OsOsOsH) + ring(dioxirane) + radical(Cs_P) +O[C]1OO1(1008) C 1H 1O 3 G 100.000 5000.000 889.38 1 + 7.15198842E+00 3.44390810E-03-2.45837007E-07-2.66362553E-11 2.84551671E-15 2 +-1.20939430E+03-7.93188492E+00 3.37239910E+00 9.99027632E-03 6.34193284E-06 3 +-1.81789300E-08 8.81979789E-12-1.23705523E+02 1.21834023E+01 4 + +! Thermo library: DFT_QCI_thermo + radical((O)CJOC) +CHO3(1009) C 1H 1O 3 G 100.000 5000.000 706.99 1 + 1.00715071E+01 5.43819306E-04 7.06635508E-07-2.34607919E-10 2.09819160E-14 2 +-1.42050165E+04-2.46147403E+01 2.48737050E+00 3.47703674E-02-5.34887117E-05 3 + 3.34984031E-08-5.76475597E-12-1.29156327E+04 1.08793058E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-CsH) + group(O2s-CsH) + group(O2s-OsH) + group(Cs-OsOsOsH) + radical(Cs_P) +OO[C](O)O(1010) C 1H 3O 4 G 100.000 5000.000 846.63 1 + 4.02615408E+00 2.23766913E-02-1.21760437E-05 2.39597107E-09-1.66046784E-13 2 +-3.85010863E+04 1.45728947E+01 2.02886782E+00 5.23861934E-02-1.01794769E-04 3 + 1.01666973E-07-3.79549946E-11-3.89002153E+04 1.95216656E+01 4 + +! Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-CsH) + group(Cs-OsOsHH) + group(Cds-OdOsH) + radical(OCJO) +C2H3O3(1011) C 2H 3O 3 G 100.000 5000.000 1426.69 1 + 1.11079295E+01 9.58172737E-03-3.85826489E-06 7.00190187E-10-4.77572513E-14 2 +-4.73442087E+04-2.82905755E+01 2.19184340E+00 3.45798836E-02-3.01411461E-05 3 + 1.29818043E-08-2.19989065E-12-4.48001302E+04 1.78927115E+01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cds-OdCsH) + radical(C=OCOJ) +C2H3O3(1012) C 2H 3O 3 G 100.000 5000.000 971.52 1 + 6.01114184E+00 1.64080625E-02-7.56102974E-06 1.46046638E-09-1.03199189E-13 2 +-3.59628526E+04 3.49878011E+00 2.73016149E+00 2.99168025E-02-2.84182930E-05 3 + 1.57730253E-08-3.78625684E-12-3.53253494E+04 1.92327925E+01 4 + +! Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cds-OdCsOs) + ring(2(co)oxirane) + +! radical(Cs_P) +C2HO3(1015) C 2H 1O 3 G 100.000 5000.000 803.60 1 + 3.57001798E+00 1.67843638E-02-8.43043925E-06 1.64313301E-09-1.14869029E-13 2 +-2.34008042E+04 1.36313452E+01 2.93117731E+00 2.69347800E-02-4.03883319E-05 3 + 3.89493873E-08-1.50788405E-11-2.35231994E+04 1.51733163E+01 4 + +! Thermo group additivity estimation: group(O2s-O2s(Cds-Cd)) + group(O2s-OsH) + missing(O2d-Cdd) + group(Cds-(Cdd-O2d)OsH) + missing(Cdd-CdO2d) + +! radical(C=CJO) +C2HO3(1017) C 2H 1O 3 G 100.000 5000.000 869.16 1 + 6.00743465E+00 1.20554997E-02-6.03430008E-06 1.13987639E-09-7.68914982E-14 2 + 2.02970897E+04 4.16819869E+00 2.46278261E+00 3.84969529E-02-6.91466357E-05 3 + 6.29556821E-08-2.17135307E-11 2.05306887E+04 1.85712147E+01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-OsOsOsH) + radical(Cs_P) +O[C](O)O(1021) C 1H 3O 3 G 100.000 5000.000 863.70 1 + 2.78840405E+00 1.76330237E-02-9.08324677E-06 1.74813021E-09-1.19415478E-13 2 +-4.68904674E+04 1.85955218E+01 2.72618009E+00 3.51825383E-02-6.95395674E-05 3 + 7.15516637E-08-2.70217910E-11-4.75235515E+04 1.51594325E+01 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +OCO(1022) C 1H 4O 2 G 10.000 3000.000 639.76 1 + 4.46055000E+00 1.93316000E-02-1.42176000E-05 5.09053000E-09-6.81740000E-13 2 +-4.87312000E+04 1.03399000E+00 3.92739000E+00 3.97483000E-03 6.56102000E-05 3 +-1.23760000E-07 6.75141000E-11-4.82805000E+04 6.35739000E+00 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-CsH) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-OsOsOsOs) + radical(OCOJ) +CH3O4(1023) C 1H 3O 4 G 100.000 5000.000 882.92 1 +-2.18112526E+00 3.08130811E-02-1.58032555E-05 2.99454917E-09-2.01203249E-13 2 +-6.36219505E+04 4.72216949E+01 2.50489785E+00 4.79659891E-02-1.10153132E-04 3 + 1.23472614E-07-4.82563759E-11-6.59454748E+04 1.67256776E+01 4 + +! Thermo library: DFT_QCI_thermo +C2H4O2(1024) C 2H 4O 2 G 100.000 5000.000 1020.00 1 + 6.36115751E+00 1.55129872E-02-6.47991772E-06 1.25443793E-09-9.10579549E-14 2 +-5.51024197E+04-7.66349308E+00 3.21749640E+00 1.02435208E-02 2.71478481E-05 3 +-3.76384497E-08 1.35870582E-11-5.35456813E+04 1.20524995E+01 4 + +! Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-Cs(Cds-O2d)) + group(Cs-OsOsHH) + group(Cds-OdOsOs) + ring(Cyclobutane) + +! radical(OCJO) +C2HO3(1027) C 2H 1O 3 G 100.000 5000.000 941.55 1 + 1.54819431E+01-3.22771952E-03 2.95463851E-06-4.55020057E-10 1.78121768E-14 2 +-3.64765094E+04-5.90148545E+01 3.27461622E+00-5.00361108E-03 9.12332365E-05 3 +-1.23463682E-07 4.87437455E-11-3.18002741E+04 1.17685538E+01 4 + +! Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cds-OdCsOs) + ring(2(co)oxirane) + +! radical(C=OCOJ) +C2HO3(1028) C 2H 1O 3 G 100.000 5000.000 820.08 1 + 2.17167360E+00 1.88806836E-02-9.31300854E-06 1.79925049E-09-1.25028905E-13 2 +-1.84347561E+04 2.01749740E+01 3.10188494E+00 2.36701000E-02-3.51325157E-05 3 + 3.66566664E-08-1.49789035E-11-1.89009457E+04 1.39596186E+01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-O2d)H) + group(Cs-(Cds-O2d)OsHH) + group(Cds-OdCsOs) + radical(C=OCOJ) +C2H3O3(1029) C 2H 3O 3 G 100.000 5000.000 1695.18 1 + 9.47928307E+00 1.20315069E-02-4.91305355E-06 8.76886119E-10-5.83219324E-14 2 +-4.38066322E+04-1.97872906E+01 2.53280656E+00 2.84229056E-02-1.94174188E-05 3 + 6.58114096E-09-8.99582206E-13-4.14515660E+04 1.73916002E+01 4 + +! Thermo library: DFT_QCI_thermo +C2H2O2(1030) C 2H 2O 2 G 100.000 5000.000 1217.44 1 + 7.78054011E+00 6.72919952E-03-2.45109650E-06 4.23933535E-10-2.82988344E-14 2 +-2.10838605E+04-1.34218842E+01 2.86771316E+00 2.28707428E-02-2.23390414E-05 3 + 1.13145445E-08-2.26468012E-12-1.98876493E+04 1.12462530E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-Cd)H) + group(O2s-(Cds-Cd)H) + missing(O2d-Cdd) + group(Cds-(Cdd-O2d)OsOs) + missing(Cdd-CdO2d) +C2H2O3(1031) C 2H 2O 3 G 100.000 5000.000 885.49 1 + 3.15628446E+01-3.01770612E-02 1.90440453E-05-3.79819102E-09 2.59023930E-13 2 +-5.42800805E+04-1.45008035E+02 1.32354302E+00 3.19059130E-02 4.01060691E-05 3 +-1.14690927E-07 5.83987636E-11-4.60033902E+04 1.36974010E+01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cds-OdCsH) + radical(CsCJ=O) +C2H3O3(1032) C 2H 3O 3 G 100.000 5000.000 1052.24 1 + 7.50824680E+00 1.41576267E-02-6.58806483E-06 1.28106014E-09-9.09494406E-14 2 +-4.70711251E+04-5.07336208E+00 2.56336197E+00 3.29554140E-02-3.33852111E-05 3 + 1.82591116E-08-4.12478707E-12-4.60304968E+04 1.90345874E+01 4 + +! Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-(Cds-O2d)H) + group(Cs-OsHHH) + group(Cds-OdOsOs) + radical(CsJOC(O)) +C2H3O3(1033) C 2H 3O 3 G 100.000 5000.000 975.64 1 + 1.41867974E+01 5.41943265E-03-1.94886933E-06 4.36298758E-10-3.74671332E-14 2 +-5.21751682E+04-4.69829834E+01 2.20391943E+00 2.87382359E-02 1.88034904E-06 3 +-2.92945562E-08 1.45286412E-11-4.86086035E+04 1.68271528E+01 4 + +! Thermo library: primaryThermoLibrary +CO3(1034) C 1O 3 G 100.000 5000.000 959.18 1 + 7.36873361E+00 2.00091683E-03-5.50280692E-07 1.22227960E-10-1.12066985E-14 2 +-2.17303124E+04-1.26225825E+01 3.47735353E+00 6.97964726E-03 9.25586076E-06 3 +-1.89206584E-08 8.13904239E-12-2.04663309E+04 8.68639289E+00 4 + +! Thermo library: DFT_QCI_thermo + radical(OCJO) +O[CH]OO(1038) C 1H 3O 3 G 100.000 5000.000 874.43 1 + 1.58932210E+00 2.28028575E-02-1.21600852E-05 2.34503937E-09-1.59184669E-13 2 +-1.58632588E+04 2.43624343E+01 2.32073892E+00 4.88622330E-02-1.07304403E-04 3 + 1.13340433E-07-4.28878242E-11-1.71153685E+04 1.45037390E+01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-OsOsOsH) +OC(O)O(1039) C 1H 4O 3 G 100.000 5000.000 844.25 1 + 2.93931205E+00 2.00241386E-02-9.90864814E-06 1.90441075E-09-1.31171708E-13 2 +-7.17775533E+04 1.62312216E+01 2.69682876E+00 3.43598499E-02-5.88085880E-05 3 + 5.90195612E-08-2.25226855E-11-7.22065627E+04 1.45767576E+01 4 + +! Thermo library: primaryThermoLibrary +O-2(1040) O 1 G 100.000 5000.000 4561.14 1 + 2.50001921E+00-1.64942466E-08 5.30954718E-12-7.59275309E-16 4.06972192E-20 2 + 5.19973619E+04 2.99239365E+00 2.50000000E+00-2.06855000E-14 2.66266370E-17 3 +-1.11497399E-20 1.43541790E-24 5.19973798E+04 2.99251586E+00 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group(O2s-CsH) + group(Cs-OsOsOsH) + ring(dioxirane) + radical(OCOJ) +[O]C1OO1(1041) C 1H 1O 3 G 100.000 5000.000 1748.88 1 + 3.06366686E+00 1.41565895E-02-7.08445264E-06 1.31706892E-09-8.69753496E-14 2 + 1.31890981E+03 1.07816531E+01 4.39186344E+00 4.08193154E-04 1.38938471E-05 3 +-1.01816254E-08 2.05733320E-12 2.49228914E+03 8.31430946E+00 4 + +! Thermo library: DFT_QCI_thermo + radical(CsCJ=O) +C2H3O2(1042) C 2H 3O 2 G 100.000 5000.000 958.15 1 + 1.25150867E+01 3.04251290E-03-4.86609597E-07 1.51258559E-10-1.80939897E-14 2 +-2.45122941E+04-3.93158903E+01 2.80067838E+00 1.49397547E-02 2.57522678E-05 3 +-4.93213863E-08 2.10351931E-11-2.13352708E+04 1.39997694E+01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-O2d)H) + group(Cs-(Cds-O2d)OsHH) + group(Cds-OdCsOs) + radical(CCOJ) +C2H3O3(1043) C 2H 3O 3 G 100.000 5000.000 2108.66 1 + 1.26002511E+01 1.03877513E-02-5.03464095E-06 9.07366822E-10-5.81074312E-14 2 +-4.87013351E+04-4.07082774E+01 3.06150301E+00 2.38332923E-02-1.12921707E-05 3 + 1.84020337E-09-4.47478678E-14-4.36449860E+04 1.48778095E+01 4 + +! Thermo library: DFT_QCI_thermo + radical(OCJC=O) +C2H3O2(1046) C 2H 3O 2 G 100.000 5000.000 963.66 1 + 1.20192187E+01 4.77217918E-03-1.33669968E-06 3.03008072E-10-2.77197907E-14 2 +-2.62693859E+04-3.73582756E+01 2.73078156E+00 1.75102021E-02 1.90209029E-05 3 +-4.15806363E-08 1.80501013E-11-2.32804686E+04 1.33289226E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group(O2s-CsH) + group(Cs-OsOsOsH) + ring(dioxirane) +OC1OO1(1047) C 1H 2O 3 G 100.000 5000.000 907.47 1 + 7.37259471E+00 5.71364351E-03-1.00002744E-06 1.12609806E-10-7.48437203E-15 2 +-2.61248203E+04-1.06865940E+01 3.32940567E+00 9.33106093E-03 1.64996722E-05 3 +-2.99921804E-08 1.30379990E-11-2.48061384E+04 1.16493985E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group(O2s-OsCs) + group(O2s-OsH) + group(Cs-OsOsOsH) + ring(dioxirane) + +! radical(Cs_P) +OO[C]1OO1(1048) C 1H 1O 4 G 100.000 5000.000 1226.38 1 + 8.90026548E+00 7.33090801E-03-2.84905176E-06 5.06292233E-10-3.42990808E-14 2 + 6.96166032E+03-1.59339521E+01 2.62046120E+00 2.78130779E-02-2.79007451E-05 3 + 1.41243663E-08-2.81033809E-12 8.50196360E+03 1.56440461E+01 4 + +! Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-CsCs) + group(Cs-CsOsOsH) + group(Cs-CsOsOsH) + polycyclic(s2_3_3_ane) + radical(Cs_P) +O1[C]2OC12(1049) C 2H 1O 2 G 100.000 5000.000 1053.63 1 + 7.37507634E+00 7.17532833E-03-4.23332585E-06 9.64131370E-10-7.59997971E-14 2 + 1.35043060E+04-1.41118253E+01 3.55020697E+00 2.80106593E-03 2.88939175E-05 3 +-3.70169720E-08 1.29744745E-11 1.53591071E+04 9.51785987E+00 4 + +! Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-(Cds-O2d)H) + group(Cs-OsHHH) + group(Cds-OdOsOs) + radical(OC=OOJ) +C2H3O3(1053) C 2H 3O 3 G 100.000 5000.000 1087.93 1 + 7.67032733E+00 1.44539038E-02-6.30721856E-06 1.21808172E-09-8.71057311E-14 2 +-4.54368881E+04-1.16212601E+01 2.81903378E+00 2.07218826E-02 1.00139421E-06 3 +-1.30348649E-08 5.43422793E-12-4.36966781E+04 1.53387900E+01 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-O2s(Cds-O2d)) + group(Cs-(Cds-O2d)OsHH) + group(Cds-OdCsOs) + ring(Cyclobutane) + +! radical(OCJC=O) +C2HO3(1055) C 2H 1O 3 G 100.000 5000.000 947.27 1 + 1.52539803E+01-8.80062519E-05 1.44771074E-06-1.43435613E-10-5.76638846E-15 2 +-1.83389403E+04-5.79808313E+01 3.35983015E+00-9.05669167E-03 1.09382684E-04 3 +-1.42072782E-07 5.48615381E-11-1.34297643E+04 1.27753353E+01 4 + +! Thermo library: DFT_QCI_thermo +C2H4O2(1056) C 2H 4O 2 G 100.000 5000.000 953.77 1 + 1.27141824E+01 5.31904108E-03-1.21602821E-06 2.71930048E-10-2.64264888E-14 2 +-4.33165854E+04-4.18586711E+01 2.75093465E+00 1.45252469E-02 3.55421460E-05 3 +-6.12351701E-08 2.54831974E-11-3.99342730E+04 1.35047164E+01 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-(Cds-O2d)H) + group(Cs-(Cds-O2d)OsHH) + group(Cds-OdCsOs) + radical(OCJC=O) +C2H3O3(1066) C 2H 3O 3 G 100.000 5000.000 1406.10 1 + 8.97796081E+00 1.38147220E-02-6.02285082E-06 1.12471149E-09-7.76080444E-14 2 +-5.59464511E+04-1.70741824E+01 2.44224539E+00 3.24073263E-02-2.58572290E-05 3 + 1.05287507E-08-1.74962833E-12-5.41084912E+04 1.66843187E+01 4 + +! Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-CsCs) + group(O2s-CsH) + group(Cs-CsOsOsOs) + group(Cs-CsOsOsH) + +! polycyclic(s2_3_3_ane) + radical(CCOJ) +C2HO3(1068) C 2H 1O 3 G 100.000 5000.000 1736.28 1 + 7.90898218E+00 1.14395631E-02-6.43460011E-06 1.25969720E-09-8.58728930E-14 2 +-6.69581883E+03-1.62367423E+01 3.62581072E+00 1.25424839E-02 1.84427504E-07 3 +-4.18908332E-09 1.11729019E-12-3.88735656E+03 1.05947219E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-O2d)(Cds-O2d)) + group(Cds-O2d(Cds-O2d)O2s) + group(Cds-O2d(Cds-O2d)O2s) + ring(cyclopropanedione) +C2O3(1069) C 2O 3 G 100.000 5000.000 1011.18 1 + 8.35084943E+00 3.04176377E-03 3.64189059E-07-3.14564589E-10 3.47214479E-14 2 +-2.11601032E+04-9.62201782E+00 2.03093922E+00 4.97825936E-02-1.01222150E-04 3 + 8.79232091E-08-2.70376030E-11-2.09934734E+04 1.54422050E+01 4 + +! Thermo library: DFT_QCI_thermo +C2H2O2(1070) C 2H 2O 2 G 100.000 5000.000 953.57 1 + 7.91506890E+00 6.13030274E-03-1.79535800E-06 3.50344281E-10-2.85977512E-14 2 +-2.38676884E+04-1.65476096E+01 3.44431324E+00 3.99082056E-03 3.44358949E-05 3 +-4.79572232E-08 1.86603411E-11-2.20651444E+04 9.78944770E+00 4 + +! Thermo group additivity estimation: group(O2s-CsH) + group(O2s-CsH) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-OsOsOsOs) +OC(O)(O)O(1071) C 1H 4O 4 G 100.000 5000.000 924.72 1 + 6.84926226E+00 1.56744849E-02-6.34812406E-06 1.07178325E-09-6.66908578E-14 2 +-9.35718184E+04-3.15732498E+00 1.92958857E+00 5.10647828E-02-8.66425262E-05 3 + 7.54595335E-08-2.46384917E-11-9.32652147E+04 1.69303670E+01 4 + +! Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-CsCs) + group(O2s-CsH) + group(Cs-CsOsOsOs) + group(Cs-CsOsOsH) + +! polycyclic(s2_3_3_ane) + radical(Cs_P) +C2HO3(1072) C 2H 1O 3 G 100.000 5000.000 1512.79 1 + 9.14487088E+00 7.24377029E-03-3.71466904E-06 7.34488259E-10-5.15776962E-14 2 +-8.57059337E+03-2.01781119E+01 2.93309180E+00 2.03957825E-02-1.35104712E-05 3 + 3.62133374E-09-2.92326504E-13-6.31668758E+03 1.35992532E+01 4 + +! Thermo group additivity estimation: group(Cds-OdCsH) + group(CsJ2_singlet-CsH) +C2H2O(1080) C 2H 2O 1 G 100.000 5000.000 1428.70 1 + 4.57085705E+00 9.02818895E-03-4.22551233E-06 8.01355538E-10-5.50007849E-14 2 + 3.21650865E+04 3.06305910E+00 3.66977292E+00 6.98951779E-03 2.70404777E-06 3 +-4.66689463E-09 1.29290439E-12 3.28881007E+04 9.36098656E+00 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-OsCs) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-OsOsOsOs) + ring(dioxirane) +OC1(O)OO1(1081) C 1H 2O 4 G 100.000 5000.000 1593.56 1 + 9.40911890E+00 3.96696642E-03 1.27601449E-06-4.51254892E-10 3.67426021E-14 2 +-4.69098599E+04-1.84327367E+01 2.00433181E+00 3.27181901E-02-3.53548384E-05 3 + 1.88759032E-08-3.62326536E-12-4.58404653E+04 1.66920748E+01 4 + +! Thermo library: DFT_QCI_thermo +C2H3O(1084) C 2H 3O 1 G 100.000 5000.000 925.62 1 + 8.19876279E+00 4.53459267E-03-8.93432428E-07 1.26079015E-10-9.46482219E-15 2 + 1.09713373E+04-1.67330917E+01 3.16239562E+00 1.34246072E-02 5.56322404E-06 3 +-1.95507539E-08 9.36353465E-12 1.24552060E+04 1.01543730E+01 4 + +! Thermo library: DFT_QCI_thermo +C2H2O(1085) C 2H 2O 1 G 100.000 5000.000 945.06 1 + 6.90178534E+00 4.59359713E-03-1.36480013E-06 2.32154662E-10-1.65661589E-14 2 + 3.02283505E+04-1.08670661E+01 3.31418509E+00 1.19133774E-02-4.99637115E-07 3 +-9.18403144E-09 4.80378109E-12 3.12576705E+04 8.09649926E+00 4 + +! Thermo group additivity estimation: group(O2s-OsCs) + group(O2s-CsH) + group(O2s-CsH) + group(O2s-OsH) + group(Cs-OsOsOsH) +OOC(O)O(1086) C 1H 4O 4 G 100.000 5000.000 828.77 1 + 4.15405012E+00 2.48082010E-02-1.30252794E-05 2.55797687E-09-1.78283910E-13 2 +-6.33789258E+04 1.23372495E+01 2.00259299E+00 5.15285189E-02-9.09542329E-05 3 + 8.90287060E-08-3.34369183E-11-6.35833558E+04 1.89279240E+01 4 + +! Thermo library: DFT_QCI_thermo +C2H3O2(1088) C 2H 3O 2 G 100.000 5000.000 1058.00 1 + 7.98363379E+00 1.18141981E-02-5.27086051E-06 1.04331698E-09-7.61676329E-14 2 +-3.15520596E+04-1.60852635E+01 2.92688292E+00 1.79294705E-02 4.49427744E-06 3 +-1.67263257E-08 6.86762799E-12-2.97543074E+04 1.20349896E+01 4 + +! Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cs-CsOsOsH) + ring(Ethylene_oxide) + +! radical(CCOJ) +[O]C1OC1O(1092) C 2H 3O 3 G 100.000 5000.000 1403.05 1 + 7.13453973E+00 1.23920058E-02-2.65756685E-06 2.58719732E-10-9.40182063E-15 2 +-2.98705616E+04-5.69429074E+00 2.37232800E+00 3.08498552E-02-2.76092506E-05 3 + 1.45942066E-08-3.00556313E-12-2.90146709E+04 1.71812367E+01 4 + +! Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cs-CsOsHH) + ring(Ethylene_oxide) + radical(Cs_P) +O[C]1CO1(1093) C 2H 3O 2 G 100.000 5000.000 1806.67 1 + 5.07015711E+00 9.03503572E-03 3.99733299E-08-2.85726883E-10 2.68657224E-14 2 +-6.63087714E+03 5.14425995E+00 2.07397514E+00 2.68495034E-02-2.40335989E-05 3 + 1.20229447E-08-2.15036124E-12-7.37300382E+03 1.63212696E+01 4 + +! Thermo library: DFT_QCI_thermo +[O]C1CO1(1094) C 2H 3O 2 G 100.000 5000.000 963.10 1 + 8.61816376E+00 8.57734511E-03-2.87377028E-06 5.45501621E-10-4.15195710E-14 2 +-8.03396311E+03-1.89160949E+01 3.09929860E+00 1.19859799E-02 2.22077872E-05 3 +-3.78527515E-08 1.53864921E-11-6.06596360E+03 1.21998863E+01 4 + +! Thermo group additivity estimation: group(O2s-Cs(Cds-O2d)) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cds-OdCsOs) + ring(2(co)oxirane) +C2H2O3(1097) C 2H 2O 3 G 100.000 5000.000 3040.02 1 + 1.49738675E+01 4.86690484E-03-2.60136437E-06 4.61099030E-10-2.84180456E-14 2 +-5.52286369E+04-5.64854280E+01 3.46934763E+00 2.00043879E-02-1.00704959E-05 3 + 2.09906182E-09-1.63118549E-13-4.82338690E+04 1.18086495E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-Cd)H) + group(O2s-(Cds-Cd)H) + group(O2s-(Cds-Cd)H) + group(Cds-CdsCsCs) + group(Cds-CdsOsH) + +! radical(C=COJ) +C2H3O3(1100) C 2H 3O 3 G 100.000 5000.000 1705.12 1 + 1.86846081E+01-6.60163433E-03 6.37707064E-06-1.35113091E-09 9.31236845E-14 2 +-5.00229452E+04-7.00342525E+01-1.65472798E-02 5.94507650E-02-7.12429586E-05 3 + 3.66261072E-08-6.59360283E-12-4.68699950E+04 2.07119725E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-Cd)H) + group(O2s-(Cds-Cd)H) + group(Cds-CdsCsCs) + group(Cds-CdsHH) +C2H4O2(1116) C 2H 4O 2 G 100.000 5000.000 1681.80 1 + 1.42318512E+01-3.31837671E-05 2.62924531E-06-6.33061757E-10 4.54526167E-14 2 +-4.13290204E+04-4.97369250E+01 1.13794248E+00 4.45302639E-02-4.90870695E-05 3 + 2.46122946E-08-4.41261989E-12-3.88227571E+04 1.45978919E+01 4 + +! Thermo group additivity estimation: group(O2s-(Cds-Cd)H) + group(Cds-CdOsH) + group(CdJ2_singlet-Cds) +C2H2O(1117) C 2H 2O 1 G 100.000 5000.000 1086.63 1 + 8.65369146E+00 1.79596837E-03 5.70369157E-09-7.38177734E-11 7.92373379E-15 2 + 2.53135234E+04-1.99180906E+01 2.75707731E+00 2.64179514E-02-3.80080404E-05 3 + 2.57178234E-08-6.49410302E-12 2.64228607E+04 8.22743096E+00 4 + +! Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-CsH) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cs-CsOsOsH) + ring(Ethylene_oxide) + +! radical(Cs_P) +O[C]1OC1O(1125) C 2H 3O 3 G 100.000 5000.000 1572.19 1 + 9.84646024E+00 6.17639147E-03 1.04969976E-06-4.71882372E-10 4.03176025E-14 2 +-3.25641105E+04-1.83015957E+01 1.68325822E+00 3.86520721E-02-4.11039023E-05 3 + 2.21388944E-08-4.30821024E-12-3.14441140E+04 2.01734426E+01 4 + +! Thermo group additivity estimation: group(O2s-CsCs) + group(O2s-CsH) + group(Cs-CsOsOsH) + group(Cs-CsOsHH) + ring(Ethylene_oxide) + radical(CCsJO) +OC1[CH]O1(1140) C 2H 3O 2 G 100.000 5000.000 1810.99 1 + 6.70004865E+00 6.21330931E-03 1.62187682E-06-5.82335157E-10 4.61620182E-14 2 +-9.32106039E+03-3.99115716E+00 1.58146246E+00 3.25960617E-02-3.27183355E-05 3 + 1.66561856E-08-2.96815811E-12-9.93953944E+03 1.69167074E+01 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +[CH]C(1161) C 2H 4 G 100.000 5000.000 846.12 1 + 2.62340648E+00 1.38429907E-02-6.25545675E-06 1.16704571E-09-7.95368883E-14 2 + 4.32128841E+04 2.66160453E+01 3.36871183E+00 1.64229821E-02-2.16493075E-05 3 + 2.18212148E-08-8.70104852E-12 4.28682829E+04 2.18538607E+01 4 + +END + + + +REACTIONS KCAL/MOLE MOLES + +! Reaction index: Chemkin #1; RMG #8 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), OH(3); H(5), OH(3); H(5), OH(3); +O2(2)+H(5)+H(5)<=>OH(3)+OH(3) 4.000000e+22 -1.835 0.800 + +! Reaction index: Chemkin #2; RMG #14 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), HO2(4); H(5), HO2(4); +O2(2)+H(5)(+M)<=>HO2(4)(+M) 4.660e+12 0.440 0.000 +H2(6)/1.50/ CO2(9)/3.61/ He(15)/0.57/ Ar(14)/0.72/ H2O(17)/16.60/ + LOW/ 1.225e+19 -1.200 0.000 / + TROE/ 0.000e+00 1.75e+03 1e-10 1e+30 / + +! Reaction index: Chemkin #3; RMG #31 +! Library reaction: primaryH2O2 +! Flux pairs: HO2(4), OH(3); H(5), OH(3); +H(5)+HO2(4)<=>OH(3)+OH(3) 7.079000e+13 0.000 0.295 + +! Reaction index: Chemkin #4; RMG #1 +! Library reaction: primaryH2O2 +! Flux pairs: H(5), H2(6); H(5), H2(6); +H(5)+H(5)+M<=>H2(6)+M 7.000e+17 -1.000 0.000 +Ar(14)/0.00/ He(15)/0.00/ N2/0.00/ H(5)/0.00/ H2(6)/0.00/ O2(2)/0.00/ H2O(17)/14.30/ + +! Reaction index: Chemkin #5; RMG #2 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), O2(2); H(5), H2(6); H(5), H2(6); +O2(2)+H(5)+H(5)<=>O2(2)+H2(6) 8.800000e+22 -1.835 0.800 + +! Reaction index: Chemkin #6; RMG #5 +! Library reaction: primaryH2O2 +! Flux pairs: H2(6), H2(6); H(5), H2(6); H(5), H2(6); +H(5)+H(5)+H2(6)<=>H2(6)+H2(6) 1.000000e+17 -0.600 0.000 + +! Reaction index: Chemkin #7; RMG #6 +! Library reaction: primaryH2O2 +! Flux pairs: N2, N2; H(5), H2(6); H(5), H2(6); +N2+H(5)+H(5)<=>N2+H2(6) 5.400000e+18 -1.300 0.000 + +! Reaction index: Chemkin #8; RMG #7 +! Library reaction: primaryH2O2 +! Flux pairs: H(5), H2(6); H(5), H(5); H(5), H(5); +H(5)+H(5)+H(5)<=>H(5)+H2(6) 3.200000e+15 0.000 0.000 + +! Reaction index: Chemkin #9; RMG #32 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), HO2(4); H2(6), H(5); +O2(2)+H2(6)<=>H(5)+HO2(4) 7.400000e+05 2.430 53.500 + +! Reaction index: Chemkin #10; RMG #45 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), OH(3); H2(6), OH(3); +O2(2)+H2(6)<=>OH(3)+OH(3) 2.040000e+12 0.440 69.155 + +! Reaction index: Chemkin #11; RMG #47 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), HO2(4); H2(6), HO2(4); O2(2), HO2(4); +O2(2)+O2(2)+H2(6)<=>HO2(4)+HO2(4) 2.000000e+17 0.000 25.830 + +! Reaction index: Chemkin #12; RMG #603 +! Library reaction: CurranPentane +! Flux pairs: FA(1), CO(8); H(5), H2(6); H(5), OH(3); +H(5)+FA(1)=>OH(3)+H2(6)+CO(8) 6.030000e+13 -0.350 2.988 + +! Reaction index: Chemkin #13; RMG #52 +! Library reaction: NOx2018 +! Flux pairs: CO(8), CO2(9); OH(3), H(5); +OH(3)+CO(8)<=>H(5)+CO2(9) 1.000e+00 0.000 0.000 + PLOG/ 0.013150 2.100e+05 1.900 -1.064 / + PLOG/ 0.131500 2.500e+05 1.880 -1.043 / + PLOG/ 1.315000 8.700e+05 1.730 -0.685 / + PLOG/ 13.158000 6.800e+06 1.480 0.048 / + PLOG/ 131.580000 2.300e+07 1.350 0.974 / + +! Reaction index: Chemkin #14; RMG #54 +! Library reaction: NOx2018 +! Flux pairs: CO(8), CO2(9); HO2(4), OH(3); +HO2(4)+CO(8)<=>OH(3)+CO2(9) 1.600000e+05 2.180 17.943 + +! Reaction index: Chemkin #15; RMG #578 +! Library reaction: NOx2018 +! Flux pairs: FA(1), H2(6); FA(1), CO2(9); +! Reaction library: 'NOx2018' +FA(1)(+M)<=>H2(6)+CO2(9)(+M) 4.500e+13 0.000 68.240 + + LOW/ 1.700e+15 0.000 51.110 / + +! Reaction index: Chemkin #16; RMG #602 +! Library reaction: CurranPentane +! Flux pairs: FA(1), CO2(9); H(5), H(5); H(5), H2(6); +H(5)+FA(1)=>H(5)+H2(6)+CO2(9) 4.240000e+06 2.100 4.868 + +! Reaction index: Chemkin #17; RMG #53 +! Library reaction: NOx2018 +! Flux pairs: OH(3), HOCO(10); CO(8), HOCO(10); +! Reaction library: 'NOx2018' +OH(3)+CO(8)<=>HOCO(10) 1.000e+00 0.000 0.000 + PLOG/ 0.013158 1.700e+15 -2.680 0.859 / + PLOG/ 0.131580 5.900e+18 -3.350 0.887 / + PLOG/ 1.315800 2.600e+20 -3.500 1.309 / + PLOG/ 13.158000 7.100e+20 -3.320 1.763 / + PLOG/ 131.580000 1.100e+20 -2.780 2.056 / + +! Reaction index: Chemkin #18; RMG #57 +! Library reaction: NOx2018 +! Flux pairs: HOCO(10), H(5); HOCO(10), CO2(9); +! Reaction library: 'NOx2018' +HOCO(10)(+M)<=>H(5)+CO2(9)(+M) 8.200e+11 0.413 35.335 + + LOW/ 6.000e+26 -3.148 37.116 / + TROE/ 3.900e-01 1e-30 1e+30 / + +! Reaction index: Chemkin #19; RMG #58 +! Library reaction: NOx2018 +! Flux pairs: HOCO(10), CO2(9); H(5), H2(6); +H(5)+HOCO(10)<=>H2(6)+CO2(9) 3.100000e+17 -1.347 0.555 + +! Reaction index: Chemkin #20; RMG #63 +! Library reaction: NOx2018 +! Flux pairs: HOCO(10), CO2(9); O2(2), HO2(4); +O2(2)+HOCO(10)<=>HO2(4)+CO2(9) 4.000000e+09 1.000 0.000 + +! Reaction index: Chemkin #21; RMG #579 +! Library reaction: NOx2018 +! Flux pairs: FA(1), HOCO(10); H(5), H2(6); +H(5)+FA(1)<=>H2(6)+HOCO(10) 2.300000e+02 3.272 4.858 + +! Reaction index: Chemkin #22; RMG #587 +! Library reaction: NOx2018 +! Flux pairs: HOCO(10), FA(1); HO2(4), O2(2); +HO2(4)+HOCO(10)<=>O2(2)+FA(1) 4.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #23; RMG #580 +! Library reaction: NOx2018 +! Flux pairs: FA(1), OCHO(11); H(5), H2(6); +H(5)+FA(1)<=>H2(6)+OCHO(11) 4.200000e+05 2.255 14.091 + +! Reaction index: Chemkin #24; RMG #588 +! Library reaction: NOx2018 +! Flux pairs: FA(1), OCHO(11); O2(2), HO2(4); +O2(2)+FA(1)<=>HO2(4)+OCHO(11) 3.000000e+13 0.000 63.000 + +! Reaction index: Chemkin #25; RMG #590 +! Library reaction: NOx2018 +! Flux pairs: OCHO(11), CO2(9); O2(2), HO2(4); +O2(2)+OCHO(11)<=>HO2(4)+CO2(9) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #26; RMG #4158 +! PDep reaction: PDepNetwork #7 +! Flux pairs: OCHO(11), H(5); OCHO(11), CO2(9); +OCHO(11)(+M)<=>H(5)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.565e+00 6.673e-01 -2.084e-01 1.725e-02 / + CHEB/ -1.285e-01 2.458e-01 7.129e-03 -2.235e-02 / + CHEB/ -8.414e-03 8.973e-02 2.449e-02 -4.443e-03 / + CHEB/ 1.284e-02 5.436e-02 1.864e-02 -1.028e-04 / + CHEB/ 1.500e-02 3.701e-02 1.324e-02 5.501e-04 / + CHEB/ 1.264e-02 2.402e-02 8.763e-03 5.038e-04 / + +! Reaction index: Chemkin #27; RMG #65 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), H2(6); CH2O(12), CO(8); +! Reaction library: 'NOx2018' +CH2O(12)(+M)<=>H2(6)+CO(8)(+M) 3.700e+13 0.000 71.969 + + LOW/ 4.400e+38 -6.100 93.932 / + +! Reaction index: Chemkin #28; RMG #67 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), CO(8); H(5), H(5); H(5), H2(6); +H(5)+CH2O(12)<=>H(5)+H2(6)+CO(8) 1.000e+00 0.000 0.000 + PLOG/ 0.040000 7.200e+08 1.903 11.733 / + PLOG/ 1.000000 5.100e+07 2.182 11.524 / + PLOG/ 10.000000 1.100e+09 1.812 13.163 / + +! Reaction index: Chemkin #29; RMG #75 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), CO(8); O2(2), H(5); O2(2), HO2(4); +O2(2)+CH2O(12)<=>H(5)+HO2(4)+CO(8) 1.400000e+15 0.027 56.388 + +! Reaction index: Chemkin #30; RMG #102 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CH2O(12); OH(3), H2(6); +OH(3)+CH3(7)<=>H2(6)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.001316 3.900e+09 0.254 -1.221 / + PLOG/ 0.013158 2.000e+10 0.060 -0.624 / + PLOG/ 0.131579 2.800e+11 -0.250 0.498 / + PLOG/ 1.315790 3.600e+12 -0.532 2.042 / + PLOG/ 13.157900 2.200e+12 -0.432 3.415 / + PLOG/ 131.579000 2.400e+09 0.453 3.791 / + +! Reaction index: Chemkin #31; RMG #108 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CH2O(12); O2(2), OH(3); +O2(2)+CH3(7)<=>OH(3)+CH2O(12) 1.900000e+11 0.000 9.842 + +! Reaction index: Chemkin #32; RMG #64 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), H(5); CH2O(12), HCO(13); +! Reaction library: 'NOx2018' +CH2O(12)(+M)<=>H(5)+HCO(13)(+M) 8.000e+15 0.000 87.726 + + LOW/ 1.300e+36 -5.500 93.932 / + +! Reaction index: Chemkin #33; RMG #66 +! Library reaction: NOx2018 +H(5)+CH2O(12)<=>H2(6)+HCO(13) 1.000e+00 0.000 0.000 + PLOG/ 0.040000 7.400e+23 -2.732 16.379 / + PLOG/ 1.000000 1.400e+23 -2.355 17.519 / + PLOG/ 10.000000 7.300e+23 -2.665 17.634 / +DUPLICATE +! Reaction index: Chemkin #34; RMG #66 +! Library reaction: NOx2018 +H(5)+CH2O(12)<=>H2(6)+HCO(13) 1.000e+00 0.000 0.000 + PLOG/ 0.040000 2.100e+10 1.057 3.720 / + PLOG/ 1.000000 1.600e+15 -0.444 5.682 / + PLOG/ 10.000000 4.200e+09 1.294 3.591 / +DUPLICATE + + +! Reaction index: Chemkin #35; RMG #74 +! Library reaction: NOx2018 +O2(2)+CH2O(12)<=>HO2(4)+HCO(13) 1.800000e+16 -0.639 45.400 +DUPLICATE +! Reaction index: Chemkin #36; RMG #74 +! Library reaction: NOx2018 +O2(2)+CH2O(12)<=>HO2(4)+HCO(13) 6.600000e+08 1.360 37.324 +DUPLICATE + + +! Reaction index: Chemkin #37; RMG #76 +! Library reaction: NOx2018 +! Flux pairs: HCO(13), H(5); HCO(13), CO(8); +! Reaction library: 'NOx2018' +HCO(13)(+M)<=>H(5)+CO(8)(+M) 4.900e+16 -0.930 19.724 +He(15)/1.30/ O2(2)/1.50/ N2/1.50/ CO(8)/1.50/ CH4(20)/5.00/ CO2(9)/3.00/ H2O(17)/15.00/ H2(6)/2.00/ + LOW/ 7.400e+21 -2.360 19.383 / + TROE/ 1.030e-01 139 1.09e+04 4.55e+03 / + +! Reaction index: Chemkin #38; RMG #77 +! Library reaction: NOx2018 +! Flux pairs: HCO(13), CO(8); H(5), H2(6); +H(5)+HCO(13)<=>H2(6)+CO(8) 1.100000e+14 0.000 0.000 + +! Reaction index: Chemkin #39; RMG #81 +! Library reaction: NOx2018 +! Flux pairs: HCO(13), CO(8); O2(2), HO2(4); +O2(2)+HCO(13)<=>HO2(4)+CO(8) 6.900000e+06 1.900 -1.369 + +! Reaction index: Chemkin #40; RMG #82 +! Library reaction: NOx2018 +! Flux pairs: HCO(13), CO2(9); HO2(4), H(5); HO2(4), OH(3); +HO2(4)+HCO(13)<=>H(5)+OH(3)+CO2(9) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #41; RMG #83 +! Library reaction: NOx2018 +! Flux pairs: HCO(13), CH2O(12); HCO(13), CO(8); +HCO(13)+HCO(13)<=>CO(8)+CH2O(12) 2.700000e+13 0.000 0.000 + +! Reaction index: Chemkin #42; RMG #596 +! Library reaction: CurranPentane +! Flux pairs: HCO(13), CO(8); HCO(13), H2(6); HCO(13), CO(8); +HCO(13)+HCO(13)=>H2(6)+CO(8)+CO(8) 3.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #43; RMG #607 +! Library reaction: CurranPentane +! Flux pairs: OCHO(11), FA(1); CH2O(12), HCO(13); +OCHO(11)+CH2O(12)<=>HCO(13)+FA(1) 5.600000e+12 0.000 13.600 + +! Reaction index: Chemkin #44; RMG #4447 +! PDep reaction: PDepNetwork #61 +! Flux pairs: OH(3), FA(1); HCO(13), FA(1); +OH(3)+HCO(13)(+M)<=>FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.157e+01 1.478e+00 -2.519e-02 -1.099e-02 / + CHEB/ -7.304e-01 4.219e-02 2.454e-02 1.034e-02 / + CHEB/ -2.546e-01 -1.074e-03 -2.766e-04 2.022e-04 / + CHEB/ -1.085e-01 -7.058e-04 -4.310e-04 -1.961e-04 / + CHEB/ -5.057e-02 -5.459e-05 -4.598e-05 -3.285e-05 / + CHEB/ -2.194e-02 -1.333e-04 -8.022e-05 -3.648e-05 / + +! Reaction index: Chemkin #45; RMG #4616 +! PDep reaction: PDepNetwork #87 +! Flux pairs: H(5), FA(1); OCHO(11), FA(1); +H(5)+OCHO(11)(+M)<=>FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.109e+01 1.491e+00 -1.781e-02 -7.952e-03 / + CHEB/ -7.135e-01 3.185e-02 1.885e-02 8.239e-03 / + CHEB/ -2.692e-01 -1.928e-03 -9.473e-04 -2.357e-04 / + CHEB/ -1.145e-01 -8.557e-04 -5.333e-04 -2.562e-04 / + CHEB/ -5.190e-02 -9.656e-05 -6.857e-05 -4.091e-05 / + CHEB/ -2.153e-02 -1.023e-04 -6.224e-05 -2.893e-05 / + +! Reaction index: Chemkin #46; RMG #4452 +! PDep reaction: PDepNetwork #62 +! Flux pairs: H(5), FA(1); HOCO(10), FA(1); +H(5)+HOCO(10)(+M)<=>FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.015e+01 1.432e+00 -4.960e-02 -1.921e-02 / + CHEB/ -2.057e+00 9.310e-02 5.040e-02 1.813e-02 / + CHEB/ -6.134e-01 -2.825e-03 6.002e-05 1.423e-03 / + CHEB/ -2.267e-01 -3.190e-03 -1.859e-03 -7.446e-04 / + CHEB/ -9.174e-02 -6.864e-04 -4.940e-04 -2.910e-04 / + CHEB/ -3.706e-02 -3.050e-04 -1.917e-04 -9.648e-05 / + +! Reaction index: Chemkin #47; RMG #11 +! Library reaction: primaryH2O2 +! Flux pairs: H2O(17), H(5); H2O(17), OH(3); +H2O(17)+M<=>H(5)+OH(3)+M 6.060e+27 -3.312 120.770 +He(15)/1.10/ O2(2)/0.00/ CO(8)/1.90/ CO2(9)/3.80/ N2/2.00/ H2O(17)/0.00/ H2(6)/3.00/ + +! Reaction index: Chemkin #48; RMG #12 +! Library reaction: primaryH2O2 +! Flux pairs: H2O(17), H2O(17); H2O(17), H(5); H2O(17), OH(3); +H2O(17)+H2O(17)<=>H(5)+OH(3)+H2O(17) 1.000000e+26 -2.440 120.160 + +! Reaction index: Chemkin #49; RMG #13 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), O2(2); H(5), H2O(17); OH(3), H2O(17); +O2(2)+H(5)+OH(3)<=>O2(2)+H2O(17) 2.560000e+22 -1.835 0.800 + +! Reaction index: Chemkin #50; RMG #17 +! Library reaction: primaryH2O2 +! Flux pairs: HO2(4), O2(2); OH(3), H2O(17); +OH(3)+HO2(4)<=>O2(2)+H2O(17) 2.140000e+06 1.650 2.180 + +! Reaction index: Chemkin #51; RMG #22 +! Library reaction: primaryH2O2 +! Flux pairs: H2O(17), HO2(4); OH(3), H2(6); +OH(3)+H2O(17)<=>HO2(4)+H2(6) 7.900000e+09 0.430 71.700 + +! Reaction index: Chemkin #52; RMG #29 +! Library reaction: primaryH2O2 +! Flux pairs: OH(3), H2O(17); H2(6), H(5); +OH(3)+H2(6)<=>H(5)+H2O(17) 2.140000e+08 1.520 3.450 + +! Reaction index: Chemkin #53; RMG #59 +! Library reaction: NOx2018 +! Flux pairs: HOCO(10), CO(8); H(5), H2O(17); +H(5)+HOCO(10)<=>H2O(17)+CO(8) 6.000000e+15 -0.525 2.125 + +! Reaction index: Chemkin #54; RMG #61 +! Library reaction: NOx2018 +OH(3)+HOCO(10)<=>H2O(17)+CO2(9) 4.600000e+12 0.000 -0.089 +DUPLICATE +! Reaction index: Chemkin #55; RMG #61 +! Library reaction: NOx2018 +OH(3)+HOCO(10)<=>H2O(17)+CO2(9) 9.500000e+06 2.000 -0.089 +DUPLICATE + + +! Reaction index: Chemkin #56; RMG #70 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), HCO(13); OH(3), H2O(17); +OH(3)+CH2O(12)<=>H2O(17)+HCO(13) 1.000e+00 0.000 0.000 + PLOG/ 0.040000 3.600e+09 1.167 -0.206 / + PLOG/ 1.000000 1.900e+09 1.256 -0.302 / + PLOG/ 10.000000 1.100e+09 1.330 -0.392 / + +! Reaction index: Chemkin #57; RMG #71 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), CO(8); OH(3), H(5); OH(3), H2O(17); +OH(3)+CH2O(12)<=>H(5)+H2O(17)+CO(8) 1.000e+00 0.000 0.000 + PLOG/ 0.040000 7.000e+10 0.911 8.646 / + PLOG/ 1.000000 7.200e+10 0.892 9.310 / + PLOG/ 10.000000 8.400e+10 0.879 9.843 / + +! Reaction index: Chemkin #58; RMG #80 +! Library reaction: NOx2018 +! Flux pairs: HCO(13), CO(8); OH(3), H2O(17); +OH(3)+HCO(13)<=>H2O(17)+CO(8) 1.100000e+14 0.000 0.000 + +! Reaction index: Chemkin #59; RMG #577 +! Library reaction: NOx2018 +! Flux pairs: FA(1), H2O(17); FA(1), CO(8); +! Reaction library: 'NOx2018' +FA(1)(+M)<=>H2O(17)+CO(8)(+M) 7.500e+14 0.000 68.710 + + LOW/ 4.100e+15 0.000 52.980 / + +! Reaction index: Chemkin #60; RMG #583 +! Library reaction: NOx2018 +! Flux pairs: FA(1), HOCO(10); OH(3), H2O(17); +OH(3)+FA(1)<=>H2O(17)+HOCO(10) 7.800000e-06 5.570 -2.365 + +! Reaction index: Chemkin #61; RMG #584 +! Library reaction: NOx2018 +! Flux pairs: FA(1), OCHO(11); OH(3), H2O(17); +OH(3)+FA(1)<=>H2O(17)+OCHO(11) 4.900000e-05 4.910 -5.067 + +! Reaction index: Chemkin #62; RMG #600 +! Library reaction: CurranPentane +! Flux pairs: FA(1), CO2(9); OH(3), H(5); OH(3), H2O(17); +OH(3)+FA(1)=>H(5)+H2O(17)+CO2(9) 2.620000e+06 2.060 0.916 + +! Reaction index: Chemkin #63; RMG #601 +! Library reaction: CurranPentane +! Flux pairs: FA(1), CO(8); OH(3), OH(3); OH(3), H2O(17); +OH(3)+FA(1)=>OH(3)+H2O(17)+CO(8) 1.850000e+07 1.510 -0.962 + +! Reaction index: Chemkin #64; RMG #4188 +! Template reaction: CO_Disproportionation +! Flux pairs: OCHO(11), FA(1); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+OCHO(11)<=>CO(8)+FA(1) 1.806000e+14 0.000 0.000 + +! Reaction index: Chemkin #65; RMG #4189 +! Template reaction: CO_Disproportionation +! Flux pairs: HOCO(10), FA(1); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C_Sp-5O-4C +HCO(13)+HOCO(10)<=>CO(8)+FA(1) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #66; RMG #4192 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), FA(1); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+OCHO(11)<=>CO2(9)+FA(1) 3.620000e+13 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #67; RMG #4193 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), FA(1); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+OCHO(11)<=>CO2(9)+FA(1) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #68; RMG #4194 +! Template reaction: Disproportionation +! Flux pairs: HOCO(10), FA(1); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+HOCO(10)<=>CO2(9)+FA(1) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #69; RMG #4195 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), FA(1); HOCO(10), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+OCHO(11)<=>CO2(9)+FA(1) 1.356420e+10 0.470 0.000 +DUPLICATE + +! Reaction index: Chemkin #70; RMG #4196 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); OCHO(11), FA(1); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+FA(1)<=>HOCO(10)+FA(1) 1.968453e+09 1.062 12.422 + +! Reaction index: Chemkin #71; RMG #4218 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +H(5)+OCHO(11)<=>H2(6)+CO2(9) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #72; RMG #4222 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), CH2O(12); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HCO(13)+HOCO(10)<=>CO2(9)+CH2O(12) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #73; RMG #4223 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCO(13)+OCHO(11)<=>CO2(9)+CH2O(12) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #74; RMG #4226 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+OCHO(11)<=>H2O(17)+CO2(9) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #75; RMG #4229 +! PDep reaction: PDepNetwork #7 +! Flux pairs: OCHO(11), HOCO(10); +OCHO(11)(+M)<=>HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.349e-01 2.353e+00 -2.303e-01 -2.086e-02 / + CHEB/ 8.198e+00 2.484e-01 2.870e-02 -2.605e-02 / + CHEB/ -2.888e-01 3.803e-02 1.740e-02 1.804e-03 / + CHEB/ -1.759e-01 5.248e-04 5.749e-03 4.135e-03 / + CHEB/ -6.121e-02 -3.075e-03 -2.830e-05 1.297e-03 / + CHEB/ -2.671e-02 -1.578e-03 -2.772e-06 5.009e-04 / + +! Reaction index: Chemkin #76; RMG #4246 +! PDep reaction: PDepNetwork #27 +! Flux pairs: OH(3), OCHO(11); CO(8), OCHO(11); +OH(3)+CO(8)(+M)<=>OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.114e+00 8.551e-01 -2.236e-01 -2.089e-02 / + CHEB/ 4.019e+00 2.701e-01 3.820e-02 -2.453e-02 / + CHEB/ -3.331e-01 4.395e-02 2.104e-02 3.041e-03 / + CHEB/ -1.680e-01 1.727e-03 6.623e-03 4.556e-03 / + CHEB/ -9.190e-02 -2.518e-03 2.558e-04 1.357e-03 / + CHEB/ -4.562e-02 -8.871e-04 2.182e-04 4.784e-04 / + +! Reaction index: Chemkin #77; RMG #4264 +! PDep reaction: PDepNetwork #42 +! Flux pairs: CO(8), CO2(9); H2O(17), H2(6); +H2O(17)+CO(8)(+M)<=>H2(6)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.537e+01 -9.325e-01 -7.606e-02 4.855e-03 / + CHEB/ 2.160e+01 7.260e-01 -1.846e-02 -1.434e-02 / + CHEB/ 2.864e-01 2.160e-01 5.108e-02 -6.169e-03 / + CHEB/ 4.562e-02 3.563e-03 2.989e-02 5.278e-03 / + CHEB/ 1.045e-02 -2.852e-02 3.547e-03 4.551e-03 / + CHEB/ 4.794e-03 -1.604e-02 -3.761e-03 9.323e-04 / + +! Reaction index: Chemkin #78; RMG #4449 +! PDep reaction: PDepNetwork #61 +! Flux pairs: HCO(13), CO2(9); OH(3), H2(6); +OH(3)+HCO(13)(+M)<=>H2(6)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.264e+01 -4.164e-02 -2.460e-02 -1.073e-02 / + CHEB/ 7.952e-03 4.243e-02 2.471e-02 1.044e-02 / + CHEB/ -1.041e-02 -1.246e-03 -3.773e-04 1.592e-04 / + CHEB/ -6.316e-03 -8.745e-04 -5.348e-04 -2.452e-04 / + CHEB/ -3.029e-03 -1.522e-04 -1.064e-04 -6.170e-05 / + CHEB/ -2.364e-03 -1.725e-04 -1.047e-04 -4.844e-05 / + +! Reaction index: Chemkin #79; RMG #4618 +! PDep reaction: PDepNetwork #87 +! Flux pairs: OCHO(11), CO2(9); H(5), H2(6); +H(5)+OCHO(11)(+M)<=>H2(6)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.239e+01 -2.901e-02 -1.734e-02 -7.744e-03 / + CHEB/ 1.200e-01 3.178e-02 1.882e-02 8.242e-03 / + CHEB/ 1.160e-02 -2.184e-03 -1.104e-03 -3.083e-04 / + CHEB/ -9.448e-04 -9.994e-04 -6.227e-04 -2.994e-04 / + CHEB/ -1.535e-03 -1.429e-04 -9.765e-05 -5.520e-05 / + CHEB/ -1.695e-03 -1.058e-04 -6.470e-05 -3.034e-05 / + +! Reaction index: Chemkin #80; RMG #4617 +! PDep reaction: PDepNetwork #87 +! Flux pairs: OCHO(11), CO(8); H(5), H2O(17); +H(5)+OCHO(11)(+M)<=>H2O(17)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.358e+01 -2.900e-02 -1.733e-02 -7.741e-03 / + CHEB/ 1.292e-01 3.178e-02 1.882e-02 8.242e-03 / + CHEB/ 1.340e-02 -2.189e-03 -1.106e-03 -3.095e-04 / + CHEB/ -4.192e-04 -1.002e-03 -6.240e-04 -3.001e-04 / + CHEB/ -1.911e-03 -1.434e-04 -9.796e-05 -5.536e-05 / + CHEB/ -1.269e-03 -1.058e-04 -6.465e-05 -3.031e-05 / + +! Reaction index: Chemkin #81; RMG #4704 +! PDep reaction: PDepNetwork #60 +! Flux pairs: CH2O(12), FA(1); OH(3), H(5); +OH(3)+CH2O(12)(+M)<=>H(5)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.637e+00 -1.609e-02 -9.765e-03 -4.495e-03 / + CHEB/ 2.062e+00 1.586e-02 9.565e-03 4.345e-03 / + CHEB/ 1.610e-01 -1.539e-03 -8.881e-04 -3.667e-04 / + CHEB/ 5.022e-02 -1.553e-03 -9.469e-04 -4.401e-04 / + CHEB/ 1.811e-02 -1.336e-04 -8.920e-05 -4.863e-05 / + CHEB/ 7.045e-03 1.510e-04 9.150e-05 4.194e-05 / + +! Reaction index: Chemkin #82; RMG #4272 +! PDep reaction: PDepNetwork #26 +! Flux pairs: O2(2), CHO4(985); HOCO(10), CHO4(985); +O2(2)+HOCO(10)(+M)<=>CHO4(985)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.216e+01 6.390e-01 -8.955e-02 7.224e-03 / + CHEB/ -1.085e+00 6.526e-01 5.165e-03 -1.652e-02 / + CHEB/ -4.827e-01 1.576e-01 4.394e-02 -1.885e-03 / + CHEB/ -1.480e-01 -3.494e-03 1.438e-02 4.260e-03 / + CHEB/ -1.670e-02 -2.019e-02 -1.762e-03 1.357e-03 / + CHEB/ 1.594e-02 -8.659e-03 -2.976e-03 -4.392e-04 / + +! Reaction index: Chemkin #83; RMG #4318 +! PDep reaction: PDepNetwork #46 +! Flux pairs: CHO4(985), HO2(4); CHO4(985), CO2(9); +CHO4(985)(+M)<=>HO2(4)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.347e-01 3.358e-01 -6.850e-03 -3.542e-03 / + CHEB/ 8.499e+00 5.310e-01 3.624e-03 -7.657e-03 / + CHEB/ -5.785e-01 2.670e-01 1.942e-02 -4.130e-03 / + CHEB/ -2.593e-01 8.210e-02 1.216e-02 2.646e-04 / + CHEB/ -7.923e-02 1.417e-02 -9.094e-04 1.005e-03 / + CHEB/ -9.489e-03 4.298e-03 -5.426e-03 -1.104e-04 / + +! Reaction index: Chemkin #84; RMG #23 +! Library reaction: primaryH2O2 +! Flux pairs: H2O2(18), OH(3); H2O2(18), OH(3); +H2O2(18)(+M)<=>OH(3)+OH(3)(+M) 2.000e+12 0.900 48.750 +N2/1.50/ H2O(17)/7.50/ H2O2(18)/7.70/ H2(6)/3.70/ He(15)/0.65/ O2(2)/1.20/ CO(8)/2.80/ CO2(9)/1.60/ + LOW/ 2.490e+24 -2.300 48.750 / + TROE/ 4.200e-01 1e+30 1e+30 / + +! Reaction index: Chemkin #85; RMG #24 +! Library reaction: primaryH2O2 +! Flux pairs: H2O2(18), HO2(4); H(5), H2(6); +H(5)+H2O2(18)<=>HO2(4)+H2(6) 5.020000e+06 2.070 4.300 + +! Reaction index: Chemkin #86; RMG #25 +! Library reaction: primaryH2O2 +! Flux pairs: H2O2(18), H2O(17); H(5), OH(3); +H(5)+H2O2(18)<=>OH(3)+H2O(17) 2.030000e+07 2.020 2.620 + +! Reaction index: Chemkin #87; RMG #27 +! Library reaction: primaryH2O2 +OH(3)+H2O2(18)<=>HO2(4)+H2O(17) 1.740000e+12 0.000 0.318 +DUPLICATE +! Reaction index: Chemkin #88; RMG #27 +! Library reaction: primaryH2O2 +OH(3)+H2O2(18)<=>HO2(4)+H2O(17) 7.590000e+13 0.000 7.269 +DUPLICATE + + +! Reaction index: Chemkin #89; RMG #33 +! Library reaction: primaryH2O2 +HO2(4)+HO2(4)<=>O2(2)+H2O2(18) 1.030000e+14 0.000 11.040 +DUPLICATE +! Reaction index: Chemkin #90; RMG #33 +! Library reaction: primaryH2O2 +HO2(4)+HO2(4)<=>O2(2)+H2O2(18) 1.940000e+11 0.000 -1.409 +DUPLICATE + + +! Reaction index: Chemkin #91; RMG #34 +! Library reaction: primaryH2O2 +! Flux pairs: HO2(4), H2O2(18); HO2(4), O2(2); +HO2(4)+HO2(4)+M<=>O2(2)+H2O2(18)+M 6.840e+14 0.000 -1.950 + + +! Reaction index: Chemkin #92; RMG #49 +! Library reaction: primaryH2O2 +! Flux pairs: H(5), H2O2(18); HO2(4), H2O2(18); +H(5)+HO2(4)+M<=>H2O2(18)+M 6.000e+14 1.250 -0.270 + + +! Reaction index: Chemkin #93; RMG #56 +! Library reaction: NOx2018 +! Flux pairs: CO(8), HOCO(10); H2O2(18), OH(3); +H2O2(18)+CO(8)<=>OH(3)+HOCO(10) 3.600000e+04 2.500 28.660 + +! Reaction index: Chemkin #94; RMG #62 +! Library reaction: NOx2018 +! Flux pairs: HOCO(10), CO2(9); HO2(4), H2O2(18); +HO2(4)+HOCO(10)<=>H2O2(18)+CO2(9) 4.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #95; RMG #72 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), HCO(13); HO2(4), H2O2(18); +HO2(4)+CH2O(12)<=>H2O2(18)+HCO(13) 4.400000e+08 1.298 12.129 + +! Reaction index: Chemkin #96; RMG #73 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), CO(8); HO2(4), H(5); HO2(4), H2O2(18); +HO2(4)+CH2O(12)<=>H(5)+H2O2(18)+CO(8) 2.500000e+14 0.027 30.120 + +! Reaction index: Chemkin #97; RMG #585 +! Library reaction: NOx2018 +! Flux pairs: FA(1), HOCO(10); HO2(4), H2O2(18); +HO2(4)+FA(1)<=>H2O2(18)+HOCO(10) 4.700000e-01 3.975 16.787 + +! Reaction index: Chemkin #98; RMG #586 +! Library reaction: NOx2018 +! Flux pairs: FA(1), OCHO(11); HO2(4), H2O2(18); +HO2(4)+FA(1)<=>H2O2(18)+OCHO(11) 3.900000e+01 3.080 25.206 + +! Reaction index: Chemkin #99; RMG #605 +! Library reaction: CurranPentane +! Flux pairs: FA(1), CO(8); HO2(4), OH(3); HO2(4), H2O2(18); +HO2(4)+FA(1)=>OH(3)+H2O2(18)+CO(8) 1.000000e+12 0.000 11.920 + +! Reaction index: Chemkin #100; RMG #4342 +! Template reaction: CO_Disproportionation +! Flux pairs: HO2(4), H2O2(18); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_N-4CO->C +HO2(4)+HCO(13)<=>H2O2(18)+CO(8) 5.120000e+13 0.000 0.000 + +! Reaction index: Chemkin #101; RMG #4343 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+OCHO(11)<=>H2O2(18)+CO2(9) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #102; RMG #4316 +! Template reaction: H_Abstraction +! Flux pairs: CH2O4(1005), CHO4(985); OCHO(11), FA(1); +! Estimated using an average for rate rule [O/H/NonDeO;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+CH2O4(1005)<=>CHO4(985)+FA(1) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #103; RMG #4317 +! Template reaction: H_Abstraction +! Flux pairs: CH2O4(1005), CHO4(985); HOCO(10), FA(1); +! Estimated using an average for rate rule [O/H/NonDeO;CO_rad/NonDe] +! Euclidian distance = 0 +! family: H_Abstraction +HOCO(10)+CH2O4(1005)<=>CHO4(985)+FA(1) 1.582731e-04 4.663 41.320 + +! Reaction index: Chemkin #104; RMG #4350 +! Template reaction: H_Abstraction +! Flux pairs: CH2O4(1005), CHO4(985); H(5), H2(6); +! From training reaction 203 used for O/H/NonDeO;H_rad +! Exact match found for rate rule [O/H/NonDeO;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+CH2O4(1005)<=>H2(6)+CHO4(985) 5.400000e+10 0.000 1.860 + +! Reaction index: Chemkin #105; RMG #4351 +! Template reaction: H_Abstraction +! Flux pairs: CH2O4(1005), CHO4(985); OH(3), H2O(17); +! From training reaction 206 used for O/H/NonDeO;O_pri_rad +! Exact match found for rate rule [O/H/NonDeO;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +! Ea raised from -1.8 to -1.8 kJ/mol. +OH(3)+CH2O4(1005)<=>H2O(17)+CHO4(985) 1.100000e+12 0.000 -0.437 + +! Reaction index: Chemkin #106; RMG #4352 +! Template reaction: H_Abstraction +! Flux pairs: CH2O4(1005), CHO4(985); HO2(4), H2O2(18); +! From training reaction 208 used for O/H/NonDeO;O_rad/NonDeO +! Exact match found for rate rule [O/H/NonDeO;O_rad/NonDeO] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(4)+CH2O4(1005)<=>H2O2(18)+CHO4(985) 4.100000e+04 2.500 10.697 + +! Reaction index: Chemkin #107; RMG #4353 +! Template reaction: H_Abstraction +! Flux pairs: CHO4(985), CH2O4(1005); HO2(4), O2(2); +! From training reaction 244 used for Orad_O_H;OOC +! Exact match found for rate rule [Orad_O_H;OOC] +! Euclidian distance = 0 +! family: H_Abstraction +! Ea raised from -8.2 to -8.2 kJ/mol. +HO2(4)+CHO4(985)<=>O2(2)+CH2O4(1005) 1.200000e+11 0.000 -1.950 + +! Reaction index: Chemkin #108; RMG #4380 +! Template reaction: CO_Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_N-4CO->C +HCO(13)+CHO4(985)<=>CO(8)+CH2O4(1005) 5.120000e+13 0.000 0.000 + +! Reaction index: Chemkin #109; RMG #4382 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+CHO4(985)<=>CO2(9)+CH2O4(1005) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #110; RMG #4384 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+CHO4(985)<=>CO2(9)+CH2O4(1005) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #111; RMG #4639 +! PDep reaction: PDepNetwork #90 +! Flux pairs: HO2(4), CH2O4(1005); HOCO(10), CH2O4(1005); +HO2(4)+HOCO(10)(+M)<=>CH2O4(1005)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.061e+01 1.405e+00 -6.133e-02 -2.124e-02 / + CHEB/ -1.128e+00 1.446e-01 7.397e-02 2.323e-02 / + CHEB/ -3.106e-01 -2.575e-02 -9.487e-03 1.862e-04 / + CHEB/ -6.756e-02 -5.341e-03 -4.318e-03 -2.576e-03 / + CHEB/ 1.251e-02 -4.244e-04 -3.992e-04 -3.808e-04 / + CHEB/ 3.017e-02 5.240e-05 6.380e-05 5.148e-05 / + +! Reaction index: Chemkin #112; RMG #5572 +! PDep reaction: PDepNetwork #169 +! Flux pairs: H(5), CH2O4(1005); CHO4(985), CH2O4(1005); +H(5)+CHO4(985)(+M)<=>CH2O4(1005)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.100e+01 1.445e+00 -4.222e-02 -1.620e-02 / + CHEB/ -6.534e-01 1.015e-01 5.519e-02 2.008e-02 / + CHEB/ -1.451e-01 -2.632e-02 -1.253e-02 -2.981e-03 / + CHEB/ -6.729e-04 -1.020e-03 -1.626e-03 -1.492e-03 / + CHEB/ 3.729e-02 7.010e-04 4.837e-04 2.203e-04 / + CHEB/ 3.985e-02 -6.330e-05 -2.190e-06 3.928e-05 / + +! Reaction index: Chemkin #113; RMG #4418 +! PDep reaction: PDepNetwork #50 +! Flux pairs: CHO3(986), OH(3); CHO3(986), CO2(9); +CHO3(986)(+M)<=>OH(3)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.887e+00 1.408e+00 -4.386e-02 -7.851e-03 / + CHEB/ 3.453e-01 1.300e-01 4.835e-02 6.695e-03 / + CHEB/ -2.000e-01 -1.036e-02 -2.019e-03 1.336e-03 / + CHEB/ -8.362e-02 -5.574e-03 -1.863e-03 -3.520e-05 / + CHEB/ 2.161e-03 -4.048e-03 -1.572e-03 -4.059e-04 / + CHEB/ 1.907e-02 -1.093e-03 -6.572e-04 -3.146e-04 / + +! Reaction index: Chemkin #114; RMG #4436 +! PDep reaction: PDepNetwork #57 +! Flux pairs: OH(3), CH2O4(1005); CHO3(986), CH2O4(1005); +OH(3)+CHO3(986)(+M)<=>CH2O4(1005)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.303e+01 4.235e-01 -4.511e-02 1.367e-03 / + CHEB/ -9.646e-01 6.478e-01 -4.000e-02 -5.335e-03 / + CHEB/ -5.880e-01 2.968e-01 1.982e-02 -6.976e-03 / + CHEB/ -2.691e-01 6.430e-02 2.759e-02 1.907e-04 / + CHEB/ -8.756e-02 -1.599e-02 9.772e-03 3.572e-03 / + CHEB/ -1.043e-02 -2.143e-02 -1.970e-03 1.738e-03 / + +! Reaction index: Chemkin #115; RMG #4408 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); HOCO(10), FA(1); +! Estimated using an average for rate rule [CO_pri;CO_rad/NonDe] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HOCO(10)+CH2O(12)<=>HCO(13)+FA(1) 1.810000e+11 0.000 12.920 + +! Reaction index: Chemkin #116; RMG #4417 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); CHO4(985), CH2O4(1005); +! Estimated using template [CO_pri;O_rad/NonDeO] for rate rule [CO_pri;OOC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO4(985)+CH2O(12)<=>HCO(13)+CH2O4(1005) 4.120000e+04 2.500 10.210 + +! Reaction index: Chemkin #117; RMG #9 +! Library reaction: primaryH2O2 +! Flux pairs: O(16), OH(3); H(5), OH(3); +O(16)+H(5)+M<=>OH(3)+M 6.750e+18 -1.000 0.000 +H2O(17)/5.00/ H2(6)/2.50/ CO(8)/1.90/ CO2(9)/3.80/ Ar(14)/0.75/ He(15)/0.75/ O2(2)/0.00/ + +! Reaction index: Chemkin #118; RMG #10 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), O2(2); H(5), OH(3); O(16), OH(3); +O(16)+O2(2)+H(5)<=>O2(2)+OH(3) 7.350000e+22 -1.835 0.800 + +! Reaction index: Chemkin #119; RMG #15 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), OH(3); H(5), O(16); +O2(2)+H(5)<=>O(16)+OH(3) 1.040000e+14 0.000 15.286 + +! Reaction index: Chemkin #120; RMG #16 +! Library reaction: primaryH2O2 +! Flux pairs: OH(3), H2O(17); OH(3), O(16); +OH(3)+OH(3)<=>O(16)+H2O(17) 2.668000e+06 1.820 -1.647 + +! Reaction index: Chemkin #121; RMG #18 +! Library reaction: primaryH2O2 +! Flux pairs: O(16), O2(2); O(16), O2(2); +O(16)+O(16)+M<=>O2(2)+M 1.000e+17 -1.000 0.000 +Ar(14)/0.00/ He(15)/0.00/ N2/2.00/ H2O(17)/5.00/ O3(19)/8.00/ O(16)/28.80/ O2(2)/8.00/ + +! Reaction index: Chemkin #122; RMG #21 +! Library reaction: primaryH2O2 +! Flux pairs: H2O(17), HO2(4); O(16), H(5); +O(16)+H2O(17)<=>H(5)+HO2(4) 2.200000e+08 2.000 61.600 + +! Reaction index: Chemkin #123; RMG #26 +! Library reaction: primaryH2O2 +! Flux pairs: H2O2(18), HO2(4); O(16), OH(3); +O(16)+H2O2(18)<=>OH(3)+HO2(4) 9.550000e+06 2.000 3.970 + +! Reaction index: Chemkin #124; RMG #28 +! Library reaction: primaryH2O2 +! Flux pairs: O(16), OH(3); H2(6), H(5); +O(16)+H2(6)<=>H(5)+OH(3) 5.080000e+04 2.670 6.292 + +! Reaction index: Chemkin #125; RMG #30 +! Library reaction: primaryH2O2 +! Flux pairs: HO2(4), O2(2); O(16), OH(3); +O(16)+HO2(4)<=>O2(2)+OH(3) 2.850000e+10 1.000 -0.724 + +! Reaction index: Chemkin #126; RMG #46 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), H2O(17); H2(6), O(16); +O2(2)+H2(6)<=>O(16)+H2O(17) 3.000000e+13 0.000 69.545 + +! Reaction index: Chemkin #127; RMG #48 +! Library reaction: primaryH2O2 +! Flux pairs: O(16), HO2(4); OH(3), HO2(4); +O(16)+OH(3)+M<=>HO2(4)+M 1.000e+15 0.000 0.000 + + +! Reaction index: Chemkin #128; RMG #50 +! Library reaction: primaryH2O2 +! Flux pairs: H2O2(18), O2(2); O(16), H2O(17); +O(16)+H2O2(18)<=>O2(2)+H2O(17) 8.430000e+11 0.000 3.970 + +! Reaction index: Chemkin #129; RMG #51 +! Library reaction: NOx2018 +! Flux pairs: O(16), CO2(9); CO(8), CO2(9); +O(16)+CO(8)(+M)<=>CO2(9)(+M) 1.800e+10 0.000 2.384 +CO(8)/1.90/ H2(6)/2.50/ CO2(9)/3.80/ H2O(17)/12.00/ + LOW/ 1.400e+24 -2.790 4.191 / + TROE/ 1.000e+00 1e-30 1e+30 1e+30 / + +! Reaction index: Chemkin #130; RMG #55 +! Library reaction: NOx2018 +! Flux pairs: CO(8), CO2(9); O2(2), O(16); +O2(2)+CO(8)<=>O(16)+CO2(9) 4.700000e+12 0.000 60.500 + +! Reaction index: Chemkin #131; RMG #60 +! Library reaction: NOx2018 +! Flux pairs: HOCO(10), CO2(9); O(16), OH(3); +O(16)+HOCO(10)<=>OH(3)+CO2(9) 9.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #132; RMG #68 +! Library reaction: NOx2018 +O(16)+CH2O(12)<=>OH(3)+HCO(13) 5.600000e+31 -5.189 19.968 +DUPLICATE +! Reaction index: Chemkin #133; RMG #68 +! Library reaction: NOx2018 +O(16)+CH2O(12)<=>OH(3)+HCO(13) 1.400000e+15 -0.530 4.011 +DUPLICATE + + +! Reaction index: Chemkin #134; RMG #69 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), CO(8); O(16), H(5); O(16), OH(3); +O(16)+CH2O(12)<=>H(5)+OH(3)+CO(8) 2.500000e+21 -1.903 22.674 + +! Reaction index: Chemkin #135; RMG #78 +! Library reaction: NOx2018 +! Flux pairs: HCO(13), CO(8); O(16), OH(3); +O(16)+HCO(13)<=>OH(3)+CO(8) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #136; RMG #79 +! Library reaction: NOx2018 +! Flux pairs: HCO(13), CO2(9); O(16), H(5); +O(16)+HCO(13)<=>H(5)+CO2(9) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #137; RMG #97 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CH2O(12); O(16), H(5); +O(16)+CH3(7)<=>H(5)+CH2O(12) 6.900000e+13 0.000 0.000 + +! Reaction index: Chemkin #138; RMG #98 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CO(8); O(16), H(5); O(16), H2(6); +O(16)+CH3(7)<=>H(5)+H2(6)+CO(8) 1.500000e+13 0.000 0.000 + +! Reaction index: Chemkin #139; RMG #581 +! Library reaction: NOx2018 +! Flux pairs: FA(1), HOCO(10); O(16), OH(3); +O(16)+FA(1)<=>OH(3)+HOCO(10) 5.100000e+01 3.422 4.216 + +! Reaction index: Chemkin #140; RMG #582 +! Library reaction: NOx2018 +! Flux pairs: FA(1), OCHO(11); O(16), OH(3); +O(16)+FA(1)<=>OH(3)+OCHO(11) 1.700000e+05 2.103 9.880 + +! Reaction index: Chemkin #141; RMG #606 +! Library reaction: CurranPentane +! Flux pairs: FA(1), CO(8); O(16), OH(3); O(16), OH(3); +O(16)+FA(1)=>OH(3)+OH(3)+CO(8) 1.770000e+18 -1.900 2.975 + +! Reaction index: Chemkin #142; RMG #4211 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +O(16)+OCHO(11)<=>OH(3)+CO2(9) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #143; RMG #4742 +! PDep reaction: PDepNetwork #104 +! Flux pairs: O(16), OCHO(11); HCO(13), OCHO(11); +O(16)+HCO(13)(+M)<=>OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.837e+00 1.504e+00 -1.045e-02 -4.859e-03 / + CHEB/ 3.528e-01 4.284e-03 2.587e-03 1.179e-03 / + CHEB/ 3.959e-02 2.830e-03 1.713e-03 7.837e-04 / + CHEB/ 2.000e-03 8.055e-04 4.919e-04 2.293e-04 / + CHEB/ -8.587e-04 7.924e-05 5.123e-05 2.651e-05 / + CHEB/ -6.429e-04 -3.917e-06 -1.367e-06 3.191e-07 / + +! Reaction index: Chemkin #144; RMG #4743 +! PDep reaction: PDepNetwork #104 +! Flux pairs: O(16), HOCO(10); HCO(13), HOCO(10); +O(16)+HCO(13)(+M)<=>HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.245e+00 1.501e+00 -1.195e-02 -5.569e-03 / + CHEB/ 1.050e-01 6.460e-03 3.928e-03 1.814e-03 / + CHEB/ -4.558e-02 2.791e-03 1.689e-03 7.737e-04 / + CHEB/ -3.090e-03 7.323e-04 4.467e-04 2.078e-04 / + CHEB/ 2.343e-02 -4.850e-06 -6.255e-07 1.866e-06 / + CHEB/ 1.722e-02 -1.028e-05 -5.355e-06 -1.636e-06 / + +! Reaction index: Chemkin #145; RMG #4650 +! PDep reaction: PDepNetwork #94 +! Flux pairs: CHO3(986), HOCO(10); O(16), O2(2); +O(16)+CHO3(986)(+M)<=>O2(2)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.304e+01 -8.903e-02 -4.862e-02 -1.797e-02 / + CHEB/ 4.567e-01 1.114e-01 5.920e-02 2.045e-02 / + CHEB/ 6.496e-02 -2.027e-02 -8.713e-03 -1.225e-03 / + CHEB/ 1.451e-02 -5.810e-03 -3.997e-03 -2.110e-03 / + CHEB/ 2.611e-03 1.033e-04 -1.102e-04 -2.217e-04 / + CHEB/ -6.808e-04 5.091e-04 3.259e-04 1.572e-04 / + +! Reaction index: Chemkin #146; RMG #4649 +! PDep reaction: PDepNetwork #94 +! Flux pairs: CHO3(986), CO2(9); O(16), HO2(4); +O(16)+CHO3(986)(+M)<=>HO2(4)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.156e+01 -8.928e-02 -4.873e-02 -1.799e-02 / + CHEB/ 3.408e-01 1.117e-01 5.932e-02 2.047e-02 / + CHEB/ 9.548e-02 -2.043e-02 -8.790e-03 -1.249e-03 / + CHEB/ 3.439e-02 -5.938e-03 -4.073e-03 -2.144e-03 / + CHEB/ 1.472e-02 1.068e-04 -1.120e-04 -2.258e-04 / + CHEB/ 7.236e-03 5.428e-04 3.458e-04 1.656e-04 / + +! Reaction index: Chemkin #147; RMG #4648 +! PDep reaction: PDepNetwork #94 +! Flux pairs: O(16), CHO4(985); CHO3(986), CHO4(985); +O(16)+CHO3(986)(+M)<=>CHO4(985)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.100e+01 1.426e+00 -5.172e-02 -1.895e-02 / + CHEB/ -6.263e-01 1.158e-01 6.113e-02 2.077e-02 / + CHEB/ -1.430e-01 -1.825e-02 -7.382e-03 -5.620e-04 / + CHEB/ 2.436e-02 -6.322e-03 -4.213e-03 -2.123e-03 / + CHEB/ 5.230e-02 -4.272e-04 -4.399e-04 -3.757e-04 / + CHEB/ 3.650e-02 4.149e-04 2.529e-04 1.089e-04 / + +! Reaction index: Chemkin #148; RMG #4645 +! PDep reaction: PDepNetwork #92 +! Flux pairs: O(16), CHO3(986); HOCO(10), CHO3(986); +O(16)+HOCO(10)(+M)<=>CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.687e+00 1.520e+00 -6.774e-04 -3.225e-04 / + CHEB/ 3.324e-01 2.900e-04 1.789e-04 8.509e-05 / + CHEB/ 2.053e-03 2.354e-04 1.452e-04 6.906e-05 / + CHEB/ -3.102e-02 1.373e-04 8.466e-05 4.026e-05 / + CHEB/ 1.737e-02 -4.382e-05 -2.700e-05 -1.281e-05 / + CHEB/ 2.387e-02 -6.525e-05 -4.023e-05 -1.911e-05 / + +! Reaction index: Chemkin #149; RMG #4640 +! PDep reaction: PDepNetwork #90 +! Flux pairs: HOCO(10), CHO3(986); HO2(4), OH(3); +HO2(4)+HOCO(10)(+M)<=>OH(3)+CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.260e+01 -1.140e-01 -6.051e-02 -2.099e-02 / + CHEB/ 8.998e-02 1.438e-01 7.370e-02 2.327e-02 / + CHEB/ -1.849e-02 -2.646e-02 -9.942e-03 -2.935e-05 / + CHEB/ -3.209e-03 -5.399e-03 -4.378e-03 -2.629e-03 / + CHEB/ -4.456e-04 -2.893e-04 -3.181e-04 -3.457e-04 / + CHEB/ -1.311e-04 1.404e-04 1.208e-04 8.115e-05 / + +! Reaction index: Chemkin #150; RMG #5573 +! PDep reaction: PDepNetwork #169 +! Flux pairs: CHO4(985), CHO3(986); H(5), OH(3); +H(5)+CHO4(985)(+M)<=>OH(3)+CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.326e+01 -7.524e-02 -4.185e-02 -1.608e-02 / + CHEB/ 5.958e-01 1.009e-01 5.491e-02 2.002e-02 / + CHEB/ 1.108e-01 -2.649e-02 -1.266e-02 -3.063e-03 / + CHEB/ 4.026e-02 -9.544e-04 -1.590e-03 -1.479e-03 / + CHEB/ 1.466e-02 7.450e-04 5.138e-04 2.371e-04 / + CHEB/ 5.231e-03 -5.266e-05 4.706e-06 4.304e-05 / + +! Reaction index: Chemkin #151; RMG #4619 +! PDep reaction: PDepNetwork #87 +! Flux pairs: OCHO(11), HCO(13); H(5), OH(3); +H(5)+OCHO(11)(+M)<=>OH(3)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.148e+01 -2.676e-02 -1.602e-02 -7.174e-03 / + CHEB/ 1.165e+00 3.038e-02 1.804e-02 7.938e-03 / + CHEB/ 2.400e-01 -2.925e-03 -1.566e-03 -5.323e-04 / + CHEB/ 4.081e-02 -1.099e-03 -6.898e-04 -3.368e-04 / + CHEB/ 1.744e-03 -7.987e-05 -5.960e-05 -3.799e-05 / + CHEB/ -3.728e-03 -5.250e-05 -3.179e-05 -1.468e-05 / + +! Reaction index: Chemkin #152; RMG #4451 +! PDep reaction: PDepNetwork #61 +! Flux pairs: HCO(13), HOCO(10); OH(3), H(5); +OH(3)+HCO(13)(+M)<=>H(5)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.039e+01 -3.856e-02 -2.280e-02 -9.960e-03 / + CHEB/ -8.661e-01 4.202e-02 2.455e-02 1.045e-02 / + CHEB/ -9.935e-02 -2.441e-03 -1.100e-03 -1.688e-04 / + CHEB/ -3.016e-02 -1.480e-03 -9.128e-04 -4.286e-04 / + CHEB/ -1.944e-02 -3.074e-04 -2.051e-04 -1.116e-04 / + CHEB/ -1.229e-02 -1.455e-04 -8.979e-05 -4.297e-05 / + +! Reaction index: Chemkin #153; RMG #4620 +! PDep reaction: PDepNetwork #87 +! Flux pairs: OCHO(11), HOCO(10); H(5), H(5); +H(5)+OCHO(11)(+M)<=>H(5)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.063e+01 -2.704e-02 -1.618e-02 -7.239e-03 / + CHEB/ -7.498e-01 3.095e-02 1.837e-02 8.077e-03 / + CHEB/ -1.084e-01 -2.972e-03 -1.589e-03 -5.373e-04 / + CHEB/ -4.944e-02 -1.218e-03 -7.621e-04 -3.700e-04 / + CHEB/ -2.886e-02 -1.201e-04 -8.502e-05 -5.064e-05 / + CHEB/ -1.532e-02 -5.195e-05 -3.172e-05 -1.491e-05 / + +! Reaction index: Chemkin #154; RMG #4208 +! Template reaction: R_Recombination +! Flux pairs: OH(3), OH(3); O2(2), OH(3); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_2OS->O +! Multiplied by reaction path degeneracy 2.0 +! Ea raised from 94.3 to 94.3 kJ/mol to match endothermicity of reaction. +O2(2)+OH(3)<=>O2(983)+OH(3) 4.000000e+13 0.000 22.541 + +! Reaction index: Chemkin #155; RMG #4465 +! PDep reaction: PDepNetwork #68 +! Flux pairs: O2(983), O2(2); +O2(983)(+M)<=>O2(2)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.692e+00 9.866e-01 -2.096e-01 -2.866e-02 / + CHEB/ -1.345e-03 1.039e-01 2.050e-02 -1.009e-02 / + CHEB/ -7.471e-02 5.935e-02 1.218e-02 -5.499e-03 / + CHEB/ 2.769e-02 -2.950e-02 -1.738e-03 4.693e-03 / + CHEB/ -2.496e-02 2.158e-02 3.056e-03 -2.437e-03 / + CHEB/ -9.055e-03 6.408e-03 1.787e-03 -4.080e-04 / + +! Reaction index: Chemkin #156; RMG #574 +! Library reaction: NOx2018 +! Flux pairs: OCHCO(63), CO(8); OCHCO(63), HCO(13); +! Reaction library: 'NOx2018' +OCHCO(63)<=>CO(8)+HCO(13) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 3.800e+12 0.000 8.610 / + PLOG/ 0.010000 -8.000e+21 -2.359 27.420 / + PLOG/ 0.100000 3.800e+13 0.000 8.665 / + PLOG/ 1.000000 4.100e+14 0.000 8.765 / + PLOG/ 100.000000 1.100e+14 0.133 10.140 / + +! Reaction index: Chemkin #157; RMG #575 +! Library reaction: NOx2018 +! Flux pairs: OCHCO(63), H(5); OCHCO(63), CO(8); OCHCO(63), CO(8); +OCHCO(63)<=>H(5)+CO(8)+CO(8) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 8.000e+21 -2.359 27.420 / + PLOG/ 0.100000 2.300e+23 -2.473 28.592 / + PLOG/ 1.000000 2.500e+24 -2.473 28.692 / + PLOG/ 100.000000 1.400e+24 -2.419 30.991 / + +! Reaction index: Chemkin #158; RMG #576 +! Library reaction: NOx2018 +! Flux pairs: OCHCO(63), CO2(9); O2(2), OH(3); O2(2), CO(8); +O2(2)+OCHCO(63)<=>OH(3)+CO(8)+CO2(9) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.600e+14 0.000 1.540 / + PLOG/ 0.100000 1.100e+14 0.000 1.300 / + PLOG/ 1.000000 3.300e+14 0.000 2.075 / + +! Reaction index: Chemkin #159; RMG #4522 +! PDep reaction: PDepNetwork #72 +! Flux pairs: C2HO3(991), CO(8); C2HO3(991), HOCO(10); +C2HO3(991)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.007e+00 1.113e+00 -1.072e-01 -1.659e-02 / + CHEB/ 1.343e+00 4.069e-01 6.997e-02 -4.436e-03 / + CHEB/ -2.240e-01 -3.195e-02 1.322e-02 8.312e-03 / + CHEB/ -1.016e-01 -4.007e-03 7.534e-04 1.421e-03 / + CHEB/ -5.417e-02 -9.223e-05 1.747e-03 1.220e-03 / + CHEB/ -2.498e-02 2.472e-03 6.059e-04 2.094e-04 / + +! Reaction index: Chemkin #160; RMG #4297 +! PDep reaction: PDepNetwork #13 +! Flux pairs: FA(1), CH2O3(1000); HO2(4), OH(3); +HO2(4)+FA(1)(+M)<=>OH(3)+CH2O3(1000)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.875e+00 -8.717e-01 -8.373e-02 7.440e-03 / + CHEB/ 1.384e+01 7.654e-01 -3.085e-03 -1.998e-02 / + CHEB/ 4.868e-02 1.911e-01 6.332e-02 -6.381e-03 / + CHEB/ -8.611e-02 -4.456e-02 2.790e-02 9.095e-03 / + CHEB/ -2.405e-02 -5.873e-02 -6.719e-03 6.364e-03 / + CHEB/ 8.571e-03 -2.030e-02 -1.167e-02 -3.429e-04 / + +! Reaction index: Chemkin #161; RMG #4434 +! Template reaction: H_Abstraction +! Flux pairs: CH2O3(1000), CHO3(986); O(16), OH(3); +! From training reaction 691 used for O/H/OneDeC;O_atom_triplet +! Exact match found for rate rule [O/H/OneDeC;O_atom_triplet] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +O(16)+CH2O3(1000)<=>OH(3)+CHO3(986) 3.400000e+08 1.500 7.351 + +! Reaction index: Chemkin #162; RMG #4435 +! Template reaction: H_Abstraction +! Flux pairs: CH2O3(1000), CHO3(986); OH(3), H2O(17); +! From training reaction 692 used for O/H/OneDeC;O_pri_rad +! Exact match found for rate rule [O/H/OneDeC;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+CH2O3(1000)<=>H2O(17)+CHO3(986) 2.400000e+06 2.000 -0.250 + +! Reaction index: Chemkin #163; RMG #4441 +! Template reaction: H_Abstraction +! Flux pairs: CH2O3(1000), CHO3(986); H(5), H2(6); +! From training reaction 690 used for O/H/OneDeC;H_rad +! Exact match found for rate rule [O/H/OneDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(5)+CH2O3(1000)<=>H2(6)+CHO3(986) 4.800000e+08 1.500 6.620 + +! Reaction index: Chemkin #164; RMG #4486 +! PDep reaction: PDepNetwork #58 +! Flux pairs: OH(3), CH2O3(1000); HOCO(10), CH2O3(1000); +OH(3)+HOCO(10)(+M)<=>CH2O3(1000)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.359e+01 2.613e-01 -4.000e-02 1.996e-03 / + CHEB/ -5.240e-01 4.299e-01 -5.207e-02 -1.240e-03 / + CHEB/ -3.574e-01 2.469e-01 -7.602e-03 -5.854e-03 / + CHEB/ -2.020e-01 9.984e-02 1.332e-02 -3.664e-03 / + CHEB/ -1.007e-01 2.652e-02 1.177e-02 2.034e-04 / + CHEB/ -4.677e-02 2.612e-03 4.567e-03 1.505e-03 / + +! Reaction index: Chemkin #165; RMG #4644 +! PDep reaction: PDepNetwork #91 +! Flux pairs: CHO3(986), HOCO(10); H(5), OH(3); +H(5)+CHO3(986)(+M)<=>OH(3)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.200e+01 -9.531e-01 -6.251e-02 2.454e-03 / + CHEB/ 1.932e+00 7.754e-01 -3.002e-02 -1.033e-02 / + CHEB/ -1.621e-02 2.395e-01 5.330e-02 -7.862e-03 / + CHEB/ -9.288e-02 -1.523e-02 3.812e-02 5.475e-03 / + CHEB/ -2.450e-02 -4.532e-02 3.186e-03 6.634e-03 / + CHEB/ -3.044e-03 -1.945e-02 -7.338e-03 1.380e-03 / + +! Reaction index: Chemkin #166; RMG #4494 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); CHO3(986), CH2O3(1000); +! Estimated using average of templates [X_H;O_rad/OneDeC] + [Orad_O_H;O_sec_rad] for rate rule [Orad_O_H;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HO2(4)+CHO3(986)<=>O2(2)+CH2O3(1000) 6.319327e+03 2.302 8.568 + +! Reaction index: Chemkin #167; RMG #4497 +! Template reaction: H_Abstraction +! Flux pairs: H2O2(18), HO2(4); CHO3(986), CH2O3(1000); +! Estimated using an average for rate rule [H2O2;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +H2O2(18)+CHO3(986)<=>HO2(4)+CH2O3(1000) 1.398000e-01 3.750 19.545 + +! Reaction index: Chemkin #168; RMG #4502 +! Template reaction: CO_Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+CHO3(986)<=>CO(8)+CH2O3(1000) 1.806000e+14 0.000 0.000 + +! Reaction index: Chemkin #169; RMG #4503 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+CHO3(986)<=>CO2(9)+CH2O3(1000) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #170; RMG #4504 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+CHO3(986)<=>CO2(9)+CH2O3(1000) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #171; RMG #4509 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); CHO3(986), CH2O3(1000); +! Estimated using template [CO_pri;O_rad/OneDe] for rate rule [CO_pri;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO3(986)+CH2O(12)<=>HCO(13)+CH2O3(1000) 1.420000e-07 5.640 9.221 + +! Reaction index: Chemkin #172; RMG #4643 +! PDep reaction: PDepNetwork #91 +! Flux pairs: H(5), CH2O3(1000); CHO3(986), CH2O3(1000); +H(5)+CHO3(986)(+M)<=>CH2O3(1000)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.318e+01 3.589e-01 -4.497e-02 1.159e-03 / + CHEB/ -6.519e-01 5.763e-01 -5.200e-02 -3.671e-03 / + CHEB/ -4.833e-01 3.024e-01 4.732e-03 -7.423e-03 / + CHEB/ -2.626e-01 9.716e-02 2.439e-02 -2.701e-03 / + CHEB/ -1.205e-01 9.960e-03 1.500e-02 2.020e-03 / + CHEB/ -5.013e-02 -8.503e-03 3.333e-03 2.254e-03 / + +! Reaction index: Chemkin #173; RMG #84 +! Library reaction: NOx2018 +! Flux pairs: H(5), CH4(20); CH3(7), CH4(20); +! Reaction library: 'NOx2018' +H(5)+CH3(7)(+M)<=>CH4(20)(+M) 2.300e+14 0.032 0.144 +CH4(20)/3.85/ CO2(9)/4.00/ H2O(17)/10.00/ H2(6)/4.00/ He(15)/2.00/ N2/1.40/ CO(8)/1.40/ Ar(14)/0.61/ + LOW/ 2.700e+35 -5.345 3.380 / + TROE/ 3.950e-01 164 4.25e+03 1.25e+06 / + +! Reaction index: Chemkin #174; RMG #85 +! Library reaction: NOx2018 +! Flux pairs: CH4(20), CH3(7); H(5), H2(6); +H(5)+CH4(20)<=>H2(6)+CH3(7) 4.100000e+03 3.156 8.755 + +! Reaction index: Chemkin #175; RMG #86 +! Library reaction: NOx2018 +! Flux pairs: CH4(20), CH3(7); O(16), OH(3); +O(16)+CH4(20)<=>OH(3)+CH3(7) 4.400000e+05 2.500 6.577 + +! Reaction index: Chemkin #176; RMG #87 +! Library reaction: NOx2018 +! Flux pairs: CH4(20), CH3(7); OH(3), H2O(17); +OH(3)+CH4(20)<=>H2O(17)+CH3(7) 1.000000e+06 2.182 2.506 + +! Reaction index: Chemkin #177; RMG #88 +! Library reaction: NOx2018 +! Flux pairs: CH4(20), CH3(7); HO2(4), H2O2(18); +HO2(4)+CH4(20)<=>H2O2(18)+CH3(7) 4.700000e+04 2.500 21.000 + +! Reaction index: Chemkin #178; RMG #89 +! Library reaction: NOx2018 +! Flux pairs: CH4(20), CH3(7); O2(2), HO2(4); +O2(2)+CH4(20)<=>HO2(4)+CH3(7) 2.000000e+05 2.745 51.714 + +! Reaction index: Chemkin #179; RMG #110 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), HCO(13); CH3(7), CH4(20); +CH2O(12)+CH3(7)<=>HCO(13)+CH4(20) 3.500000e+05 2.157 6.234 + +! Reaction index: Chemkin #180; RMG #111 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), CO(8); CH3(7), H(5); CH3(7), CH4(20); +CH2O(12)+CH3(7)<=>H(5)+CO(8)+CH4(20) 1.900000e+11 0.887 24.224 + +! Reaction index: Chemkin #181; RMG #112 +! Library reaction: NOx2018 +! Flux pairs: HCO(13), CO(8); CH3(7), CH4(20); +HCO(13)+CH3(7)<=>CO(8)+CH4(20) 1.000e+00 0.000 0.000 + PLOG/ 0.050000 2.900e+18 -1.840 2.134 / + PLOG/ 0.100000 8.700e+18 -1.970 2.684 / + PLOG/ 1.000000 1.800e+20 -2.300 4.781 / + PLOG/ 10.000000 1.100e+21 -2.450 7.417 / + +! Reaction index: Chemkin #182; RMG #604 +! Library reaction: CurranPentane +! Flux pairs: FA(1), CO(8); CH3(7), OH(3); CH3(7), CH4(20); +FA(1)+CH3(7)=>OH(3)+CO(8)+CH4(20) 3.900000e-07 5.800 2.200 + +! Reaction index: Chemkin #183; RMG #4560 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +HOCO(10)+CH3(7)<=>CO2(9)+CH4(20) 8.490000e+13 0.000 0.000 + +! Reaction index: Chemkin #184; RMG #4561 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+CH3(7)<=>CO2(9)+CH4(20) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #185; RMG #5560 +! PDep reaction: PDepNetwork #122 +! Flux pairs: OCHO(11), FA(1); HO2(4), O2(983); +HO2(4)+OCHO(11)(+M)<=>O2(983)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.258e+00 -9.506e-01 -5.732e-02 9.528e-04 / + CHEB/ 1.246e+00 7.943e-01 -3.064e-02 -1.010e-02 / + CHEB/ 1.076e-01 2.426e-01 5.068e-02 -7.419e-03 / + CHEB/ -3.103e-02 -3.622e-02 3.733e-02 5.595e-03 / + CHEB/ 1.003e-02 -6.318e-02 -4.445e-04 6.660e-03 / + CHEB/ 2.621e-02 -2.307e-02 -1.184e-02 6.573e-04 / + +! Reaction index: Chemkin #186; RMG #35 +! Library reaction: primaryH2O2 +! Flux pairs: HO2(4), O3(19); HO2(4), H2O(17); +HO2(4)+HO2(4)<=>O3(19)+H2O(17) 1.000000e+02 0.000 0.000 + +! Reaction index: Chemkin #187; RMG #36 +! Library reaction: primaryH2O2 +! Flux pairs: O(16), O3(19); O2(2), O3(19); +O(16)+O2(2)+M<=>O3(19)+M 6.530e+17 -1.500 0.000 +Ar(14)/0.00/ He(15)/0.00/ O3(19)/2.50/ O(16)/4.00/ O2(2)/0.95/ + +! Reaction index: Chemkin #188; RMG #39 +! Library reaction: primaryH2O2 +! Flux pairs: O3(19), O2(2); O(16), O2(2); +O(16)+O3(19)<=>O2(2)+O2(2) 4.820000e+12 0.000 4.094 + +! Reaction index: Chemkin #189; RMG #40 +! Library reaction: primaryH2O2 +! Flux pairs: O3(19), O2(2); H(5), OH(3); +O3(19)+H(5)<=>O2(2)+OH(3) 8.430000e+13 0.000 0.934 + +! Reaction index: Chemkin #190; RMG #41 +! Library reaction: primaryH2O2 +! Flux pairs: O3(19), HO2(4); H(5), O(16); +O3(19)+H(5)<=>O(16)+HO2(4) 1.000000e+02 0.000 0.000 + +! Reaction index: Chemkin #191; RMG #42 +! Library reaction: primaryH2O2 +! Flux pairs: O3(19), HO2(4); OH(3), O2(2); +O3(19)+OH(3)<=>O2(2)+HO2(4) 1.000000e+12 0.000 1.870 + +! Reaction index: Chemkin #192; RMG #43 +! Library reaction: primaryH2O2 +! Flux pairs: O3(19), O2(2); HO2(4), OH(3); HO2(4), O2(2); +O3(19)+HO2(4)<=>O2(2)+O2(2)+OH(3) 5.850000e-04 4.570 -1.377 + +! Reaction index: Chemkin #193; RMG #44 +! Library reaction: primaryH2O2 +! Flux pairs: O3(19), HO2(4); H2(6), OH(3); +O3(19)+H2(6)<=>OH(3)+HO2(4) 6.000000e+10 0.000 20.000 + +! Reaction index: Chemkin #194; RMG #4603 +! PDep reaction: PDepNetwork #39 +! Flux pairs: HOCO(10), CO2(9); CO(8), HCO(13); +CO(8)+HOCO(10)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.692e+00 -2.978e-01 -1.624e-01 -5.980e-02 / + CHEB/ 1.647e+01 1.153e-01 5.722e-02 1.623e-02 / + CHEB/ 2.497e-01 -2.150e-02 -8.687e-03 -6.813e-04 / + CHEB/ 8.443e-02 2.424e-02 1.188e-02 3.332e-03 / + CHEB/ 1.154e-02 7.399e-03 4.330e-03 1.819e-03 / + CHEB/ -2.020e-03 1.154e-02 5.651e-03 1.546e-03 / + +! Reaction index: Chemkin #195; RMG #4608 +! PDep reaction: PDepNetwork #67 +! Flux pairs: OCHO(11), CO2(9); CO(8), HCO(13); +CO(8)+OCHO(11)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.507e+00 -1.666e-01 -9.016e-02 -3.254e-02 / + CHEB/ 1.007e+00 6.948e-02 3.416e-02 9.375e-03 / + CHEB/ 1.136e-02 1.653e-02 9.144e-03 3.381e-03 / + CHEB/ 6.345e-03 8.200e-03 4.109e-03 1.224e-03 / + CHEB/ -5.260e-03 -9.722e-03 -4.464e-03 -9.461e-04 / + CHEB/ -2.438e-03 -5.291e-03 -2.640e-03 -7.491e-04 / + +! Reaction index: Chemkin #196; RMG #4587 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); CHO3(986), CH2O3(1000); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+FA(1)<=>HOCO(10)+CH2O3(1000) 1.968453e+09 1.062 12.422 + +! Reaction index: Chemkin #197; RMG #4163 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), FA(1); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+O[CH]O(970)<=>FA(1)+FA(1) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #198; RMG #4165 +! Template reaction: Disproportionation +! Flux pairs: O[CH]O(970), FA(1); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+O[CH]O(970)<=>FA(1)+FA(1) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #199; RMG #4175 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +O(16)+O[CH]O(970)<=>OH(3)+FA(1) 1.808000e+14 0.000 0.000 + +! Reaction index: Chemkin #200; RMG #4178 +! Template reaction: Disproportionation +! Flux pairs: O2(2), HO2(4); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 +! Multiplied by reaction path degeneracy 4.0 +O2(2)+O[CH]O(970)<=>HO2(4)+FA(1) 2.288360e+13 0.000 0.000 + +! Reaction index: Chemkin #201; RMG #4184 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); O[CH]O(970), FA(1); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +H(5)+O[CH]O(970)<=>H2(6)+FA(1) 4.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #202; RMG #4202 +! Template reaction: Disproportionation +! Flux pairs: O[CH]O(970), FA(1); HCO(13), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+O[CH]O(970)<=>CH2O(12)+FA(1) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #203; RMG #4206 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +OH(3)+O[CH]O(970)<=>H2O(17)+FA(1) 4.820000e+13 0.000 0.000 + +! Reaction index: Chemkin #204; RMG #4289 +! PDep reaction: PDepNetwork #17 +! Flux pairs: H(5), O[CH]O(970); FA(1), O[CH]O(970); +H(5)+FA(1)(+M)<=>O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.600e-01 -1.049e-02 -6.406e-03 -2.987e-03 / + CHEB/ 9.844e+00 1.038e-02 6.316e-03 2.920e-03 / + CHEB/ 2.144e-01 -1.002e-03 -5.927e-04 -2.586e-04 / + CHEB/ 7.174e-02 -1.067e-03 -6.538e-04 -3.066e-04 / + CHEB/ 2.712e-02 -9.134e-05 -5.945e-05 -3.115e-05 / + CHEB/ 1.204e-02 9.901e-05 6.039e-05 2.807e-05 / +DUPLICATE + +! Reaction index: Chemkin #205; RMG #6249 +! PDep reaction: PDepNetwork #174 +! Flux pairs: O[CH]O(970), FA(1); O2(2), HO2(4); +O2(2)+O[CH]O(970)(+M)<=>HO2(4)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.162e+01 -9.083e-01 -8.667e-02 7.678e-03 / + CHEB/ 6.138e-01 7.345e-01 -1.441e-02 -1.996e-02 / + CHEB/ -1.120e-01 2.053e-01 5.715e-02 -9.175e-03 / + CHEB/ -1.231e-01 -2.135e-02 3.011e-02 6.762e-03 / + CHEB/ -4.766e-02 -4.811e-02 -1.596e-03 6.243e-03 / + CHEB/ -3.312e-03 -2.017e-02 -8.887e-03 6.931e-04 / + +! Reaction index: Chemkin #206; RMG #4339 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +HO2(4)+O[CH]O(970)<=>H2O2(18)+FA(1) 2.420000e+13 0.000 0.000 + +! Reaction index: Chemkin #207; RMG #4364 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(985)+O[CH]O(970)<=>FA(1)+CH2O4(1005) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #208; RMG #4406 +! PDep reaction: PDepNetwork #16 +! Flux pairs: H(5), O[CH]O(970); FA(1), O[CH]O(970); +H(5)+FA(1)(+M)<=>O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.050e+00 7.376e-01 -8.774e-02 -2.131e-05 / + CHEB/ 2.241e+00 5.718e-01 2.344e-02 -1.026e-02 / + CHEB/ -2.722e-01 1.121e-01 2.706e-02 1.522e-03 / + CHEB/ -6.551e-02 2.933e-03 4.951e-03 1.616e-03 / + CHEB/ 9.242e-04 -6.966e-03 -5.535e-04 1.513e-04 / + CHEB/ 5.796e-03 -1.326e-03 -2.376e-04 -9.132e-05 / +DUPLICATE + +! Reaction index: Chemkin #209; RMG #4492 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+O[CH]O(970)<=>FA(1)+CH2O3(1000) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #210; RMG #4613 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), CO2(9); C2HO3(990), HCO(13); +C2HO3(990)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.916e+00 1.317e+00 -9.838e-02 -2.946e-02 / + CHEB/ 2.493e-01 1.397e-01 5.377e-02 7.337e-03 / + CHEB/ -2.101e-01 -8.064e-03 3.062e-03 4.471e-03 / + CHEB/ -6.541e-02 2.283e-03 2.144e-04 -1.450e-05 / + CHEB/ 1.473e-02 -1.041e-02 -4.573e-03 -1.111e-03 / + CHEB/ 1.373e-02 -3.180e-03 -2.342e-03 -9.705e-04 / + +! Reaction index: Chemkin #211; RMG #4611 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), CO(8); C2HO3(990), HOCO(10); +C2HO3(990)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.446e+01 9.675e-01 -2.622e-01 -6.838e-02 / + CHEB/ 2.032e+01 3.941e-01 1.846e-01 4.664e-02 / + CHEB/ 9.908e-01 -2.420e-02 -2.393e-02 -1.607e-02 / + CHEB/ -3.101e-01 5.742e-03 -1.202e-03 -3.080e-03 / + CHEB/ -5.998e-02 2.320e-02 1.958e-02 1.127e-02 / + CHEB/ 8.244e-02 1.257e-03 7.169e-04 -3.496e-04 / + +! Reaction index: Chemkin #212; RMG #4607 +! PDep reaction: PDepNetwork #67 +! Flux pairs: OCHO(11), HOCO(10); CO(8), CO(8); +CO(8)+OCHO(11)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.544e+01 -5.613e-01 -2.670e-01 -7.050e-02 / + CHEB/ 1.887e+01 3.813e-01 1.770e-01 4.327e-02 / + CHEB/ 1.586e+00 -3.158e-02 -2.855e-02 -1.832e-02 / + CHEB/ 2.154e-02 2.332e-03 -3.724e-03 -4.570e-03 / + CHEB/ 6.019e-02 2.505e-02 2.021e-02 1.121e-02 / + CHEB/ 1.288e-01 6.933e-03 3.651e-03 5.976e-04 / + +! Reaction index: Chemkin #213; RMG #4612 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), CO(8); C2HO3(990), OCHO(11); +C2HO3(990)(+M)<=>CO(8)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.662e+00 1.351e+00 -9.168e-02 -3.301e-02 / + CHEB/ 3.054e+00 6.524e-02 3.192e-02 8.630e-03 / + CHEB/ -1.868e-01 1.434e-02 7.937e-03 2.935e-03 / + CHEB/ -7.131e-02 7.230e-03 3.559e-03 1.006e-03 / + CHEB/ 1.282e-02 -1.022e-02 -4.723e-03 -1.035e-03 / + CHEB/ 1.464e-02 -5.602e-03 -2.790e-03 -7.889e-04 / + +! Reaction index: Chemkin #214; RMG #4488 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CH2O3(1000); O[C](O)O(1021), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 6.0 +OCHO(11)+O[C](O)O(1021)<=>FA(1)+CH2O3(1000) 1.086000e+14 0.000 0.000 + +! Reaction index: Chemkin #215; RMG #4490 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), CH2O3(1000); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +HOCO(10)+O[C](O)O(1021)<=>FA(1)+CH2O3(1000) 5.430000e+14 0.000 0.000 + +! Reaction index: Chemkin #216; RMG #4495 +! Template reaction: Disproportionation +! Flux pairs: O2(2), HO2(4); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 +! Multiplied by reaction path degeneracy 6.0 +O2(2)+O[C](O)O(1021)<=>HO2(4)+CH2O3(1000) 3.432540e+13 0.000 0.000 + +! Reaction index: Chemkin #217; RMG #4500 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +H(5)+O[C](O)O(1021)<=>H2(6)+CH2O3(1000) 6.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #218; RMG #4505 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), CH2O3(1000); O[C](O)O(1021), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +HCO(13)+O[C](O)O(1021)<=>CH2O(12)+CH2O3(1000) 5.430000e+14 0.000 0.000 + +! Reaction index: Chemkin #219; RMG #4510 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +! Multiplied by reaction path degeneracy 3.0 +OH(3)+O[C](O)O(1021)<=>H2O(17)+CH2O3(1000) 7.230000e+13 0.000 0.000 + +! Reaction index: Chemkin #220; RMG #4512 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +HO2(4)+O[C](O)O(1021)<=>H2O2(18)+CH2O3(1000) 3.630000e+13 0.000 0.000 + +! Reaction index: Chemkin #221; RMG #4516 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +CHO4(985)+O[C](O)O(1021)<=>CH2O3(1000)+CH2O4(1005) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #222; RMG #4520 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 6.0 +CHO3(986)+O[C](O)O(1021)<=>CH2O3(1000)+CH2O3(1000) 1.086000e+14 0.000 0.000 + +! Reaction index: Chemkin #223; RMG #4547 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +O(16)+O[C](O)O(1021)<=>OH(3)+CH2O3(1000) 2.712000e+14 0.000 0.000 + +! Reaction index: Chemkin #224; RMG #4627 +! PDep reaction: PDepNetwork #88 +! Flux pairs: O[C](O)O(1021), H(5); O[C](O)O(1021), CH2O3(1000); +O[C](O)O(1021)(+M)<=>H(5)+CH2O3(1000)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.841e+00 7.829e-01 -9.190e-02 3.192e-05 / + CHEB/ 1.558e+00 6.317e-01 3.339e-02 -1.110e-02 / + CHEB/ -1.520e-01 1.410e-01 4.477e-02 3.157e-03 / + CHEB/ -1.342e-01 8.291e-03 1.513e-02 4.046e-03 / + CHEB/ -5.359e-02 -2.656e-02 7.635e-04 2.011e-03 / + CHEB/ -3.619e-04 -2.448e-02 -3.874e-03 5.729e-04 / + +! Reaction index: Chemkin #225; RMG #5574 +! PDep reaction: PDepNetwork #169 +! Flux pairs: CHO4(985), HOCO(10); H(5), HO2(4); +H(5)+CHO4(985)(+M)<=>HO2(4)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.027e+01 -7.163e-02 -3.997e-02 -1.547e-02 / + CHEB/ 1.506e+00 9.732e-02 5.321e-02 1.962e-02 / + CHEB/ 4.270e-01 -2.700e-02 -1.314e-02 -3.410e-03 / + CHEB/ 1.181e-01 -4.646e-04 -1.296e-03 -1.359e-03 / + CHEB/ 3.286e-02 8.989e-04 6.273e-04 3.088e-04 / + CHEB/ 1.060e-02 -5.886e-05 8.966e-07 4.224e-05 / + +! Reaction index: Chemkin #226; RMG #7468 +! PDep reaction: PDepNetwork #292 +! Flux pairs: O[CH]O(970), CH2O3(1000); O(16), H(5); +O(16)+O[CH]O(970)(+M)<=>H(5)+CH2O3(1000)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.232e+01 -1.201e-01 -6.691e-02 -2.576e-02 / + CHEB/ 4.945e-01 4.317e-02 2.366e-02 8.725e-03 / + CHEB/ 1.507e-01 6.363e-02 3.306e-02 1.068e-02 / + CHEB/ 3.703e-02 4.525e-03 3.237e-03 1.847e-03 / + CHEB/ 3.377e-03 -1.293e-02 -5.685e-03 -9.236e-04 / + CHEB/ 4.504e-03 4.259e-04 1.206e-04 -2.483e-05 / + +! Reaction index: Chemkin #227; RMG #4730 +! PDep reaction: PDepNetwork #12 +! Flux pairs: FA(1), CH2O3(1000); OH(3), H(5); +OH(3)+FA(1)(+M)<=>H(5)+CH2O3(1000)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.175e+00 -5.604e-01 -1.913e-01 -1.411e-02 / + CHEB/ 8.928e+00 2.696e-01 6.917e-02 -1.233e-02 / + CHEB/ 5.123e-01 2.030e-01 4.765e-02 -9.361e-03 / + CHEB/ 1.274e-01 2.977e-02 2.326e-02 7.526e-03 / + CHEB/ 1.773e-02 -2.069e-02 7.747e-03 8.397e-03 / + CHEB/ 1.496e-02 -1.921e-03 -4.045e-05 1.983e-03 / + +! Reaction index: Chemkin #228; RMG #4658 +! Template reaction: H_Abstraction +! Flux pairs: CH2O4(1005), CHO4(985); O(16), OH(3); +! From training reaction 205 used for O/H/NonDeO;O_atom_triplet +! Exact match found for rate rule [O/H/NonDeO;O_atom_triplet] +! Euclidian distance = 0 +! family: H_Abstraction +O(16)+CH2O4(1005)<=>OH(3)+CHO4(985) 8.700000e+12 0.000 4.750 + +! Reaction index: Chemkin #229; RMG #4660 +! Template reaction: H_Abstraction +! Flux pairs: CH2O4(1005), CHO4(985); CHO3(986), CH2O3(1000); +! Estimated using an average for rate rule [O/H/NonDeO;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+CH2O4(1005)<=>CHO4(985)+CH2O3(1000) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #230; RMG #4277 +! PDep reaction: PDepNetwork #26 +! Flux pairs: O2(2), CHO4(989); HOCO(10), CHO4(989); +O2(2)+HOCO(10)(+M)<=>CHO4(989)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.968e+00 9.476e-01 -1.910e-01 -3.245e-02 / + CHEB/ 1.628e+00 6.691e-01 1.833e-01 1.287e-02 / + CHEB/ 1.813e-01 -6.915e-02 2.252e-02 1.984e-02 / + CHEB/ 4.128e-02 -4.907e-02 -2.144e-02 -9.486e-04 / + CHEB/ 1.845e-02 -2.084e-03 -7.213e-03 -4.240e-03 / + CHEB/ 8.977e-03 5.015e-03 1.311e-03 -9.027e-04 / + +! Reaction index: Chemkin #231; RMG #4665 +! PDep reaction: PDepNetwork #95 +! Flux pairs: CHO4(989), HO2(4); CHO4(989), CO2(9); +CHO4(989)(+M)<=>HO2(4)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.023e+01 1.211e+00 -1.192e-01 -2.363e-02 / + CHEB/ -9.448e-02 3.270e-01 1.002e-01 5.545e-03 / + CHEB/ -1.071e-01 -2.872e-02 1.382e-02 1.370e-02 / + CHEB/ -2.024e-02 -8.978e-03 -5.715e-03 2.203e-04 / + CHEB/ -6.187e-03 9.102e-04 -1.317e-03 -1.257e-03 / + CHEB/ -3.053e-03 2.297e-04 1.052e-04 -2.438e-04 / + +! Reaction index: Chemkin #232; RMG #4667 +! PDep reaction: PDepNetwork #95 +! Flux pairs: CHO4(989), CHO4(985); +CHO4(989)(+M)<=>CHO4(985)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.029e+00 2.306e+00 -1.955e-01 -2.553e-02 / + CHEB/ 7.162e+00 7.824e-01 1.563e-01 2.110e-03 / + CHEB/ -3.580e-01 4.927e-03 4.804e-02 1.616e-02 / + CHEB/ -3.010e-02 -6.049e-02 -1.006e-02 4.952e-03 / + CHEB/ 5.086e-02 -2.015e-02 -1.153e-02 -2.043e-03 / + CHEB/ 4.378e-02 2.410e-04 -2.962e-03 -1.845e-03 / + +! Reaction index: Chemkin #233; RMG #4363 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO4(989)+O[CH]O(970)<=>FA(1)+CH2O4(1005) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #234; RMG #4367 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); CHO4(989), CH2O4(1005); +! Estimated using average of templates [X_H;O_rad/OneDeC] + [Orad_O_H;O_sec_rad] for rate rule [Orad_O_H;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HO2(4)+CHO4(989)<=>O2(2)+CH2O4(1005) 6.319327e+03 2.302 8.568 + +! Reaction index: Chemkin #235; RMG #4370 +! Template reaction: H_Abstraction +! Flux pairs: OH(3), H2O(17); CH2O4(1005), CHO4(989); +! From training reaction 692 used for O/H/OneDeC;O_pri_rad +! Exact match found for rate rule [O/H/OneDeC;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+CH2O4(1005)<=>H2O(17)+CHO4(989) 1.200000e+06 2.000 -0.250 + +! Reaction index: Chemkin #236; RMG #4373 +! Template reaction: H_Abstraction +! Flux pairs: H2O2(18), HO2(4); CHO4(989), CH2O4(1005); +! Estimated using an average for rate rule [H2O2;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +H2O2(18)+CHO4(989)<=>HO2(4)+CH2O4(1005) 1.398000e-01 3.750 19.545 + +! Reaction index: Chemkin #237; RMG #4374 +! Template reaction: H_Abstraction +! Flux pairs: H(5), H2(6); CH2O4(1005), CHO4(989); +! From training reaction 690 used for O/H/OneDeC;H_rad +! Exact match found for rate rule [O/H/OneDeC;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+CH2O4(1005)<=>H2(6)+CHO4(989) 2.400000e+08 1.500 6.620 + +! Reaction index: Chemkin #238; RMG #4379 +! Template reaction: CO_Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+CHO4(989)<=>CO(8)+CH2O4(1005) 1.806000e+14 0.000 0.000 + +! Reaction index: Chemkin #239; RMG #4381 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+CHO4(989)<=>CO2(9)+CH2O4(1005) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #240; RMG #4383 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+CHO4(989)<=>CO2(9)+CH2O4(1005) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #241; RMG #4393 +! Template reaction: H_Abstraction +! Flux pairs: CH2O4(1005), CHO4(985); CHO4(989), CH2O4(1005); +! Estimated using an average for rate rule [O/H/NonDeO;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO4(989)+CH2O4(1005)<=>CHO4(985)+CH2O4(1005) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #242; RMG #5649 +! PDep reaction: PDepNetwork #176 +! Flux pairs: H(5), CH2O4(1005); CHO4(989), CH2O4(1005); +H(5)+CHO4(989)(+M)<=>CH2O4(1005)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.120e+01 1.466e+00 -3.118e-02 -1.278e-02 / + CHEB/ -1.005e+00 7.285e-02 4.111e-02 1.626e-02 / + CHEB/ -2.147e-01 -1.977e-02 -1.023e-02 -3.206e-03 / + CHEB/ -2.474e-02 5.756e-05 -5.458e-04 -7.188e-04 / + CHEB/ 2.713e-02 3.690e-04 2.892e-04 1.693e-04 / + CHEB/ 3.555e-02 -1.263e-04 -6.585e-05 -1.576e-05 / + +! Reaction index: Chemkin #243; RMG #4413 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); CHO4(989), CH2O4(1005); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO4(989)+FA(1)<=>HOCO(10)+CH2O4(1005) 1.968453e+09 1.062 12.422 + +! Reaction index: Chemkin #244; RMG #4416 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); CHO4(989), CH2O4(1005); +! Estimated using template [CO_pri;O_rad/OneDe] for rate rule [CO_pri;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO4(989)+CH2O(12)<=>HCO(13)+CH2O4(1005) 1.420000e-07 5.640 9.221 + +! Reaction index: Chemkin #245; RMG #5650 +! PDep reaction: PDepNetwork #176 +! Flux pairs: CHO4(989), CHO3(986); H(5), OH(3); +H(5)+CHO4(989)(+M)<=>OH(3)+CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.360e+01 -5.411e-02 -3.103e-02 -1.272e-02 / + CHEB/ 1.729e-01 7.261e-02 4.099e-02 1.622e-02 / + CHEB/ 1.672e-02 -1.983e-02 -1.027e-02 -3.234e-03 / + CHEB/ 8.662e-03 7.954e-05 -5.328e-04 -7.136e-04 / + CHEB/ 2.737e-03 3.837e-04 2.991e-04 1.746e-04 / + CHEB/ 6.285e-04 -1.215e-04 -6.284e-05 -1.427e-05 / + +! Reaction index: Chemkin #246; RMG #4514 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O3(1000); O[C](O)O(1021), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 6.0 +CHO4(989)+O[C](O)O(1021)<=>CH2O3(1000)+CH2O4(1005) 1.086000e+14 0.000 0.000 + +! Reaction index: Chemkin #247; RMG #5651 +! PDep reaction: PDepNetwork #176 +! Flux pairs: CHO4(989), HOCO(10); H(5), HO2(4); +H(5)+CHO4(989)(+M)<=>HO2(4)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.115e+01 -5.293e-02 -3.038e-02 -1.248e-02 / + CHEB/ 7.043e-01 7.155e-02 4.045e-02 1.606e-02 / + CHEB/ 2.603e-01 -2.004e-02 -1.044e-02 -3.342e-03 / + CHEB/ 7.948e-02 2.027e-04 -4.581e-04 -6.814e-04 / + CHEB/ 2.304e-02 4.388e-04 3.365e-04 1.959e-04 / + CHEB/ 7.288e-03 -1.109e-04 -5.637e-05 -1.111e-05 / + +! Reaction index: Chemkin #248; RMG #4653 +! PDep reaction: PDepNetwork #94 +! Flux pairs: O(16), CHO4(989); CHO3(986), CHO4(989); +O(16)+CHO3(986)(+M)<=>CHO4(989)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.236e+00 1.303e+00 -1.173e-01 -4.200e-02 / + CHEB/ 5.849e-01 2.429e-01 1.254e-01 4.036e-02 / + CHEB/ 2.218e-01 -2.975e-02 -1.019e-02 1.140e-03 / + CHEB/ 7.113e-02 -7.624e-03 -5.344e-03 -2.752e-03 / + CHEB/ 2.211e-02 1.999e-04 -1.283e-04 -3.055e-04 / + CHEB/ 7.755e-03 2.846e-04 2.054e-04 1.108e-04 / + +! Reaction index: Chemkin #249; RMG #4661 +! Template reaction: H_Abstraction +! Flux pairs: O(16), OH(3); CH2O4(1005), CHO4(989); +! From training reaction 691 used for O/H/OneDeC;O_atom_triplet +! Exact match found for rate rule [O/H/OneDeC;O_atom_triplet] +! Euclidian distance = 0 +! family: H_Abstraction +O(16)+CH2O4(1005)<=>OH(3)+CHO4(989) 1.700000e+08 1.500 7.351 + +! Reaction index: Chemkin #250; RMG #599 +! Library reaction: CurranPentane +! Flux pairs: OH(3), HO2CHO(68); OCHO(11), HO2CHO(68); +OH(3)+OCHO(11)<=>HO2CHO(68) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #251; RMG #4686 +! PDep reaction: PDepNetwork #96 +! Flux pairs: HO2CHO(68), H2O2(18); HO2CHO(68), CO(8); +HO2CHO(68)(+M)<=>H2O2(18)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.337e+01 1.739e-01 -2.737e-02 1.091e-03 / + CHEB/ 2.097e+01 3.120e-01 -4.449e-02 4.763e-04 / + CHEB/ -1.069e-01 2.259e-01 -2.210e-02 -2.454e-03 / + CHEB/ -1.387e-01 1.317e-01 -2.409e-03 -3.512e-03 / + CHEB/ -9.155e-02 6.024e-02 6.892e-03 -2.291e-03 / + CHEB/ -5.043e-02 1.927e-02 7.382e-03 -4.295e-04 / + +! Reaction index: Chemkin #252; RMG #5436 +! PDep reaction: PDepNetwork #158 +! Flux pairs: HCO(13), CO(8); HO2(4), H2O2(18); +HO2(4)+HCO(13)(+M)<=>H2O2(18)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.095e+01 -9.864e-01 -1.065e-01 1.468e-02 / + CHEB/ 8.952e-01 6.066e-01 -2.288e-02 -2.253e-02 / + CHEB/ 2.094e-01 2.520e-01 4.049e-02 -1.411e-02 / + CHEB/ 3.935e-02 7.053e-02 3.363e-02 5.766e-04 / + CHEB/ -1.586e-02 -1.453e-03 1.578e-02 4.664e-03 / + CHEB/ -1.030e-02 -1.410e-02 2.298e-03 3.524e-03 / + +! Reaction index: Chemkin #253; RMG #5435 +! PDep reaction: PDepNetwork #158 +! Flux pairs: HO2(4), HO2CHO(68); HCO(13), HO2CHO(68); +HO2(4)+HCO(13)(+M)<=>HO2CHO(68)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.164e+01 4.086e-01 -1.086e-01 1.847e-02 / + CHEB/ -3.567e-01 4.592e-01 -5.072e-02 -1.507e-02 / + CHEB/ -2.698e-01 2.204e-01 1.056e-02 -1.522e-02 / + CHEB/ -1.600e-01 9.220e-02 1.871e-02 -5.286e-03 / + CHEB/ -8.185e-02 2.689e-02 1.414e-02 -1.496e-04 / + CHEB/ -3.827e-02 3.478e-03 6.182e-03 1.625e-03 / + +! Reaction index: Chemkin #254; RMG #103 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CH2OH(26); OH(3), H(5); +OH(3)+CH3(7)<=>H(5)+CH2OH(26) 1.000e+00 0.000 0.000 + PLOG/ 0.001316 8.400e+09 0.963 3.230 / + PLOG/ 0.013158 8.400e+09 0.963 3.230 / + PLOG/ 0.131579 1.000e+10 0.942 3.295 / + PLOG/ 1.315790 5.600e+10 0.740 3.971 / + PLOG/ 13.157900 5.500e+11 0.486 5.443 / + PLOG/ 131.579000 2.500e+10 0.909 6.402 / + +! Reaction index: Chemkin #255; RMG #166 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), H(5); CH2OH(26), CH2O(12); +! Reaction library: 'NOx2018' +CH2OH(26)(+M)<=>H(5)+CH2O(12)(+M) 7.400e+10 0.811 39.559 +CH4(20)/2.00/ CO2(9)/2.00/ H2O(17)/6.00/ H2(6)/2.00/ He(15)/0.67/ O2(2)/1.00/ CO(8)/1.50/ Ar(14)/0.85/ + LOW/ 3.500e+21 -1.990 23.983 / + TROE/ 8.440e-01 900 1 3.32e+03 / + +! Reaction index: Chemkin #256; RMG #167 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), CH2O(12); H(5), H2(6); +H(5)+CH2OH(26)<=>H2(6)+CH2O(12) 4.000000e+06 1.860 0.147 + +! Reaction index: Chemkin #257; RMG #168 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), CH2O(12); O(16), OH(3); +O(16)+CH2OH(26)<=>OH(3)+CH2O(12) 6.600000e+13 0.000 -0.693 + +! Reaction index: Chemkin #258; RMG #169 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), CH2O(12); OH(3), H2O(17); +OH(3)+CH2OH(26)<=>H2O(17)+CH2O(12) 2.400000e+13 0.000 0.000 + +! Reaction index: Chemkin #259; RMG #170 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), CH2O(12); HO2(4), H2O2(18); +HO2(4)+CH2OH(26)<=>H2O2(18)+CH2O(12) 1.200000e+13 0.000 0.000 + +! Reaction index: Chemkin #260; RMG #171 +! Library reaction: NOx2018 +O2(2)+CH2OH(26)<=>HO2(4)+CH2O(12) 7.200000e+13 0.000 3.736 +DUPLICATE +! Reaction index: Chemkin #261; RMG #171 +! Library reaction: NOx2018 +O2(2)+CH2OH(26)<=>HO2(4)+CH2O(12) 2.900000e+16 -1.500 0.000 +DUPLICATE + + +! Reaction index: Chemkin #262; RMG #174 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), CH2O(12); HCO(13), CH2O(12); +HCO(13)+CH2OH(26)<=>CH2O(12)+CH2O(12) 1.500000e+13 0.000 0.000 + +! Reaction index: Chemkin #263; RMG #3407 +! Library reaction: FFCM1(-) +! Flux pairs: CH2OH(26), CH2O(12); CH3(7), CH4(20); +CH3(7)+CH2OH(26)<=>CH2O(12)+CH4(20) 2.400000e+13 0.000 0.000 + +! Reaction index: Chemkin #264; RMG #4198 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CH2O(12); CH2OH(26), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+CH2OH(26)<=>CH2O(12)+FA(1) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #265; RMG #4200 +! Template reaction: Disproportionation +! Flux pairs: HOCO(10), FA(1); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+CH2OH(26)<=>CH2O(12)+FA(1) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #266; RMG #6262 +! PDep reaction: PDepNetwork #225 +! Flux pairs: CH2OH(26), FA(1); O(16), H(5); +O(16)+CH2OH(26)(+M)<=>H(5)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.237e+01 -9.977e-04 -6.157e-04 -2.931e-04 / + CHEB/ 4.624e-01 5.721e-04 3.528e-04 1.677e-04 / + CHEB/ 1.148e-01 -1.482e-04 -9.139e-05 -4.342e-05 / + CHEB/ 3.733e-02 -1.479e-04 -9.129e-05 -4.345e-05 / + CHEB/ 1.333e-02 -5.528e-05 -3.413e-05 -1.626e-05 / + CHEB/ 5.148e-03 -1.610e-05 -9.935e-06 -4.729e-06 / + +! Reaction index: Chemkin #267; RMG #4387 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(989)+CH2OH(26)<=>CH2O(12)+CH2O4(1005) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #268; RMG #4388 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CHO4(985)+CH2OH(26)<=>CH2O(12)+CH2O4(1005) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #269; RMG #4507 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+CH2OH(26)<=>CH2O(12)+CH2O3(1000) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #270; RMG #4541 +! PDep reaction: PDepNetwork #24 +! Flux pairs: FA(1), OCHO(11); CH2O(12), CH2OH(26); +CH2O(12)+FA(1)(+M)<=>OCHO(11)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.126e+01 -1.113e+00 -8.694e-02 1.155e-02 / + CHEB/ 2.732e+01 5.663e-01 -6.707e-02 -1.049e-02 / + CHEB/ 1.076e-02 2.726e-01 1.078e-02 -1.712e-02 / + CHEB/ -1.384e-01 7.236e-02 3.273e-02 -7.072e-03 / + CHEB/ -1.187e-01 -1.392e-02 2.119e-02 2.606e-03 / + CHEB/ -6.004e-02 -2.812e-02 4.918e-03 5.058e-03 / + +! Reaction index: Chemkin #271; RMG #4778 +! PDep reaction: PDepNetwork #107 +! Flux pairs: CO3(1034), CO2(9); OH(3), HO2(4); +OH(3)+CO3(1034)(+M)<=>HO2(4)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.098e+00 -4.712e-01 -1.680e-01 -1.848e-02 / + CHEB/ 5.455e+00 3.975e-01 9.451e-02 -2.018e-02 / + CHEB/ 2.128e-01 1.025e-02 3.358e-02 1.671e-02 / + CHEB/ 7.660e-02 -5.014e-03 6.905e-04 5.087e-03 / + CHEB/ 2.293e-02 8.625e-04 -6.488e-04 -1.949e-04 / + CHEB/ 7.091e-03 -4.978e-04 -1.414e-04 -1.651e-04 / +DUPLICATE + +! Reaction index: Chemkin #272; RMG #4784 +! PDep reaction: PDepNetwork #108 +! Flux pairs: CO3(1034), HOCO(10); OH(3), O2(2); +OH(3)+CO3(1034)(+M)<=>O2(2)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.502e+00 -2.241e-01 -1.200e-01 -4.253e-02 / + CHEB/ 1.295e+00 2.520e-01 1.293e-01 4.097e-02 / + CHEB/ 3.958e-01 -3.350e-02 -1.168e-02 1.009e-03 / + CHEB/ 9.976e-02 -7.717e-03 -5.564e-03 -2.945e-03 / + CHEB/ 2.437e-02 6.830e-04 1.235e-04 -2.323e-04 / + CHEB/ 7.328e-03 2.969e-04 2.355e-04 1.410e-04 / + +! Reaction index: Chemkin #273; RMG #4781 +! PDep reaction: PDepNetwork #108 +! Flux pairs: OH(3), CHO4(985); CO3(1034), CHO4(985); +OH(3)+CO3(1034)(+M)<=>CHO4(985)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.401e+00 1.287e+00 -1.247e-01 -4.391e-02 / + CHEB/ 1.331e-01 2.594e-01 1.325e-01 4.149e-02 / + CHEB/ 2.065e-01 -3.102e-02 -9.986e-03 1.883e-03 / + CHEB/ 1.321e-01 -8.877e-03 -6.116e-03 -3.059e-03 / + CHEB/ 8.364e-02 2.485e-04 -1.804e-04 -3.988e-04 / + CHEB/ 4.728e-02 4.274e-04 2.932e-04 1.466e-04 / + +! Reaction index: Chemkin #274; RMG #4664 +! PDep reaction: PDepNetwork #94 +! Flux pairs: CHO3(986), CO3(1034); O(16), OH(3); +O(16)+CHO3(986)(+M)<=>OH(3)+CO3(1034)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.606e+00 -1.852e-01 -1.008e-01 -3.699e-02 / + CHEB/ 2.655e+00 2.098e-01 1.100e-01 3.686e-02 / + CHEB/ 5.683e-01 -3.015e-02 -1.184e-02 -5.764e-04 / + CHEB/ 1.219e-01 -4.185e-03 -3.341e-03 -1.973e-03 / + CHEB/ 3.218e-02 2.564e-04 4.931e-05 -1.020e-04 / + CHEB/ 1.069e-02 -8.125e-05 -2.140e-05 9.519e-06 / + +! Reaction index: Chemkin #275; RMG #4780 +! PDep reaction: PDepNetwork #108 +! Flux pairs: OH(3), CHO4(989); CO3(1034), CHO4(989); +OH(3)+CO3(1034)(+M)<=>CHO4(989)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.046e+01 1.379e+00 -7.530e-02 -2.615e-02 / + CHEB/ -5.166e-01 1.387e-01 6.914e-02 2.012e-02 / + CHEB/ -1.043e-01 -6.320e-03 6.302e-04 3.428e-03 / + CHEB/ -4.467e-02 -2.462e-03 -1.612e-03 -6.407e-04 / + CHEB/ -2.066e-02 -4.011e-04 -3.439e-04 -2.485e-04 / + CHEB/ -7.243e-03 -1.881e-04 -1.161e-04 -6.160e-05 / + +! Reaction index: Chemkin #276; RMG #4702 +! PDep reaction: PDepNetwork #60 +! Flux pairs: OH(3), O[CH]O(970); CH2O(12), O[CH]O(970); +OH(3)+CH2O(12)(+M)<=>O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.788e+00 1.502e+00 -1.121e-02 -5.236e-03 / + CHEB/ 4.010e+00 1.468e-02 8.945e-03 4.148e-03 / + CHEB/ 4.582e-01 -9.799e-04 -5.777e-04 -2.501e-04 / + CHEB/ 1.906e-01 -1.583e-03 -9.667e-04 -4.509e-04 / + CHEB/ 7.931e-02 -3.465e-04 -2.145e-04 -1.027e-04 / + CHEB/ 2.281e-02 1.292e-04 7.867e-05 3.642e-05 / + +! Reaction index: Chemkin #277; RMG #608 +! Library reaction: CurranPentane +! Flux pairs: CH2OH(26), HOCH2O(38); HO2(4), OH(3); +HO2(4)+CH2OH(26)<=>OH(3)+HOCH2O(38) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #278; RMG #4701 +! PDep reaction: PDepNetwork #60 +! Flux pairs: OH(3), HOCH2O(38); CH2O(12), HOCH2O(38); +OH(3)+CH2O(12)(+M)<=>HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.978e+00 1.504e+00 -1.041e-02 -4.790e-03 / + CHEB/ 1.497e+00 1.590e-02 9.578e-03 4.341e-03 / + CHEB/ 8.760e-02 -1.465e-03 -8.422e-04 -3.444e-04 / + CHEB/ 1.027e-01 -1.634e-03 -9.945e-04 -4.602e-04 / + CHEB/ 5.749e-02 -1.898e-04 -1.233e-04 -6.436e-05 / + CHEB/ 1.804e-02 1.507e-04 9.109e-05 4.153e-05 / + +! Reaction index: Chemkin #279; RMG #4153 +! PDep reaction: PDepNetwork #2 +! Flux pairs: HOCH2O(38), H(5); HOCH2O(38), FA(1); +HOCH2O(38)(+M)<=>H(5)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.299e+00 1.249e+00 -1.143e-01 -2.184e-02 / + CHEB/ 3.768e+00 2.486e-01 9.546e-02 1.176e-02 / + CHEB/ -3.109e-01 1.742e-02 1.392e-02 6.852e-03 / + CHEB/ -3.545e-02 -1.455e-02 -4.509e-03 3.982e-04 / + CHEB/ 2.056e-02 -3.786e-03 -2.327e-03 -8.629e-04 / + CHEB/ 1.283e-02 1.740e-03 2.605e-04 -3.042e-04 / +DUPLICATE + +! Reaction index: Chemkin #280; RMG #4164 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+HOCH2O(38)<=>FA(1)+FA(1) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #281; RMG #4166 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+HOCH2O(38)<=>FA(1)+FA(1) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #282; RMG #4176 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O(16)+HOCH2O(38)<=>OH(3)+FA(1) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #283; RMG #4179 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); O2(2), HO2(4); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +O2(2)+HOCH2O(38)<=>HO2(4)+FA(1) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #284; RMG #4185 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +H(5)+HOCH2O(38)<=>H2(6)+FA(1) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #285; RMG #4203 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+HOCH2O(38)<=>CH2O(12)+FA(1) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #286; RMG #4207 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OH(3)+HOCH2O(38)<=>H2O(17)+FA(1) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #287; RMG #4340 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HO2(4)+HOCH2O(38)<=>H2O2(18)+FA(1) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #288; RMG #4365 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO4(989)+HOCH2O(38)<=>FA(1)+CH2O4(1005) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #289; RMG #4366 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(985)+HOCH2O(38)<=>FA(1)+CH2O4(1005) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #290; RMG #4493 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+HOCH2O(38)<=>FA(1)+CH2O3(1000) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #291; RMG #4542 +! PDep reaction: PDepNetwork #24 +! Flux pairs: FA(1), HOCH2O(38); CH2O(12), HCO(13); +CH2O(12)+FA(1)(+M)<=>HCO(13)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.365e+01 -1.069e+00 -9.587e-02 1.313e-02 / + CHEB/ 2.830e+01 5.888e-01 -5.696e-02 -1.537e-02 / + CHEB/ -5.276e-02 2.625e-01 2.196e-02 -1.806e-02 / + CHEB/ -1.517e-01 5.814e-02 3.536e-02 -4.668e-03 / + CHEB/ -1.177e-01 -2.091e-02 1.830e-02 4.600e-03 / + CHEB/ -5.697e-02 -2.883e-02 1.746e-03 5.295e-03 / + +! Reaction index: Chemkin #292; RMG #4708 +! PDep reaction: PDepNetwork #2 +! Flux pairs: HOCH2O(38), O[CH]O(970); +HOCH2O(38)(+M)<=>O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.850e+00 3.018e+00 -1.437e-02 -6.686e-03 / + CHEB/ 9.528e+00 1.334e-02 8.130e-03 3.777e-03 / + CHEB/ 6.205e-02 -1.063e-03 -6.099e-04 -2.482e-04 / + CHEB/ 1.280e-01 -2.011e-03 -1.213e-03 -5.515e-04 / + CHEB/ 7.862e-02 -6.214e-04 -3.743e-04 -1.699e-04 / + CHEB/ 1.928e-02 1.454e-04 9.155e-05 4.502e-05 / + +! Reaction index: Chemkin #293; RMG #6261 +! PDep reaction: PDepNetwork #225 +! Flux pairs: O(16), O[CH]O(970); CH2OH(26), O[CH]O(970); +O(16)+CH2OH(26)(+M)<=>O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.405e+00 1.520e+00 -6.829e-04 -3.251e-04 / + CHEB/ 8.713e-01 5.364e-04 3.308e-04 1.572e-04 / + CHEB/ 3.161e-01 -1.805e-04 -1.113e-04 -5.291e-05 / + CHEB/ 1.678e-01 -1.730e-04 -1.068e-04 -5.084e-05 / + CHEB/ 7.816e-02 -7.024e-05 -4.336e-05 -2.066e-05 / + CHEB/ 2.338e-02 -2.204e-05 -1.360e-05 -6.474e-06 / + +! Reaction index: Chemkin #294; RMG #6260 +! PDep reaction: PDepNetwork #225 +! Flux pairs: O(16), HOCH2O(38); CH2OH(26), HOCH2O(38); +O(16)+CH2OH(26)(+M)<=>HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.615e+00 1.520e+00 -6.133e-04 -2.920e-04 / + CHEB/ 2.067e-01 5.752e-04 3.547e-04 1.687e-04 / + CHEB/ 1.634e-01 -1.459e-04 -8.996e-05 -4.274e-05 / + CHEB/ 1.338e-01 -1.462e-04 -9.024e-05 -4.295e-05 / + CHEB/ 6.674e-02 -5.420e-05 -3.346e-05 -1.594e-05 / + CHEB/ 1.987e-02 -1.554e-05 -9.590e-06 -4.564e-06 / + +! Reaction index: Chemkin #295; RMG #4733 +! PDep reaction: PDepNetwork #102 +! Flux pairs: [CH]1OO1(971), OCHO(11); +[CH]1OO1(971)(+M)<=>OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.028e+00 3.016e+00 -1.517e-02 -6.980e-03 / + CHEB/ 6.905e-01 4.494e-03 2.687e-03 1.199e-03 / + CHEB/ -2.230e-01 3.677e-03 2.200e-03 9.833e-04 / + CHEB/ -1.024e-01 2.038e-03 1.224e-03 5.523e-04 / + CHEB/ -8.936e-02 3.604e-04 2.235e-04 1.073e-04 / + CHEB/ -2.586e-02 -6.346e-05 -3.413e-05 -1.167e-05 / + +! Reaction index: Chemkin #296; RMG #4738 +! PDep reaction: PDepNetwork #102 +! Flux pairs: [CH]1OO1(971), HOCO(10); +[CH]1OO1(971)(+M)<=>HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.455e+00 3.012e+00 -1.769e-02 -8.175e-03 / + CHEB/ 5.265e-01 7.625e-03 4.612e-03 2.109e-03 / + CHEB/ -3.169e-01 4.007e-03 2.405e-03 1.083e-03 / + CHEB/ -1.186e-01 1.966e-03 1.181e-03 5.318e-04 / + CHEB/ -6.395e-02 1.417e-04 8.891e-05 4.358e-05 / + CHEB/ -8.277e-03 -8.557e-05 -4.807e-05 -1.858e-05 / + +! Reaction index: Chemkin #297; RMG #4741 +! PDep reaction: PDepNetwork #102 +! Flux pairs: [CH]1OO1(971), OH(3); [CH]1OO1(971), CO(8); +[CH]1OO1(971)(+M)<=>OH(3)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.691e+00 1.492e+00 -1.770e-02 -8.177e-03 / + CHEB/ -3.627e-02 7.607e-03 4.601e-03 2.104e-03 / + CHEB/ -5.512e-01 3.991e-03 2.395e-03 1.078e-03 / + CHEB/ -1.956e-01 1.955e-03 1.174e-03 5.286e-04 / + CHEB/ -1.270e-01 1.348e-04 8.473e-05 4.164e-05 / + CHEB/ -3.917e-02 -8.909e-05 -5.022e-05 -1.958e-05 / + +! Reaction index: Chemkin #298; RMG #4740 +! PDep reaction: PDepNetwork #102 +! Flux pairs: [CH]1OO1(971), H(5); [CH]1OO1(971), CO2(9); +[CH]1OO1(971)(+M)<=>H(5)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.144e+00 1.492e+00 -1.752e-02 -8.098e-03 / + CHEB/ 1.096e+00 7.983e-03 4.828e-03 2.207e-03 / + CHEB/ -1.505e-01 4.185e-03 2.514e-03 1.133e-03 / + CHEB/ -9.546e-02 2.017e-03 1.212e-03 5.468e-04 / + CHEB/ -6.262e-02 1.386e-04 8.754e-05 4.343e-05 / + CHEB/ -1.947e-02 -9.725e-05 -5.491e-05 -2.149e-05 / + +! Reaction index: Chemkin #299; RMG #4721 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(7)+O[CH]O(970)<=>FA(1)+CH4(20) 1.698000e+14 0.000 0.000 + +! Reaction index: Chemkin #300; RMG #4722 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH3(7)+HOCH2O(38)<=>FA(1)+CH4(20) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #301; RMG #4725 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +! Multiplied by reaction path degeneracy 3.0 +CH3(7)+O[C](O)O(1021)<=>CH2O3(1000)+CH4(20) 2.547000e+14 0.000 0.000 + +! Reaction index: Chemkin #302; RMG #6595 +! PDep reaction: PDepNetwork #254 +! Flux pairs: [O]C(O)O(972), FA(1); O(16), HO2(4); +O(16)+[O]C(O)O(972)(+M)<=>HO2(4)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.200e+01 -2.680e-01 -1.156e-01 -2.369e-02 / + CHEB/ 3.836e-01 3.013e-01 1.170e-01 1.416e-02 / + CHEB/ 1.902e-02 -1.517e-02 8.423e-03 1.184e-02 / + CHEB/ -4.469e-03 -2.645e-02 -1.304e-02 -2.625e-03 / + CHEB/ 3.290e-03 -7.585e-03 -5.739e-03 -3.139e-03 / + CHEB/ 6.076e-03 1.744e-03 2.289e-04 -6.031e-04 / + +! Reaction index: Chemkin #303; RMG #4489 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+[O]C(O)O(972)<=>FA(1)+CH2O3(1000) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #304; RMG #4491 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+[O]C(O)O(972)<=>FA(1)+CH2O3(1000) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #305; RMG #4496 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); O2(2), HO2(4); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2(2)+[O]C(O)O(972)<=>HO2(4)+CH2O3(1000) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #306; RMG #4501 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +H(5)+[O]C(O)O(972)<=>H2(6)+CH2O3(1000) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #307; RMG #4506 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCO(13)+[O]C(O)O(972)<=>CH2O(12)+CH2O3(1000) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #308; RMG #4511 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+[O]C(O)O(972)<=>H2O(17)+CH2O3(1000) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #309; RMG #4513 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+[O]C(O)O(972)<=>H2O2(18)+CH2O3(1000) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #310; RMG #4515 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(989)+[O]C(O)O(972)<=>CH2O3(1000)+CH2O4(1005) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #311; RMG #4517 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +CHO4(985)+[O]C(O)O(972)<=>CH2O3(1000)+CH2O4(1005) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #312; RMG #4521 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+[O]C(O)O(972)<=>CH2O3(1000)+CH2O3(1000) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #313; RMG #4548 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +O(16)+[O]C(O)O(972)<=>OH(3)+CH2O3(1000) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #314; RMG #4735 +! PDep reaction: PDepNetwork #103 +! Flux pairs: [O]C(O)O(972), H(5); [O]C(O)O(972), CH2O3(1000); +[O]C(O)O(972)(+M)<=>H(5)+CH2O3(1000)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.458e+00 3.772e-01 -8.166e-02 5.018e-03 / + CHEB/ 1.447e+00 5.432e-01 -7.548e-02 -1.312e-02 / + CHEB/ 1.216e-01 2.906e-01 -5.158e-03 -1.671e-02 / + CHEB/ -3.690e-02 1.036e-01 2.638e-02 -9.557e-03 / + CHEB/ -3.514e-02 1.448e-02 2.550e-02 -1.243e-03 / + CHEB/ -1.422e-02 -5.789e-03 1.191e-02 3.163e-03 / + +! Reaction index: Chemkin #315; RMG #4737 +! PDep reaction: PDepNetwork #103 +! Flux pairs: [O]C(O)O(972), O[C](O)O(1021); +[O]C(O)O(972)(+M)<=>O[C](O)O(1021)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.743e+00 2.593e+00 -1.834e-01 -3.092e-02 / + CHEB/ 1.218e+01 1.581e-01 5.411e-02 1.370e-04 / + CHEB/ -5.111e-01 1.704e-01 4.966e-02 -4.797e-03 / + CHEB/ -2.849e-01 2.946e-02 1.742e-02 5.576e-03 / + CHEB/ -7.923e-02 -1.603e-02 3.660e-03 6.351e-03 / + CHEB/ -1.952e-02 1.266e-03 1.104e-03 1.096e-03 / + +! Reaction index: Chemkin #316; RMG #4726 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH3(7)+[O]C(O)O(972)<=>CH2O3(1000)+CH4(20) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #317; RMG #4736 +! PDep reaction: PDepNetwork #103 +! Flux pairs: [O]C(O)O(972), OH(3); [O]C(O)O(972), FA(1); +[O]C(O)O(972)(+M)<=>OH(3)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.108e+00 9.404e-01 -1.957e-01 -1.319e-02 / + CHEB/ 9.587e+00 2.551e-01 6.253e-02 -1.354e-02 / + CHEB/ 1.068e-01 2.046e-01 4.409e-02 -1.164e-02 / + CHEB/ 5.169e-03 3.485e-02 2.321e-02 6.078e-03 / + CHEB/ 3.160e-03 -1.709e-02 9.204e-03 8.019e-03 / + CHEB/ -8.559e-03 -2.437e-04 1.081e-03 2.187e-03 / + +! Reaction index: Chemkin #318; RMG #4728 +! PDep reaction: PDepNetwork #12 +! Flux pairs: OH(3), O[C](O)O(1021); FA(1), O[C](O)O(1021); +OH(3)+FA(1)(+M)<=>O[C](O)O(1021)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.049e+01 1.108e+00 -1.724e-01 -3.129e-02 / + CHEB/ 1.293e+01 1.812e-01 6.533e-02 2.998e-03 / + CHEB/ 2.155e-01 1.646e-01 5.302e-02 -9.759e-04 / + CHEB/ -6.942e-02 2.012e-02 1.577e-02 7.095e-03 / + CHEB/ -3.237e-02 -2.127e-02 8.469e-04 6.126e-03 / + CHEB/ 1.554e-02 -8.299e-04 -4.602e-04 5.576e-04 / + +! Reaction index: Chemkin #319; RMG #7469 +! PDep reaction: PDepNetwork #292 +! Flux pairs: O[CH]O(970), FA(1); O(16), OH(3); +O(16)+O[CH]O(970)(+M)<=>OH(3)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.916e+00 -1.194e-01 -6.653e-02 -2.563e-02 / + CHEB/ 1.302e+00 4.368e-02 2.395e-02 8.845e-03 / + CHEB/ 3.075e-01 6.342e-02 3.299e-02 1.069e-02 / + CHEB/ 9.380e-02 4.262e-03 3.104e-03 1.808e-03 / + CHEB/ 2.881e-02 -1.305e-02 -5.763e-03 -9.627e-04 / + CHEB/ 1.574e-02 3.827e-04 8.869e-05 -4.365e-05 / + +! Reaction index: Chemkin #320; RMG #7467 +! PDep reaction: PDepNetwork #292 +! Flux pairs: O(16), O[C](O)O(1021); O[CH]O(970), O[C](O)O(1021); +O(16)+O[CH]O(970)(+M)<=>O[C](O)O(1021)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.798e+00 1.400e+00 -6.705e-02 -2.583e-02 / + CHEB/ 6.943e-01 4.280e-02 2.345e-02 8.634e-03 / + CHEB/ -1.015e-01 6.338e-02 3.292e-02 1.063e-02 / + CHEB/ -1.343e-01 4.448e-03 3.189e-03 1.824e-03 / + CHEB/ -3.631e-02 -1.293e-02 -5.693e-03 -9.336e-04 / + CHEB/ 1.258e-02 4.391e-04 1.254e-04 -2.558e-05 / + +! Reaction index: Chemkin #321; RMG #7466 +! PDep reaction: PDepNetwork #292 +! Flux pairs: O(16), [O]C(O)O(972); O[CH]O(970), [O]C(O)O(972); +O(16)+O[CH]O(970)(+M)<=>[O]C(O)O(972)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.072e+01 1.399e+00 -6.762e-02 -2.601e-02 / + CHEB/ 1.930e-01 4.180e-02 2.287e-02 8.400e-03 / + CHEB/ -2.103e-01 6.353e-02 3.292e-02 1.056e-02 / + CHEB/ -5.848e-02 4.777e-03 3.341e-03 1.854e-03 / + CHEB/ 1.513e-03 -1.274e-02 -5.571e-03 -8.745e-04 / + CHEB/ -1.773e-02 5.452e-04 1.991e-04 1.496e-05 / + +! Reaction index: Chemkin #322; RMG #4787 +! PDep reaction: PDepNetwork #110 +! Flux pairs: O-2(1040), CO3(1034); CO2(9), CO3(1034); +O-2(1040)+CO2(9)(+M)<=>CO3(1034)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.270e+01 3.844e-01 -8.173e-02 7.640e-03 / + CHEB/ -4.901e-01 4.413e-01 -4.044e-02 -1.160e-02 / + CHEB/ -2.588e-01 1.770e-01 1.083e-02 -7.687e-03 / + CHEB/ -1.203e-01 5.790e-02 1.241e-02 -7.969e-04 / + CHEB/ -5.175e-02 1.509e-02 6.045e-03 8.987e-04 / + CHEB/ -2.132e-02 3.376e-03 1.586e-03 7.367e-04 / + +! Reaction index: Chemkin #323; RMG #4744 +! PDep reaction: PDepNetwork #104 +! Flux pairs: O(16), [CH]1OO1(971); HCO(13), [CH]1OO1(971); +O(16)+HCO(13)(+M)<=>[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.222e+00 1.504e+00 -1.037e-02 -4.824e-03 / + CHEB/ 1.091e+00 4.448e-03 2.685e-03 1.222e-03 / + CHEB/ 2.753e-01 2.867e-03 1.735e-03 7.937e-04 / + CHEB/ 7.361e-02 7.828e-04 4.785e-04 2.234e-04 / + CHEB/ -1.821e-02 6.233e-05 4.123e-05 2.216e-05 / + CHEB/ 3.349e-03 -1.736e-05 -9.499e-06 -3.401e-06 / + +! Reaction index: Chemkin #324; RMG #4782 +! PDep reaction: PDepNetwork #108 +! Flux pairs: CO3(1034), CO2(9); OH(3), HO2(4); +OH(3)+CO3(1034)(+M)<=>HO2(4)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.207e+01 -1.415e-01 -7.517e-02 -2.611e-02 / + CHEB/ 2.320e-01 1.389e-01 6.925e-02 2.018e-02 / + CHEB/ 5.963e-02 -6.315e-03 6.389e-04 3.437e-03 / + CHEB/ 1.035e-02 -2.480e-03 -1.622e-03 -6.446e-04 / + CHEB/ 2.495e-04 -4.122e-04 -3.510e-04 -2.522e-04 / + CHEB/ 3.918e-04 -1.937e-04 -1.198e-04 -6.352e-05 / +DUPLICATE + +! Reaction index: Chemkin #325; RMG #4816 +! PDep reaction: PDepNetwork #112 +! Flux pairs: O[C]1OO1(1008), OH(3); O[C]1OO1(1008), CO2(9); +O[C]1OO1(1008)(+M)<=>OH(3)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.001e+01 1.511e+00 -6.039e-03 -2.831e-03 / + CHEB/ 1.947e-01 -3.376e-03 -2.045e-03 -9.381e-04 / + CHEB/ -1.909e-01 2.144e-03 1.303e-03 6.010e-04 / + CHEB/ -8.500e-02 1.669e-03 1.004e-03 4.539e-04 / + CHEB/ -6.677e-03 -3.541e-04 -2.207e-04 -1.069e-04 / + CHEB/ 8.983e-03 -8.694e-04 -5.256e-04 -2.401e-04 / + +! Reaction index: Chemkin #326; RMG #4813 +! PDep reaction: PDepNetwork #112 +! Flux pairs: O[C]1OO1(1008), CHO3(986); +O[C]1OO1(1008)(+M)<=>CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.335e+00 3.031e+00 -6.090e-03 -2.855e-03 / + CHEB/ 5.732e-02 -3.482e-03 -2.109e-03 -9.672e-04 / + CHEB/ -3.031e-01 2.128e-03 1.293e-03 5.964e-04 / + CHEB/ -1.527e-01 1.688e-03 1.015e-03 4.587e-04 / + CHEB/ -2.131e-03 -3.437e-04 -2.147e-04 -1.044e-04 / + CHEB/ 2.832e-02 -8.726e-04 -5.276e-04 -2.411e-04 / + +! Reaction index: Chemkin #327; RMG #4647 +! PDep reaction: PDepNetwork #92 +! Flux pairs: O(16), O[C]1OO1(1008); HOCO(10), O[C]1OO1(1008); +O(16)+HOCO(10)(+M)<=>O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.316e+00 1.517e+00 -2.308e-03 -1.096e-03 / + CHEB/ 1.168e+00 -1.711e-03 -1.051e-03 -4.957e-04 / + CHEB/ 2.567e-01 3.272e-04 2.033e-04 9.802e-05 / + CHEB/ -5.752e-04 7.045e-04 4.343e-04 2.063e-04 / + CHEB/ -1.088e-02 1.873e-04 1.153e-04 5.460e-05 / + CHEB/ -4.343e-03 -8.290e-05 -5.099e-05 -2.411e-05 / + +! Reaction index: Chemkin #328; RMG #4694 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +OH(3)+O[C]1OO1(1008)<=>H2O(17)+CO3(1034) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #329; RMG #4696 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O +H(5)+O[C]1OO1(1008)<=>H2(6)+CO3(1034) 1.151490e+09 1.378 0.000 + +! Reaction index: Chemkin #330; RMG #4771 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C +O(16)+O[C]1OO1(1008)<=>OH(3)+CO3(1034) 1.990160e+14 -0.226 0.000 + +! Reaction index: Chemkin #331; RMG #4774 +! Template reaction: Disproportionation +! Flux pairs: O2(2), HO2(4); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +O2(2)+O[C]1OO1(1008)<=>HO2(4)+CO3(1034) 5.263520e+14 -0.401 0.000 + +! Reaction index: Chemkin #332; RMG #4921 +! PDep reaction: PDepNetwork #123 +! Flux pairs: CO3(1034), CO2(9); H(5), OH(3); +H(5)+CO3(1034)(+M)<=>OH(3)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.590e+00 -3.485e-03 -2.148e-03 -1.020e-03 / + CHEB/ 3.599e+00 -1.698e-03 -1.043e-03 -4.925e-04 / + CHEB/ 1.503e-01 2.466e-04 1.536e-04 7.446e-05 / + CHEB/ -1.312e-02 6.595e-04 4.067e-04 1.934e-04 / + CHEB/ -3.591e-02 1.920e-04 1.182e-04 5.601e-05 / + CHEB/ -2.693e-02 -7.271e-05 -4.478e-05 -2.123e-05 / + +! Reaction index: Chemkin #333; RMG #4919 +! PDep reaction: PDepNetwork #123 +! Flux pairs: H(5), CHO3(986); CO3(1034), CHO3(986); +H(5)+CO3(1034)(+M)<=>CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.866e+00 1.517e+00 -2.160e-03 -1.026e-03 / + CHEB/ 3.460e+00 -1.732e-03 -1.065e-03 -5.025e-04 / + CHEB/ 4.094e-02 2.232e-04 1.392e-04 6.767e-05 / + CHEB/ -7.824e-02 6.461e-04 3.985e-04 1.895e-04 / + CHEB/ -2.991e-02 1.853e-04 1.141e-04 5.408e-05 / + CHEB/ -7.075e-03 -7.551e-05 -4.649e-05 -2.203e-05 / + +! Reaction index: Chemkin #334; RMG #4920 +! PDep reaction: PDepNetwork #123 +! Flux pairs: CO3(1034), HOCO(10); H(5), O(16); +H(5)+CO3(1034)(+M)<=>O(16)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.691e+00 -2.737e-03 -1.688e-03 -8.025e-04 / + CHEB/ 4.788e+00 -5.817e-04 -3.575e-04 -1.688e-04 / + CHEB/ 5.082e-01 8.235e-04 5.080e-04 2.416e-04 / + CHEB/ 4.256e-02 8.540e-04 5.261e-04 2.496e-04 / + CHEB/ -3.246e-02 2.080e-04 1.279e-04 6.045e-05 / + CHEB/ -2.111e-02 -1.123e-04 -6.924e-05 -3.292e-05 / + +! Reaction index: Chemkin #335; RMG #4796 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), FA(1); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+O[C]1OO1(1008)<=>CO3(1034)+FA(1) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #336; RMG #4798 +! Template reaction: Disproportionation +! Flux pairs: O[C]1OO1(1008), CO3(1034); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS +HOCO(10)+O[C]1OO1(1008)<=>CO3(1034)+FA(1) 7.381120e+13 -0.000 0.000 + +! Reaction index: Chemkin #337; RMG #4805 +! PDep reaction: PDepNetwork #111 +! Flux pairs: FA(1), [CH]1OO1(971); O-2(1040), OH(3); +O-2(1040)+FA(1)(+M)<=>OH(3)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.360e-01 -3.479e-01 -1.510e-01 -3.076e-02 / + CHEB/ 1.251e+01 2.300e-01 8.463e-02 5.796e-03 / + CHEB/ 1.463e-02 7.050e-02 3.458e-02 9.121e-03 / + CHEB/ -5.138e-02 1.442e-02 1.017e-02 4.961e-03 / + CHEB/ -4.024e-02 -2.124e-03 7.515e-04 1.617e-03 / + CHEB/ -2.133e-02 -4.700e-03 -1.730e-03 3.842e-05 / + +! Reaction index: Chemkin #338; RMG #4806 +! PDep reaction: PDepNetwork #111 +! Flux pairs: FA(1), O[C]1OO1(1008); O-2(1040), H(5); +O-2(1040)+FA(1)(+M)<=>H(5)+O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.590e+00 -2.852e-01 -1.316e-01 -3.206e-02 / + CHEB/ 1.311e+01 2.064e-01 8.484e-02 1.249e-02 / + CHEB/ -3.472e-02 5.865e-02 3.102e-02 1.008e-02 / + CHEB/ -7.115e-02 9.392e-03 7.395e-03 4.242e-03 / + CHEB/ -5.194e-02 -3.918e-03 -7.014e-04 8.616e-04 / + CHEB/ -3.068e-02 -4.755e-03 -2.145e-03 -3.824e-04 / + +! Reaction index: Chemkin #339; RMG #4808 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +HO2(4)+O[C]1OO1(1008)<=>H2O2(18)+CO3(1034) 1.210000e+13 0.000 0.000 + +! Reaction index: Chemkin #340; RMG #4810 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[C]1OO1(1008)+CHO3(986)<=>CO3(1034)+CH2O3(1000) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #341; RMG #4918 +! PDep reaction: PDepNetwork #123 +! Flux pairs: H(5), O[C]1OO1(1008); CO3(1034), O[C]1OO1(1008); +H(5)+CO3(1034)(+M)<=>O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.203e+00 1.518e+00 -1.517e-03 -7.192e-04 / + CHEB/ 4.125e+00 -2.034e-03 -1.251e-03 -5.909e-04 / + CHEB/ 1.723e-01 -8.811e-06 -3.841e-06 -3.334e-07 / + CHEB/ -3.758e-02 5.164e-04 3.185e-04 1.515e-04 / + CHEB/ -1.464e-02 2.312e-04 1.424e-04 6.751e-05 / + CHEB/ -1.768e-04 -1.010e-05 -6.160e-06 -2.864e-06 / + +! Reaction index: Chemkin #342; RMG #104 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CH3O(27); OH(3), H(5); +OH(3)+CH3(7)<=>H(5)+CH3O(27) 1.000e+00 0.000 0.000 + PLOG/ 0.001316 7.900e+08 1.065 11.859 / + PLOG/ 0.013158 7.900e+08 1.065 11.859 / + PLOG/ 0.131579 7.900e+08 1.065 11.859 / + PLOG/ 1.315790 7.900e+08 1.065 11.859 / + PLOG/ 13.157900 1.000e+09 1.034 11.970 / + PLOG/ 131.579000 3.100e+09 0.922 12.981 / + +! Reaction index: Chemkin #343; RMG #106 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CH3O(27); HO2(4), OH(3); +HO2(4)+CH3(7)<=>OH(3)+CH3O(27) 1.000000e+12 0.269 -0.688 + +! Reaction index: Chemkin #344; RMG #107 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CH3O(27); O2(2), O(16); +O2(2)+CH3(7)<=>O(16)+CH3O(27) 7.500000e+12 0.000 28.297 + +! Reaction index: Chemkin #345; RMG #179 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), H(5); CH3O(27), CH2O(12); +! Reaction library: 'NOx2018' +CH3O(27)(+M)<=>H(5)+CH2O(12)(+M) 1.100e+10 1.210 24.069 +CH4(20)/2.00/ CO2(9)/2.00/ H2O(17)/6.00/ H2(6)/2.00/ He(15)/0.67/ O2(2)/1.00/ CO(8)/1.50/ Ar(14)/0.85/ + LOW/ 6.000e+16 -0.547 18.012 / + TROE/ 3.410e-01 28 1e+03 2.34e+03 / + +! Reaction index: Chemkin #346; RMG #180 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CH2O(12); H(5), H2(6); +H(5)+CH3O(27)<=>H2(6)+CH2O(12) 7.600000e+08 1.500 -0.519 + +! Reaction index: Chemkin #347; RMG #181 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CH2O(12); O(16), OH(3); +O(16)+CH3O(27)<=>OH(3)+CH2O(12) 3.800000e+12 0.000 0.000 + +! Reaction index: Chemkin #348; RMG #182 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CH2O(12); OH(3), H2O(17); +OH(3)+CH3O(27)<=>H2O(17)+CH2O(12) 1.800000e+13 0.000 0.000 + +! Reaction index: Chemkin #349; RMG #183 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CH2O(12); HO2(4), H2O2(18); +HO2(4)+CH3O(27)<=>H2O2(18)+CH2O(12) 3.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #350; RMG #184 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CH2O(12); O2(2), HO2(4); +O2(2)+CH3O(27)<=>HO2(4)+CH2O(12) 4.800000e-01 3.567 -1.055 + +! Reaction index: Chemkin #351; RMG #185 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CO2(9); CO(8), CH3(7); +CO(8)+CH3O(27)<=>CO2(9)+CH3(7) 9.500000e+25 -4.930 9.080 + +! Reaction index: Chemkin #352; RMG #186 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CH2O(12); CH3(7), CH4(20); +CH3(7)+CH3O(27)<=>CH2O(12)+CH4(20) 2.400000e+13 0.000 0.000 + +! Reaction index: Chemkin #353; RMG #3404 +! Library reaction: FFCM1(-) +! Flux pairs: CH3O(27), CH2OH(26); H(5), H(5); +H(5)+CH3O(27)<=>H(5)+CH2OH(26) 1.290000e+07 1.820 -0.703 + +! Reaction index: Chemkin #354; RMG #4199 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), FA(1); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 6.0 +OCHO(11)+CH3O(27)<=>CH2O(12)+FA(1) 2.160000e+07 2.000 0.000 + +! Reaction index: Chemkin #355; RMG #4201 +! Template reaction: Disproportionation +! Flux pairs: HOCO(10), FA(1); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +HOCO(10)+CH3O(27)<=>CH2O(12)+FA(1) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #356; RMG #4334 +! PDep reaction: PDepNetwork #23 +! Flux pairs: FA(1), OCHO(11); CH2O(12), CH3O(27); +CH2O(12)+FA(1)(+M)<=>OCHO(11)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.448e+01 -7.911e-01 -1.729e-01 1.020e-02 / + CHEB/ 2.972e+01 4.962e-01 1.655e-02 -4.083e-02 / + CHEB/ -3.323e-02 9.387e-02 4.356e-02 -3.961e-03 / + CHEB/ -6.689e-02 -2.574e-02 1.365e-02 9.049e-03 / + CHEB/ -3.987e-02 -2.367e-02 -3.283e-03 4.609e-03 / + CHEB/ -6.848e-03 -1.281e-05 -3.700e-03 -7.161e-04 / + +! Reaction index: Chemkin #357; RMG #4389 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 6.0 +CHO4(989)+CH3O(27)<=>CH2O(12)+CH2O4(1005) 2.160000e+07 2.000 0.000 + +! Reaction index: Chemkin #358; RMG #4390 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 +! Multiplied by reaction path degeneracy 3.0 +CHO4(985)+CH3O(27)<=>CH2O(12)+CH2O4(1005) 1.253070e+08 1.719 0.000 + +! Reaction index: Chemkin #359; RMG #4415 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH2O(12); HCO(13), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +HCO(13)+CH3O(27)<=>CH2O(12)+CH2O(12) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #360; RMG #4508 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 6.0 +CHO3(986)+CH3O(27)<=>CH2O(12)+CH2O3(1000) 2.160000e+07 2.000 0.000 + +! Reaction index: Chemkin #361; RMG #4836 +! PDep reaction: PDepNetwork #113 +! Flux pairs: CH3O(27), CH2OH(26); +CH3O(27)(+M)<=>CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.309e-01 1.252e+00 -1.471e-01 -1.193e-02 / + CHEB/ 7.383e+00 5.752e-01 8.439e-02 -1.935e-03 / + CHEB/ -4.105e-01 1.471e-01 1.803e-02 8.661e-03 / + CHEB/ -1.916e-01 4.207e-02 -1.020e-03 1.989e-05 / + CHEB/ -6.434e-02 1.219e-02 3.233e-04 -1.608e-03 / + CHEB/ -1.331e-02 2.351e-03 1.471e-03 -5.261e-04 / + +! Reaction index: Chemkin #362; RMG #6071 +! PDep reaction: PDepNetwork #204 +! Flux pairs: O(16), CH2OH(26); CH3(7), CH2OH(26); +O(16)+CH3(7)(+M)<=>CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.085e+00 1.507e+00 -8.228e-03 -3.823e-03 / + CHEB/ -3.504e-01 1.359e-02 8.247e-03 3.796e-03 / + CHEB/ -9.801e-02 -5.802e-04 -3.180e-04 -1.146e-04 / + CHEB/ -1.718e-02 -3.859e-04 -2.386e-04 -1.139e-04 / + CHEB/ 8.105e-03 -1.918e-04 -1.189e-04 -5.707e-05 / + CHEB/ 1.379e-02 -9.624e-05 -5.948e-05 -2.840e-05 / + +! Reaction index: Chemkin #363; RMG #4916 +! PDep reaction: PDepNetwork #121 +! Flux pairs: [O]C1(O)OO1(997), O2(2); [O]C1(O)OO1(997), HOCO(10); +[O]C1(O)OO1(997)(+M)<=>O2(2)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.012e+01 1.008e+00 -1.862e-01 -3.256e-02 / + CHEB/ 5.845e-02 5.620e-01 1.810e-01 1.842e-02 / + CHEB/ -1.037e-01 -2.331e-02 1.226e-02 1.253e-02 / + CHEB/ -5.276e-02 -3.570e-02 -1.151e-02 -7.446e-04 / + CHEB/ -1.874e-02 -1.005e-02 -5.611e-03 -1.694e-03 / + CHEB/ -5.838e-03 5.923e-05 -1.124e-03 -7.283e-04 / + +! Reaction index: Chemkin #364; RMG #4915 +! PDep reaction: PDepNetwork #121 +! Flux pairs: [O]C1(O)OO1(997), HO2(4); [O]C1(O)OO1(997), CO2(9); +[O]C1(O)OO1(997)(+M)<=>HO2(4)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.643e+00 1.001e+00 -1.870e-01 -3.194e-02 / + CHEB/ -1.135e-01 5.703e-01 1.824e-01 1.814e-02 / + CHEB/ -9.260e-02 -2.064e-02 1.318e-02 1.264e-02 / + CHEB/ -3.676e-02 -3.702e-02 -1.168e-02 -6.634e-04 / + CHEB/ -5.709e-03 -1.119e-02 -5.965e-03 -1.720e-03 / + CHEB/ 3.422e-03 -2.276e-04 -1.303e-03 -7.793e-04 / + +! Reaction index: Chemkin #365; RMG #4908 +! PDep reaction: PDepNetwork #121 +! Flux pairs: [O]C1(O)OO1(997), CHO4(985); +[O]C1(O)OO1(997)(+M)<=>CHO4(985)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.438e+00 2.451e+00 -2.049e-01 -3.147e-02 / + CHEB/ -1.106e+00 5.934e-01 1.795e-01 1.280e-02 / + CHEB/ -3.748e-01 1.260e-02 2.270e-02 1.259e-02 / + CHEB/ -8.067e-02 -2.795e-02 -6.411e-03 8.218e-04 / + CHEB/ 1.473e-02 -1.270e-02 -4.895e-03 -8.195e-04 / + CHEB/ 2.656e-02 -2.718e-03 -1.737e-03 -5.020e-04 / + +! Reaction index: Chemkin #366; RMG #4914 +! PDep reaction: PDepNetwork #121 +! Flux pairs: [O]C1(O)OO1(997), O(16); [O]C1(O)OO1(997), CHO3(986); +[O]C1(O)OO1(997)(+M)<=>O(16)+CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.339e+00 1.335e+00 -9.974e-02 -3.570e-02 / + CHEB/ 2.428e+00 2.165e-01 1.123e-01 3.689e-02 / + CHEB/ 2.664e-01 -2.983e-02 -1.163e-02 -5.886e-04 / + CHEB/ 4.678e-02 -1.050e-02 -6.506e-03 -2.932e-03 / + CHEB/ 4.164e-03 -5.905e-04 -6.636e-04 -5.498e-04 / + CHEB/ -1.885e-03 6.953e-04 3.537e-04 9.851e-05 / + +! Reaction index: Chemkin #367; RMG #4913 +! PDep reaction: PDepNetwork #121 +! Flux pairs: [O]C1(O)OO1(997), CHO4(989); +[O]C1(O)OO1(997)(+M)<=>CHO4(989)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.901e+00 2.473e+00 -2.396e-01 -5.883e-02 / + CHEB/ 2.888e-01 6.493e-01 2.470e-01 4.483e-02 / + CHEB/ 1.158e-01 -6.630e-02 -1.040e-03 1.406e-02 / + CHEB/ 3.132e-02 -3.678e-02 -1.669e-02 -3.749e-03 / + CHEB/ 7.519e-03 -3.342e-03 -4.434e-03 -2.457e-03 / + CHEB/ 2.301e-03 2.589e-03 3.144e-04 -4.897e-04 / + +! Reaction index: Chemkin #368; RMG #4907 +! PDep reaction: PDepNetwork #121 +! Flux pairs: [O]C1(O)OO1(997), OH(3); [O]C1(O)OO1(997), CO3(1034); +[O]C1(O)OO1(997)(+M)<=>OH(3)+CO3(1034)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.494e+00 1.219e+00 -1.606e-01 -5.649e-02 / + CHEB/ 3.412e+00 3.530e-01 1.811e-01 5.791e-02 / + CHEB/ 7.273e-01 -4.593e-02 -1.567e-02 1.604e-03 / + CHEB/ 2.425e-01 -9.472e-03 -6.862e-03 -3.601e-03 / + CHEB/ 9.803e-02 -9.346e-04 -1.023e-03 -8.792e-04 / + CHEB/ 3.371e-02 -1.564e-03 -9.248e-04 -4.336e-04 / + +! Reaction index: Chemkin #369; RMG #5660 +! PDep reaction: PDepNetwork #177 +! Flux pairs: CHO3(986), HOCO(10); O-2(1040), O2(2); +O-2(1040)+CHO3(986)(+M)<=>O2(2)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.260e+01 -1.715e-02 -1.049e-02 -4.909e-03 / + CHEB/ 1.549e-01 1.072e-02 6.527e-03 3.023e-03 / + CHEB/ -5.445e-02 1.454e-03 8.955e-04 4.245e-04 / + CHEB/ -2.781e-02 -3.495e-04 -2.106e-04 -9.546e-05 / + CHEB/ -1.259e-02 -3.881e-04 -2.368e-04 -1.102e-04 / + CHEB/ -5.821e-03 -1.223e-04 -7.543e-05 -3.585e-05 / + +! Reaction index: Chemkin #370; RMG #4823 +! PDep reaction: PDepNetwork #26 +! Flux pairs: HOCO(10), O[C]1OO1(1008); O2(2), O(16); +O2(2)+HOCO(10)(+M)<=>O(16)+O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.268e+01 -7.891e-03 -4.846e-03 -2.285e-03 / + CHEB/ 3.488e+01 3.958e-03 2.421e-03 1.133e-03 / + CHEB/ 1.265e-01 7.356e-04 4.528e-04 2.144e-04 / + CHEB/ 2.760e-02 -3.743e-05 -2.208e-05 -9.555e-06 / + CHEB/ 1.064e-02 -1.529e-04 -9.362e-05 -4.384e-05 / + CHEB/ 6.555e-03 -6.031e-05 -3.714e-05 -1.761e-05 / + +! Reaction index: Chemkin #371; RMG #5659 +! PDep reaction: PDepNetwork #177 +! Flux pairs: CHO3(986), CO2(9); O-2(1040), HO2(4); +O-2(1040)+CHO3(986)(+M)<=>HO2(4)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.137e+01 -1.801e-02 -1.099e-02 -5.116e-03 / + CHEB/ 7.971e-02 1.069e-02 6.485e-03 2.983e-03 / + CHEB/ -2.408e-02 1.622e-03 9.897e-04 4.607e-04 / + CHEB/ -1.392e-02 -3.096e-04 -1.844e-04 -8.180e-05 / + CHEB/ -4.315e-03 -3.833e-04 -2.328e-04 -1.074e-04 / + CHEB/ 4.074e-04 -1.171e-04 -7.213e-05 -3.419e-05 / + +! Reaction index: Chemkin #372; RMG #4825 +! PDep reaction: PDepNetwork #31 +! Flux pairs: CO2(9), O[C]1OO1(1008); HO2(4), O(16); +HO2(4)+CO2(9)(+M)<=>O(16)+O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.205e+01 -8.432e-03 -5.177e-03 -2.439e-03 / + CHEB/ 5.009e+01 3.532e-03 2.159e-03 1.009e-03 / + CHEB/ 2.153e-01 6.924e-04 4.249e-04 2.000e-04 / + CHEB/ 5.551e-02 2.834e-06 1.904e-06 1.050e-06 / + CHEB/ 2.059e-02 -1.191e-04 -7.306e-05 -3.435e-05 / + CHEB/ 1.194e-02 -4.149e-05 -2.558e-05 -1.216e-05 / + +! Reaction index: Chemkin #373; RMG #5654 +! PDep reaction: PDepNetwork #177 +! Flux pairs: O-2(1040), CHO4(985); CHO3(986), CHO4(985); +O-2(1040)+CHO3(986)(+M)<=>CHO4(985)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.702e+00 1.503e+00 -1.054e-02 -4.928e-03 / + CHEB/ -4.804e-01 1.070e-02 6.512e-03 3.016e-03 / + CHEB/ -1.134e-01 1.466e-03 9.027e-04 4.278e-04 / + CHEB/ 2.377e-02 -3.425e-04 -2.063e-04 -9.348e-05 / + CHEB/ 4.617e-02 -3.873e-04 -2.363e-04 -1.100e-04 / + CHEB/ 3.213e-02 -1.227e-04 -7.563e-05 -3.593e-05 / + +! Reaction index: Chemkin #374; RMG #4827 +! PDep reaction: PDepNetwork #46 +! Flux pairs: CHO4(985), O(16); CHO4(985), O[C]1OO1(1008); +CHO4(985)(+M)<=>O(16)+O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.767e+01 1.513e+00 -4.846e-03 -2.285e-03 / + CHEB/ 4.549e+01 3.961e-03 2.423e-03 1.133e-03 / + CHEB/ -9.754e-02 7.387e-04 4.547e-04 2.153e-04 / + CHEB/ 3.909e-02 -3.513e-05 -2.066e-05 -8.886e-06 / + CHEB/ 5.801e-02 -1.515e-04 -9.274e-05 -4.343e-05 / + CHEB/ 3.832e-02 -5.948e-05 -3.663e-05 -1.736e-05 / + +! Reaction index: Chemkin #375; RMG #5658 +! PDep reaction: PDepNetwork #177 +! Flux pairs: CHO3(986), CHO3(986); O-2(1040), O(16); +O-2(1040)+CHO3(986)(+M)<=>O(16)+CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.284e+01 -1.678e-02 -1.026e-02 -4.802e-03 / + CHEB/ -7.132e-02 1.094e-02 6.663e-03 3.088e-03 / + CHEB/ 2.353e-02 1.470e-03 9.062e-04 4.302e-04 / + CHEB/ 2.264e-02 -3.411e-04 -2.052e-04 -9.277e-05 / + CHEB/ 9.731e-03 -3.681e-04 -2.246e-04 -1.045e-04 / + CHEB/ 2.825e-03 -1.065e-04 -6.573e-05 -3.130e-05 / + +! Reaction index: Chemkin #376; RMG #4829 +! PDep reaction: PDepNetwork #94 +! Flux pairs: CHO3(986), O[C]1OO1(1008); O(16), O(16); +O(16)+CHO3(986)(+M)<=>O(16)+O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.410e+01 -7.826e-03 -4.806e-03 -2.266e-03 / + CHEB/ 2.944e+01 4.031e-03 2.466e-03 1.154e-03 / + CHEB/ 4.145e-02 7.682e-04 4.729e-04 2.240e-04 / + CHEB/ 1.594e-02 -2.226e-05 -1.271e-05 -5.094e-06 / + CHEB/ 1.191e-02 -1.443e-04 -8.827e-05 -4.131e-05 / + CHEB/ 7.949e-03 -5.509e-05 -3.393e-05 -1.608e-05 / + +! Reaction index: Chemkin #377; RMG #5655 +! PDep reaction: PDepNetwork #177 +! Flux pairs: O-2(1040), CHO4(989); CHO3(986), CHO4(989); +O-2(1040)+CHO3(986)(+M)<=>CHO4(989)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.999e+00 1.458e+00 -3.771e-02 -1.681e-02 / + CHEB/ -1.166e-01 4.815e-02 2.826e-02 1.215e-02 / + CHEB/ -7.252e-02 5.082e-03 3.268e-03 1.664e-03 / + CHEB/ -1.396e-02 -1.088e-03 -5.864e-04 -2.020e-04 / + CHEB/ -7.389e-04 -6.735e-04 -4.113e-04 -1.907e-04 / + CHEB/ 1.937e-03 -2.117e-04 -1.330e-04 -6.533e-05 / + +! Reaction index: Chemkin #378; RMG #4831 +! PDep reaction: PDepNetwork #95 +! Flux pairs: CHO4(989), O(16); CHO4(989), O[C]1OO1(1008); +CHO4(989)(+M)<=>O(16)+O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.395e+01 1.502e+00 -1.123e-02 -5.280e-03 / + CHEB/ 4.214e+01 8.532e-03 5.211e-03 2.429e-03 / + CHEB/ -8.035e-02 2.456e-03 1.506e-03 7.074e-04 / + CHEB/ -2.341e-02 4.490e-04 2.775e-04 1.324e-04 / + CHEB/ -1.593e-03 -3.593e-05 -2.089e-05 -8.746e-06 / + CHEB/ 3.062e-03 -5.483e-05 -3.328e-05 -1.531e-05 / + +! Reaction index: Chemkin #379; RMG #5657 +! PDep reaction: PDepNetwork #177 +! Flux pairs: CHO3(986), CO3(1034); O-2(1040), OH(3); +O-2(1040)+CHO3(986)(+M)<=>OH(3)+CO3(1034)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.008e+01 -5.350e-02 -3.180e-02 -1.405e-02 / + CHEB/ 5.902e-01 5.086e-02 2.993e-02 1.293e-02 / + CHEB/ 2.914e-01 2.465e-03 1.675e-03 9.267e-04 / + CHEB/ 1.385e-01 -3.170e-03 -1.854e-03 -7.890e-04 / + CHEB/ 5.197e-02 -1.424e-03 -8.683e-04 -4.024e-04 / + CHEB/ 1.471e-02 -2.552e-04 -1.607e-04 -7.930e-05 / + +! Reaction index: Chemkin #380; RMG #4833 +! PDep reaction: PDepNetwork #108 +! Flux pairs: CO3(1034), O[C]1OO1(1008); OH(3), O(16); +OH(3)+CO3(1034)(+M)<=>O(16)+O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.678e+01 -1.078e-02 -6.606e-03 -3.099e-03 / + CHEB/ 3.038e+01 6.747e-03 4.117e-03 1.916e-03 / + CHEB/ 2.837e-01 1.156e-03 7.097e-04 3.343e-04 / + CHEB/ 1.138e-01 4.837e-06 5.013e-06 4.271e-06 / + CHEB/ 4.932e-02 -1.791e-04 -1.090e-04 -5.045e-05 / + CHEB/ 2.061e-02 -8.687e-05 -5.316e-05 -2.489e-05 / + +! Reaction index: Chemkin #381; RMG #6070 +! PDep reaction: PDepNetwork #204 +! Flux pairs: O(16), CH3O(27); CH3(7), CH3O(27); +O(16)+CH3(7)(+M)<=>CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.273e+00 1.519e+00 -1.025e-03 -4.703e-04 / + CHEB/ -1.757e-02 1.777e-03 1.070e-03 4.841e-04 / + CHEB/ -2.627e-02 -1.840e-04 -1.042e-04 -4.107e-05 / + CHEB/ 2.226e-02 -5.192e-05 -3.290e-05 -1.640e-05 / + CHEB/ 3.347e-02 -2.083e-05 -1.300e-05 -6.328e-06 / + CHEB/ 2.667e-02 -1.016e-05 -6.269e-06 -2.983e-06 / + +! Reaction index: Chemkin #382; RMG #4897 +! PDep reaction: PDepNetwork #115 +! Flux pairs: C2HO2(1001), CO(8); C2HO2(1001), HCO(13); +C2HO2(1001)(+M)<=>CO(8)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.287e+00 7.890e-01 -1.143e-01 7.518e-03 / + CHEB/ 7.648e+00 5.784e-01 4.337e-02 -1.771e-02 / + CHEB/ -4.797e-01 8.809e-02 4.367e-02 2.138e-03 / + CHEB/ -1.859e-01 9.034e-03 5.132e-03 3.078e-03 / + CHEB/ -4.076e-02 -7.942e-03 -2.679e-03 4.210e-04 / + CHEB/ 2.117e-02 -2.249e-02 9.877e-04 -1.509e-04 / + +! Reaction index: Chemkin #383; RMG #4875 +! PDep reaction: PDepNetwork #115 +! Flux pairs: C2HO2(1001), OCHCO(63); +C2HO2(1001)(+M)<=>OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.554e+00 2.285e+00 -1.173e-01 8.379e-03 / + CHEB/ 7.360e+00 5.616e-01 3.724e-02 -1.801e-02 / + CHEB/ -3.337e-01 8.949e-02 4.263e-02 1.310e-03 / + CHEB/ -1.329e-01 1.228e-02 5.739e-03 2.944e-03 / + CHEB/ -3.887e-02 -6.460e-03 -2.091e-03 5.074e-04 / + CHEB/ 2.755e-02 -2.213e-02 1.474e-03 -1.393e-04 / + +! Reaction index: Chemkin #384; RMG #4804 +! PDep reaction: PDepNetwork #111 +! Flux pairs: O-2(1040), OC1OO1(1047); FA(1), OC1OO1(1047); +O-2(1040)+FA(1)(+M)<=>OC1OO1(1047)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.260e+01 1.713e-01 -3.429e-02 1.497e-03 / + CHEB/ -2.872e-01 3.014e-01 -5.464e-02 2.076e-04 / + CHEB/ -2.199e-01 2.095e-01 -2.704e-02 -3.743e-03 / + CHEB/ -1.400e-01 1.163e-01 -4.806e-03 -4.686e-03 / + CHEB/ -7.705e-02 5.064e-02 5.081e-03 -2.917e-03 / + CHEB/ -3.694e-02 1.526e-02 5.970e-03 -7.250e-04 / + +! Reaction index: Chemkin #385; RMG #4851 +! PDep reaction: PDepNetwork #114 +! Flux pairs: OC1OO1(1047), OH(3); OC1OO1(1047), [CH]1OO1(971); +OC1OO1(1047)(+M)<=>OH(3)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.498e+01 1.153e+00 -1.589e-01 -3.190e-02 / + CHEB/ 3.114e+01 2.133e-01 7.566e-02 2.855e-03 / + CHEB/ -2.576e-01 6.965e-02 3.240e-02 7.280e-03 / + CHEB/ -1.607e-01 1.770e-02 1.090e-02 4.448e-03 / + CHEB/ -7.726e-02 3.579e-04 1.870e-03 1.782e-03 / + CHEB/ -2.906e-02 -3.720e-03 -1.063e-03 3.330e-04 / + +! Reaction index: Chemkin #386; RMG #4852 +! PDep reaction: PDepNetwork #114 +! Flux pairs: OC1OO1(1047), H(5); OC1OO1(1047), O[C]1OO1(1008); +OC1OO1(1047)(+M)<=>H(5)+O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.721e+01 1.220e+00 -1.382e-01 -3.334e-02 / + CHEB/ 3.172e+01 1.953e-01 7.843e-02 9.999e-03 / + CHEB/ -3.188e-01 5.997e-02 3.050e-02 9.013e-03 / + CHEB/ -1.861e-01 1.339e-02 8.920e-03 4.270e-03 / + CHEB/ -9.086e-02 -1.392e-03 6.213e-04 1.258e-03 / + CHEB/ -3.953e-02 -3.953e-03 -1.541e-03 -5.540e-05 / + +! Reaction index: Chemkin #387; RMG #4858 +! PDep reaction: PDepNetwork #93 +! Flux pairs: OCHO(11), CO(8); O(16), HO2(4); +O(16)+OCHO(11)(+M)<=>HO2(4)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.440e+00 -9.549e-03 -5.829e-03 -2.715e-03 / + CHEB/ 7.298e+00 9.152e-03 5.572e-03 2.581e-03 / + CHEB/ 1.106e-01 7.365e-04 4.602e-04 2.242e-04 / + CHEB/ 2.924e-02 -5.703e-04 -3.452e-04 -1.580e-04 / + CHEB/ 1.217e-02 -3.124e-04 -1.917e-04 -9.025e-05 / + CHEB/ 6.038e-03 -8.385e-05 -5.216e-05 -2.521e-05 / + +! Reaction index: Chemkin #388; RMG #4863 +! Template reaction: CO_Disproportionation +! Flux pairs: O[C]1OO1(1008), OC1OO1(1047); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C +HCO(13)+O[C]1OO1(1008)<=>CO(8)+OC1OO1(1047) 1.341650e+13 -0.000 0.000 + +! Reaction index: Chemkin #389; RMG #4869 +! Template reaction: Disproportionation +! Flux pairs: O[C]1OO1(1008), OC1OO1(1047); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+O[C]1OO1(1008)<=>CO2(9)+OC1OO1(1047) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #390; RMG #4871 +! Template reaction: Disproportionation +! Flux pairs: O[C]1OO1(1008), OC1OO1(1047); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+O[C]1OO1(1008)<=>CO2(9)+OC1OO1(1047) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #391; RMG #4872 +! Template reaction: H_Abstraction +! Flux pairs: OCHO(11), FA(1); CH2O3(1000), CHO3(986); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/OneDeC;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OCHO(11)+CH2O3(1000)<=>CHO3(986)+FA(1) 1.398000e-01 3.750 19.545 + +! Reaction index: Chemkin #392; RMG #5221 +! PDep reaction: PDepNetwork #72 +! Flux pairs: C2HO3(991), CO2(9); C2HO3(991), HCO(13); +C2HO3(991)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.019e+01 1.221e+00 -1.634e-01 -6.010e-02 / + CHEB/ 1.679e+01 1.131e-01 5.603e-02 1.580e-02 / + CHEB/ 7.934e-02 -2.204e-02 -9.062e-03 -8.842e-04 / + CHEB/ -1.066e-01 2.452e-02 1.191e-02 3.248e-03 / + CHEB/ -6.583e-02 7.795e-03 4.448e-03 1.780e-03 / + CHEB/ -5.504e-02 1.180e-02 5.728e-03 1.520e-03 / + +! Reaction index: Chemkin #393; RMG #4888 +! PDep reaction: PDepNetwork #45 +! Flux pairs: CO2(9), OCHCO(63); HCO(13), O(16); +CO2(9)+HCO(13)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.019e+01 -3.863e-01 -1.567e-01 -2.497e-02 / + CHEB/ 4.160e+01 2.404e-01 7.896e-02 -6.746e-04 / + CHEB/ -8.301e-02 5.879e-02 2.515e-02 3.538e-03 / + CHEB/ -1.035e-01 1.823e-02 8.213e-03 1.831e-03 / + CHEB/ -7.241e-02 -3.895e-03 3.235e-03 3.738e-03 / + CHEB/ -3.819e-02 -3.513e-03 3.596e-04 1.557e-03 / + +! Reaction index: Chemkin #394; RMG #4903 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); O[C]1OO1(1008), OC1OO1(1047); +! Estimated using template [X_H;C_rad/NDMustO] for rate rule [Orad_O_H;C_rad/O3] +! Euclidian distance = 2.23606797749979 +! family: H_Abstraction +HO2(4)+O[C]1OO1(1008)<=>O2(2)+OC1OO1(1047) 3.724044e-07 5.229 -2.298 + +! Reaction index: Chemkin #395; RMG #5653 +! PDep reaction: PDepNetwork #177 +! Flux pairs: O-2(1040), [O]C1(O)OO1(997); CHO3(986), [O]C1(O)OO1(997); +O-2(1040)+CHO3(986)(+M)<=>[O]C1(O)OO1(997)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.043e+01 1.507e+00 -8.470e-03 -3.951e-03 / + CHEB/ -3.007e-01 8.066e-03 4.894e-03 2.252e-03 / + CHEB/ -1.017e-01 1.417e-03 8.717e-04 4.124e-04 / + CHEB/ -2.342e-02 -6.661e-05 -3.656e-05 -1.319e-05 / + CHEB/ 8.982e-04 -2.434e-04 -1.476e-04 -6.778e-05 / + CHEB/ 2.446e-03 -7.493e-05 -4.616e-05 -2.189e-05 / + +! Reaction index: Chemkin #396; RMG #4906 +! PDep reaction: PDepNetwork #121 +! Flux pairs: [O]C1(O)OO1(997), O(16); [O]C1(O)OO1(997), O[C]1OO1(1008); +[O]C1(O)OO1(997)(+M)<=>O(16)+O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.691e+01 1.513e+00 -4.665e-03 -2.199e-03 / + CHEB/ 3.066e+01 3.931e-03 2.404e-03 1.124e-03 / + CHEB/ -2.786e-02 7.487e-04 4.609e-04 2.182e-04 / + CHEB/ -3.110e-02 -4.480e-06 -1.736e-06 1.345e-07 / + CHEB/ -1.369e-02 -1.244e-04 -7.602e-05 -3.547e-05 / + CHEB/ -5.292e-03 -4.329e-05 -2.664e-05 -1.261e-05 / + +! Reaction index: Chemkin #397; RMG #597 +! Library reaction: CurranPentane +! Flux pairs: O2(2), O2CHO(67); HCO(13), O2CHO(67); +! +! Ea raised from -4.6 to 0 kJ/mol. +O2(2)+HCO(13)<=>O2CHO(67) 1.200000e+11 0.000 0.000 + +! Reaction index: Chemkin #398; RMG #598 +! Library reaction: CurranPentane +! Flux pairs: O2CHO(67), HO2CHO(68); CH2O(12), HCO(13); +O2CHO(67)+CH2O(12)<=>HCO(13)+HO2CHO(68) 1.990000e+12 0.000 11.660 + +! Reaction index: Chemkin #399; RMG #4335 +! PDep reaction: PDepNetwork #23 +! Flux pairs: FA(1), O2CHO(67); CH2O(12), CH3(7); +CH2O(12)+FA(1)(+M)<=>O2CHO(67)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.024e+01 -5.125e-02 -2.988e-02 -1.272e-02 / + CHEB/ 4.171e+01 -5.677e-03 -2.355e-03 -2.203e-04 / + CHEB/ 1.051e-01 2.118e-03 1.670e-03 1.035e-03 / + CHEB/ 2.503e-02 -5.776e-03 -3.077e-03 -1.085e-03 / + CHEB/ 6.742e-03 -4.339e-03 -2.340e-03 -8.462e-04 / + CHEB/ 5.769e-03 -1.175e-04 -3.296e-05 6.981e-06 / + +! Reaction index: Chemkin #400; RMG #4573 +! PDep reaction: PDepNetwork #69 +! Flux pairs: FA(1), O2CHO(67); O2(983), OH(3); +O2(983)+FA(1)(+M)<=>OH(3)+O2CHO(67)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.049e+01 -5.517e-01 -1.310e-01 3.320e-03 / + CHEB/ 1.712e+01 6.195e-01 1.004e-01 -2.612e-02 / + CHEB/ 1.167e-01 -5.762e-03 5.471e-02 1.942e-02 / + CHEB/ 5.269e-02 -6.332e-02 -1.537e-02 8.771e-03 / + CHEB/ 3.657e-02 -1.498e-02 -1.504e-02 -5.027e-03 / + CHEB/ 3.205e-02 4.855e-03 -1.754e-03 -3.801e-03 / + +! Reaction index: Chemkin #401; RMG #4635 +! PDep reaction: PDepNetwork #89 +! Flux pairs: OCHO(11), O2CHO(67); O2(2), O(16); +O2(2)+OCHO(11)(+M)<=>O(16)+O2CHO(67)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.467e+01 -8.363e-03 -5.116e-03 -2.394e-03 / + CHEB/ 2.140e+01 8.584e-03 5.225e-03 2.420e-03 / + CHEB/ 1.935e-01 -4.592e-03 -2.787e-03 -1.283e-03 / + CHEB/ 9.539e-02 6.228e-04 3.643e-04 1.548e-04 / + CHEB/ 2.614e-02 1.065e-04 7.193e-05 3.989e-05 / + CHEB/ 2.043e-02 1.506e-04 9.149e-05 4.226e-05 / + +! Reaction index: Chemkin #402; RMG #6258 +! PDep reaction: PDepNetwork #224 +! Flux pairs: O2CHO(67), CO(8); H(5), H2O2(18); +H(5)+O2CHO(67)(+M)<=>H2O2(18)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.289e+01 -4.633e-01 -1.565e-01 -1.198e-02 / + CHEB/ 8.256e-01 4.139e-01 1.104e-01 -1.029e-02 / + CHEB/ 1.606e-01 7.133e-02 4.618e-02 1.434e-02 / + CHEB/ 3.427e-02 -3.829e-03 5.816e-03 6.828e-03 / + CHEB/ 2.513e-03 -1.871e-02 -5.055e-03 1.268e-03 / + CHEB/ 4.833e-04 -7.130e-03 -4.722e-03 -1.420e-03 / + +! Reaction index: Chemkin #403; RMG #4678 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); O2CHO(67), HO2CHO(68); +! From training reaction 244 used for Orad_O_H;OOC +! Exact match found for rate rule [Orad_O_H;OOC] +! Euclidian distance = 0 +! family: H_Abstraction +! Ea raised from -8.2 to -8.2 kJ/mol. +HO2(4)+O2CHO(67)<=>O2(2)+HO2CHO(68) 1.200000e+11 0.000 -1.950 + +! Reaction index: Chemkin #404; RMG #4680 +! Template reaction: Disproportionation +! Flux pairs: O2CHO(67), HO2CHO(68); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+O2CHO(67)<=>CO2(9)+HO2CHO(68) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #405; RMG #4682 +! Template reaction: Disproportionation +! Flux pairs: O2CHO(67), HO2CHO(68); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+O2CHO(67)<=>CO2(9)+HO2CHO(68) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #406; RMG #6257 +! PDep reaction: PDepNetwork #224 +! Flux pairs: H(5), HO2CHO(68); O2CHO(67), HO2CHO(68); +H(5)+O2CHO(67)(+M)<=>HO2CHO(68)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.223e+01 1.017e+00 -1.672e-01 -1.125e-02 / + CHEB/ -3.324e-01 4.002e-01 9.849e-02 -1.486e-02 / + CHEB/ -2.955e-01 8.994e-02 4.883e-02 1.131e-02 / + CHEB/ -1.645e-01 1.282e-02 1.247e-02 7.257e-03 / + CHEB/ -6.952e-02 -1.203e-02 -6.140e-04 2.894e-03 / + CHEB/ -2.769e-02 -6.714e-03 -3.368e-03 -2.810e-04 / + +! Reaction index: Chemkin #407; RMG #4713 +! Template reaction: Disproportionation +! Flux pairs: O2CHO(67), HO2CHO(68); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2CHO(67)+O[CH]O(970)<=>FA(1)+HO2CHO(68) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #408; RMG #4715 +! Template reaction: Disproportionation +! Flux pairs: O2CHO(67), HO2CHO(68); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2CHO(67)+HOCH2O(38)<=>FA(1)+HO2CHO(68) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #409; RMG #4717 +! Template reaction: CO_Disproportionation +! Flux pairs: O2CHO(67), HO2CHO(68); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_N-4CO->C +HCO(13)+O2CHO(67)<=>CO(8)+HO2CHO(68) 5.120000e+13 0.000 0.000 + +! Reaction index: Chemkin #410; RMG #4857 +! PDep reaction: PDepNetwork #93 +! Flux pairs: O(16), O2CHO(67); OCHO(11), O2CHO(67); +O(16)+OCHO(11)(+M)<=>O2CHO(67)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.230e+01 5.777e-01 -7.589e-02 3.838e-03 / + CHEB/ -6.920e-01 5.658e-01 1.691e-03 -9.972e-03 / + CHEB/ -4.378e-01 1.542e-01 2.761e-02 -4.264e-04 / + CHEB/ -1.820e-01 1.941e-02 9.313e-03 2.097e-03 / + CHEB/ -5.528e-02 -6.044e-03 2.785e-04 5.850e-04 / + CHEB/ -7.190e-03 -5.413e-03 -9.838e-04 -1.176e-04 / + +! Reaction index: Chemkin #411; RMG #4923 +! PDep reaction: PDepNetwork #125 +! Flux pairs: O2CHO(67), HO2(4); O2CHO(67), CO(8); +O2CHO(67)(+M)<=>HO2(4)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.908e+01 1.510e+00 -6.790e-03 -3.159e-03 / + CHEB/ 2.368e+01 9.104e-03 5.534e-03 2.556e-03 / + CHEB/ -2.636e-01 1.154e-03 7.132e-04 3.405e-04 / + CHEB/ -9.247e-02 -4.265e-04 -2.561e-04 -1.153e-04 / + CHEB/ -9.900e-03 -3.496e-04 -2.135e-04 -9.952e-05 / + CHEB/ 1.289e-02 -1.543e-04 -9.495e-05 -4.496e-05 / + +! Reaction index: Chemkin #412; RMG #441 +! Library reaction: NOx2018 +! Flux pairs: CH3CO(47), CO(8); CH3CO(47), CH3(7); +! Reaction library: 'NOx2018' +CH3CO(47)<=>CO(8)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 6.900e+14 -1.970 14.585 / + PLOG/ 0.025000 2.400e+15 -2.000 14.805 / + PLOG/ 0.100000 2.000e+16 -2.090 15.197 / + PLOG/ 1.000000 6.500e+18 -2.520 16.436 / + PLOG/ 10.000000 8.200e+19 -2.550 17.263 / + PLOG/ 100.000000 1.300e+20 -2.320 18.012 / + +! Reaction index: Chemkin #413; RMG #443 +! Library reaction: NOx2018 +H(5)+CH3CO(47)<=>HCO(13)+CH3(7) 2.100000e+13 0.000 0.000 +DUPLICATE +! Reaction index: Chemkin #414; RMG #443 +! Library reaction: NOx2018 +H(5)+CH3CO(47)<=>HCO(13)+CH3(7) -1.200000e+23 -2.473 19.927 +DUPLICATE + + +! Reaction index: Chemkin #415; RMG #444 +! Library reaction: NOx2018 +! Flux pairs: CH3CO(47), CO(8); H(5), H(5); H(5), CH3(7); +H(5)+CH3CO(47)<=>H(5)+CO(8)+CH3(7) 1.200000e+23 -2.473 19.927 + +! Reaction index: Chemkin #416; RMG #446 +! Library reaction: NOx2018 +! Flux pairs: CH3CO(47), CO2(9); O(16), CH3(7); +O(16)+CH3CO(47)<=>CO2(9)+CH3(7) 1.600000e+14 0.000 0.000 + +! Reaction index: Chemkin #417; RMG #451 +! Library reaction: NOx2018 +! Flux pairs: CH3CO(47), CH2O(12); O2(2), OH(3); O2(2), CO(8); +O2(2)+CH3CO(47)<=>OH(3)+CO(8)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.100000 5.100e+22 -3.524 3.255 / + PLOG/ 1.000000 4.900e+23 -3.712 5.895 / + PLOG/ 10.000000 4.800e+22 -3.303 8.598 / + +! Reaction index: Chemkin #418; RMG #3422 +! Library reaction: FFCM1(-) +! Flux pairs: CH3CO(47), CO(8); OH(3), OH(3); OH(3), CH3(7); +OH(3)+CH3CO(47)<=>OH(3)+CO(8)+CH3(7) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #419; RMG #3423 +! Library reaction: FFCM1(-) +! Flux pairs: CH3CO(47), CO2(9); HO2(4), OH(3); HO2(4), CH3(7); +HO2(4)+CH3CO(47)<=>OH(3)+CO2(9)+CH3(7) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #420; RMG #4936 +! Template reaction: H_Abstraction +! Flux pairs: HO2CHO(68), O2CHO(67); H(5), H2(6); +! From training reaction 203 used for O/H/NonDeO;H_rad +! Exact match found for rate rule [O/H/NonDeO;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+HO2CHO(68)<=>H2(6)+O2CHO(67) 5.400000e+10 0.000 1.860 + +! Reaction index: Chemkin #421; RMG #4937 +! Template reaction: H_Abstraction +! Flux pairs: HO2CHO(68), O2CHO(67); OH(3), H2O(17); +! From training reaction 206 used for O/H/NonDeO;O_pri_rad +! Exact match found for rate rule [O/H/NonDeO;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +! Ea raised from -1.8 to -1.8 kJ/mol. +OH(3)+HO2CHO(68)<=>H2O(17)+O2CHO(67) 1.100000e+12 0.000 -0.437 + +! Reaction index: Chemkin #422; RMG #100 +! Library reaction: NOx2018 +! Flux pairs: OH(3), CH3OH(25); CH3(7), CH3OH(25); +! Reaction library: 'NOx2018' +OH(3)+CH3(7)<=>CH3OH(25) 1.000e+00 0.000 0.000 + PLOG/ 0.001316 6.900e+30 -6.638 2.829 / + PLOG/ 0.013158 1.100e+32 -6.637 3.364 / + PLOG/ 0.131579 1.500e+32 -6.361 3.954 / + PLOG/ 1.315790 5.600e+30 -5.648 4.214 / + PLOG/ 13.157900 1.400e+27 -4.333 3.685 / + PLOG/ 131.579000 1.300e+22 -2.664 2.451 / + +! Reaction index: Chemkin #423; RMG #152 +! Library reaction: NOx2018 +! Flux pairs: H(5), CH3OH(25); CH2OH(26), CH3OH(25); +! Reaction library: 'NOx2018' +H(5)+CH2OH(26)(+M)<=>CH3OH(25)(+M) 4.300e+15 -0.790 0.000 + + LOW/ 3.844e+37 -6.210 1.333 / + TROE/ 2.500e-01 210 1.43e+03 1e+30 / + +! Reaction index: Chemkin #424; RMG #153 +! Library reaction: NOx2018 +! Flux pairs: H(5), CH3OH(25); CH3O(27), CH3OH(25); +! Reaction library: 'NOx2018' +H(5)+CH3O(27)(+M)<=>CH3OH(25)(+M) 2.400e+12 0.515 0.050 +CH4(20)/2.00/ CO2(9)/2.00/ H2O(17)/6.00/ H2(6)/2.00/ N2/1.00/ CO(8)/1.50/ + LOW/ 4.660e+41 -7.440 14.080 / + TROE/ 7.000e-01 100 9e+04 1e+04 / + +! Reaction index: Chemkin #425; RMG #154 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH2OH(26); H(5), H2(6); +H(5)+CH3OH(25)<=>H2(6)+CH2OH(26) 6.600000e+04 2.728 4.449 + +! Reaction index: Chemkin #426; RMG #155 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH3O(27); H(5), H2(6); +H(5)+CH3OH(25)<=>H2(6)+CH3O(27) 4.100000e+04 2.658 9.221 + +! Reaction index: Chemkin #427; RMG #156 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH2OH(26); O(16), OH(3); +O(16)+CH3OH(25)<=>OH(3)+CH2OH(26) 2.100000e+13 0.000 5.305 + +! Reaction index: Chemkin #428; RMG #157 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH3O(27); O(16), OH(3); +O(16)+CH3OH(25)<=>OH(3)+CH3O(27) 3.700000e+12 0.000 5.305 + +! Reaction index: Chemkin #429; RMG #158 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH2OH(26); OH(3), H2O(17); +OH(3)+CH3OH(25)<=>H2O(17)+CH2OH(26) 1.500000e+08 1.443 0.113 + +! Reaction index: Chemkin #430; RMG #159 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH3O(27); OH(3), H2O(17); +OH(3)+CH3OH(25)<=>H2O(17)+CH3O(27) 2.700000e+07 1.443 0.113 + +! Reaction index: Chemkin #431; RMG #160 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH2OH(26); HO2(4), H2O2(18); +HO2(4)+CH3OH(25)<=>H2O2(18)+CH2OH(26) 3.500000e-04 4.850 10.346 + +! Reaction index: Chemkin #432; RMG #161 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH3O(27); HO2(4), H2O2(18); +HO2(4)+CH3OH(25)<=>H2O2(18)+CH3O(27) 1.500000e-03 4.610 15.928 + +! Reaction index: Chemkin #433; RMG #162 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH2OH(26); O2(2), HO2(4); +O2(2)+CH3OH(25)<=>HO2(4)+CH2OH(26) 3.600000e+05 2.270 42.760 + +! Reaction index: Chemkin #434; RMG #163 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CH3OH(25); HO2(4), O2(2); +HO2(4)+CH3O(27)<=>O2(2)+CH3OH(25) 1.400000e+11 0.000 0.000 + +! Reaction index: Chemkin #435; RMG #164 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH3O(27); CH3(7), CH4(20); +CH3(7)+CH3OH(25)<=>CH3O(27)+CH4(20) 1.300000e-02 4.161 6.002 + +! Reaction index: Chemkin #436; RMG #165 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), CH2OH(26); CH3(7), CH4(20); +CH3(7)+CH3OH(25)<=>CH2OH(26)+CH4(20) 7.400000e-01 3.781 7.183 + +! Reaction index: Chemkin #437; RMG #173 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), CH3OH(25); HCO(13), CO(8); +HCO(13)+CH2OH(26)<=>CO(8)+CH3OH(25) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #438; RMG #175 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), CH3OH(25); CH2O(12), HCO(13); +CH2O(12)+CH2OH(26)<=>HCO(13)+CH3OH(25) 5.500000e+03 2.810 5.862 + +! Reaction index: Chemkin #439; RMG #176 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), CH3OH(25); CH2O(12), H(5); CH2O(12), CO(8); +CH2O(12)+CH2OH(26)<=>H(5)+CO(8)+CH3OH(25) 3.300000e+13 0.337 25.789 + +! Reaction index: Chemkin #440; RMG #177 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), CH3OH(25); CH2OH(26), CH2O(12); +CH2OH(26)+CH2OH(26)<=>CH2O(12)+CH3OH(25) 4.800000e+12 0.000 0.000 + +! Reaction index: Chemkin #441; RMG #178 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CH3OH(25); CH2OH(26), CH2O(12); +CH2OH(26)+CH3O(27)<=>CH2O(12)+CH3OH(25) 2.400000e+12 0.000 0.000 + +! Reaction index: Chemkin #442; RMG #187 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CH3OH(25); CH2O(12), HCO(13); +CH2O(12)+CH3O(27)<=>HCO(13)+CH3OH(25) 6.600000e+11 0.000 2.285 + +! Reaction index: Chemkin #443; RMG #188 +! Library reaction: NOx2018 +! Flux pairs: CH3O(27), CH3OH(25); CH3O(27), CH2O(12); +CH3O(27)+CH3O(27)<=>CH2O(12)+CH3OH(25) 6.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #444; RMG #613 +! Library reaction: CurranPentane +! Flux pairs: CH3OH(25), CH3OH(25); CH3O(27), CH2OH(26); +CH3O(27)+CH3OH(25)<=>CH2OH(26)+CH3OH(25) 3.000000e+11 0.000 4.074 + +! Reaction index: Chemkin #445; RMG #3375 +! Library reaction: Klippenstein_Glarborg2016 +! Flux pairs: CH3OH(25), CH3O(27); H(5), CH2O(12); CO(8), CH2O(12); +H(5)+CO(8)+CH3OH(25)<=>CH2O(12)+CH3O(27) 2.049000e+06 2.065 27.599 + +! Reaction index: Chemkin #446; RMG #4540 +! PDep reaction: PDepNetwork #24 +! Flux pairs: FA(1), CO2(9); CH2O(12), CH3OH(25); +CH2O(12)+FA(1)(+M)<=>CO2(9)+CH3OH(25)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.574e+01 -1.331e+00 -4.479e-02 5.205e-03 / + CHEB/ 1.946e+01 3.343e-01 -7.269e-02 6.034e-03 / + CHEB/ 5.751e-01 2.332e-01 -3.774e-02 -1.346e-03 / + CHEB/ 9.113e-03 1.244e-01 -5.866e-03 -5.756e-03 / + CHEB/ -1.048e-01 4.381e-02 1.097e-02 -5.449e-03 / + CHEB/ -7.529e-02 1.535e-03 1.318e-02 -2.487e-03 / + +! Reaction index: Chemkin #447; RMG #4747 +! Template reaction: H_Abstraction +! Flux pairs: CH3OH(25), CH2OH(26); OCHO(11), FA(1); +! Estimated using template [C_pri;O_rad/OneDeC] for rate rule [C/H3/O;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +OCHO(11)+CH3OH(25)<=>FA(1)+CH2OH(26) 4.512000e-07 5.770 12.040 + +! Reaction index: Chemkin #448; RMG #4748 +! Template reaction: H_Abstraction +! Flux pairs: CH3OH(25), CH2OH(26); HOCO(10), FA(1); +! Estimated using template [C_pri;CO_rad/NonDe] for rate rule [C/H3/O;CO_rad/NonDe] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +HOCO(10)+CH3OH(25)<=>FA(1)+CH2OH(26) 9.060000e+03 2.750 41.233 + +! Reaction index: Chemkin #449; RMG #4945 +! Template reaction: CO_Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); HCO(13), CO(8); +! Matched reaction 4 HCO + CH3O <=> CO + CH3OH in CO_Disproportionation/training +! This reaction matched rate rule [Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C] +! family: CO_Disproportionation +HCO(13)+CH3O(27)<=>CO(8)+CH3OH(25) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #450; RMG #4947 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +HOCO(10)+CH3O(27)<=>CO2(9)+CH3OH(25) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #451; RMG #4948 +! Template reaction: Disproportionation +! Flux pairs: HOCO(10), CO2(9); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +HOCO(10)+CH2OH(26)<=>CO2(9)+CH3OH(25) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #452; RMG #4949 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+CH3O(27)<=>CO2(9)+CH3OH(25) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #453; RMG #4950 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+CH2OH(26)<=>CO2(9)+CH3OH(25) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #454; RMG #4972 +! PDep reaction: PDepNetwork #137 +! Flux pairs: C2O2(1002), HCO(13); H(5), CO(8); +H(5)+C2O2(1002)(+M)<=>CO(8)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.112e+01 -3.708e-04 -2.018e-04 -8.212e-05 / + CHEB/ 1.245e+00 3.473e-04 1.837e-04 7.330e-05 / + CHEB/ -2.591e-01 -5.879e-05 -3.813e-05 -2.171e-05 / + CHEB/ -1.590e-01 -8.634e-06 1.128e-06 4.381e-06 / + CHEB/ -7.194e-02 1.655e-06 4.241e-07 5.488e-07 / + CHEB/ -2.845e-02 -1.698e-05 -1.006e-05 -4.838e-06 / + +! Reaction index: Chemkin #455; RMG #4965 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), HOCO(10); OH(3), CO(8); +OH(3)+C2O2(1002)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.129e+01 -1.579e-01 -8.278e-02 -2.790e-02 / + CHEB/ -1.982e-01 1.287e-01 6.282e-02 1.741e-02 / + CHEB/ -4.523e-01 -5.772e-03 1.616e-03 4.156e-03 / + CHEB/ -2.234e-01 2.363e-02 1.036e-02 2.012e-03 / + CHEB/ -1.069e-01 -3.735e-03 -5.441e-04 7.993e-04 / + CHEB/ -3.777e-02 5.728e-03 2.035e-03 7.823e-06 / + +! Reaction index: Chemkin #456; RMG #4970 +! PDep reaction: PDepNetwork #137 +! Flux pairs: H(5), OCHCO(63); C2O2(1002), OCHCO(63); +H(5)+C2O2(1002)(+M)<=>OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.790e+00 1.520e+00 -2.025e-04 -8.250e-05 / + CHEB/ 1.021e+00 3.445e-04 1.823e-04 7.286e-05 / + CHEB/ -7.905e-02 -5.849e-05 -3.829e-05 -2.197e-05 / + CHEB/ -8.590e-02 -8.466e-06 1.185e-06 4.353e-06 / + CHEB/ -5.819e-02 1.130e-06 2.181e-07 5.202e-07 / + CHEB/ -1.553e-02 -1.721e-05 -1.020e-05 -4.891e-06 / + +! Reaction index: Chemkin #457; RMG #4964 +! PDep reaction: PDepNetwork #135 +! Flux pairs: OH(3), C2HO3(991); C2O2(1002), C2HO3(991); +OH(3)+C2O2(1002)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.001e+01 1.364e+00 -8.224e-02 -2.771e-02 / + CHEB/ -4.855e-01 1.299e-01 6.349e-02 1.767e-02 / + CHEB/ -4.472e-01 -5.728e-03 1.663e-03 4.192e-03 / + CHEB/ -3.410e-01 2.330e-02 1.019e-02 1.958e-03 / + CHEB/ -1.473e-01 -3.941e-03 -6.566e-04 7.592e-04 / + CHEB/ -7.508e-02 5.660e-03 1.997e-03 -5.695e-06 / + +! Reaction index: Chemkin #458; RMG #5240 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), CO2(9); OH(3), HCO(13); +OH(3)+C2O2(1002)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.491e+00 -4.905e-01 -2.195e-01 -5.149e-02 / + CHEB/ 7.989e-02 3.056e-01 1.198e-01 1.646e-02 / + CHEB/ -4.160e-01 2.342e-02 1.150e-02 3.424e-03 / + CHEB/ -2.383e-01 3.597e-02 1.374e-02 1.112e-03 / + CHEB/ -7.210e-02 -4.726e-03 2.632e-03 3.316e-03 / + CHEB/ -4.833e-02 5.584e-03 3.648e-03 1.449e-03 / + +! Reaction index: Chemkin #459; RMG #4971 +! PDep reaction: PDepNetwork #137 +! Flux pairs: H(5), C2HO2(1001); C2O2(1002), C2HO2(1001); +H(5)+C2O2(1002)(+M)<=>C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.950e+00 1.518e+00 -1.674e-03 -7.805e-04 / + CHEB/ 7.463e-01 2.754e-03 1.664e-03 7.739e-04 / + CHEB/ -2.739e-01 -7.065e-04 -4.354e-04 -2.086e-04 / + CHEB/ -1.645e-01 1.274e-04 8.446e-05 4.348e-05 / + CHEB/ -3.876e-02 4.974e-05 2.982e-05 1.429e-05 / + CHEB/ 4.617e-02 -3.493e-04 -2.145e-04 -1.016e-04 / + +! Reaction index: Chemkin #460; RMG #4957 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +O(16)+OCHCO(63)<=>OH(3)+C2O2(1002) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #461; RMG #4961 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +H(5)+OCHCO(63)<=>H2(6)+C2O2(1002) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #462; RMG #4963 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+OCHCO(63)<=>H2O(17)+C2O2(1002) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #463; RMG #4980 +! Template reaction: H_Abstraction +! Flux pairs: HO2CHO(68), O2CHO(67); OCHO(11), FA(1); +! Estimated using an average for rate rule [O/H/NonDeO;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+HO2CHO(68)<=>O2CHO(67)+FA(1) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #464; RMG #4981 +! Template reaction: H_Abstraction +! Flux pairs: HO2CHO(68), O2CHO(67); HOCO(10), FA(1); +! Estimated using an average for rate rule [O/H/NonDeO;CO_rad/NonDe] +! Euclidian distance = 0 +! family: H_Abstraction +HOCO(10)+HO2CHO(68)<=>O2CHO(67)+FA(1) 1.582731e-04 4.663 41.320 + +! Reaction index: Chemkin #465; RMG #4982 +! Template reaction: H_Abstraction +! Flux pairs: HO2CHO(68), O2CHO(67); HO2(4), H2O2(18); +! From training reaction 208 used for O/H/NonDeO;O_rad/NonDeO +! Exact match found for rate rule [O/H/NonDeO;O_rad/NonDeO] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(4)+HO2CHO(68)<=>H2O2(18)+O2CHO(67) 4.100000e+04 2.500 10.206 + +! Reaction index: Chemkin #466; RMG #4983 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CH3O(27)+O[CH]O(970)<=>FA(1)+CH3OH(25) 4.820000e+13 0.000 0.000 + +! Reaction index: Chemkin #467; RMG #4984 +! Template reaction: Disproportionation +! Flux pairs: O[CH]O(970), FA(1); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+O[CH]O(970)<=>FA(1)+CH3OH(25) 9.640000e+12 0.000 0.000 + +! Reaction index: Chemkin #468; RMG #4985 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3O(27)+HOCH2O(38)<=>FA(1)+CH3OH(25) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #469; RMG #4986 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+HOCH2O(38)<=>FA(1)+CH3OH(25) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #470; RMG #4992 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), CH2O3(1000); O2CHO(67), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O2CHO(67)+O[C](O)O(1021)<=>HO2CHO(68)+CH2O3(1000) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #471; RMG #4994 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); O2CHO(67), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +O2CHO(67)+[O]C(O)O(972)<=>HO2CHO(68)+CH2O3(1000) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #472; RMG #4998 +! Template reaction: H_Abstraction +! Flux pairs: CH3(7), CH4(20); FA(1), OCHO(11); +! From training reaction 693 used for O/H/OneDeC;C_methyl +! Exact match found for rate rule [O/H/OneDeC;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +FA(1)+CH3(7)<=>OCHO(11)+CH4(20) 8.200000e+05 1.870 7.126 + +! Reaction index: Chemkin #473; RMG #4999 +! Template reaction: H_Abstraction +! Flux pairs: CH3(7), CH4(20); FA(1), HOCO(10); +! Estimated using an average for rate rule [CO/H/NonDe;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +FA(1)+CH3(7)<=>HOCO(10)+CH4(20) 3.500000e-08 6.210 1.629 + +! Reaction index: Chemkin #474; RMG #5005 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); CH3O(27), CH3OH(25); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/NonDeC] +! Euclidian distance = 1.0 +! family: H_Abstraction +FA(1)+CH3O(27)<=>HOCO(10)+CH3OH(25) 9.842265e+08 1.062 12.422 + +! Reaction index: Chemkin #475; RMG #5008 +! Template reaction: Disproportionation +! Flux pairs: O2CHO(67), HO2CHO(68); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O2CHO(67)+CH2OH(26)<=>CH2O(12)+HO2CHO(68) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #476; RMG #5010 +! Template reaction: Disproportionation +! Flux pairs: O2CHO(67), HO2CHO(68); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 +! Multiplied by reaction path degeneracy 3.0 +O2CHO(67)+CH3O(27)<=>CH2O(12)+HO2CHO(68) 1.253070e+08 1.719 0.000 + +! Reaction index: Chemkin #477; RMG #5020 +! Template reaction: H_Abstraction +! Flux pairs: CH3OH(25), CH2OH(26); CHO3(986), CH2O3(1000); +! Estimated using template [C_pri;O_rad/OneDeC] for rate rule [C/H3/O;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CHO3(986)+CH3OH(25)<=>CH2O3(1000)+CH2OH(26) 4.512000e-07 5.770 12.040 + +! Reaction index: Chemkin #478; RMG #5021 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+O[C](O)O(1021)<=>CH2O3(1000)+CH3OH(25) 7.230000e+13 0.000 0.000 + +! Reaction index: Chemkin #479; RMG #5022 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), CH2O3(1000); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH2OH(26)+O[C](O)O(1021)<=>CH2O3(1000)+CH3OH(25) 1.446000e+13 0.000 0.000 + +! Reaction index: Chemkin #480; RMG #5023 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +CH3O(27)+[O]C(O)O(972)<=>CH2O3(1000)+CH3OH(25) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #481; RMG #5024 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2OH(26)+[O]C(O)O(972)<=>CH2O3(1000)+CH3OH(25) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #482; RMG #5052 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), CO(8); C2H3O2(1042), CH2OH(26); +C2H3O2(1042)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.190e+00 1.059e+00 -7.984e-02 -5.962e-03 / + CHEB/ 3.262e+00 5.045e-01 6.825e-02 -1.310e-03 / + CHEB/ -3.618e-01 -2.210e-02 1.298e-02 5.530e-03 / + CHEB/ -3.095e-02 -2.612e-02 -5.598e-03 -2.973e-04 / + CHEB/ -1.750e-03 -2.130e-03 -7.218e-04 -2.664e-04 / + CHEB/ -2.034e-02 1.008e-03 6.358e-04 2.741e-04 / + +! Reaction index: Chemkin #483; RMG #5064 +! PDep reaction: PDepNetwork #101 +! Flux pairs: CO2(9), C2H3O2(1042); CH2OH(26), O(16); +CO2(9)+CH2OH(26)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.588e+01 -6.989e-03 -4.284e-03 -2.012e-03 / + CHEB/ 3.870e+01 7.510e-03 4.591e-03 2.144e-03 / + CHEB/ 2.221e-01 -1.360e-03 -8.205e-04 -3.728e-04 / + CHEB/ 3.622e-02 5.789e-05 3.126e-05 1.075e-05 / + CHEB/ -1.555e-02 1.831e-06 1.722e-06 1.356e-06 / + CHEB/ -2.010e-02 -8.989e-07 -5.638e-07 -2.731e-07 / + +! Reaction index: Chemkin #484; RMG #5157 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), CO2(9); C2HO3(1028), HCO(13); +C2HO3(1028)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.849e+00 1.197e+00 -1.454e-01 -4.386e-02 / + CHEB/ -1.449e-01 2.081e-01 6.991e-02 1.447e-02 / + CHEB/ 1.353e-01 6.642e-04 1.027e-02 3.213e-03 / + CHEB/ 8.331e-02 -2.379e-03 9.680e-04 -4.181e-04 / + CHEB/ -7.894e-02 7.106e-04 -4.050e-03 -8.444e-05 / + CHEB/ 1.326e-02 -1.003e-02 -1.559e-03 6.138e-04 / + +! Reaction index: Chemkin #485; RMG #5155 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), CO(8); C2HO3(1028), HOCO(10); +C2HO3(1028)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.665e+00 1.140e+00 -1.917e-01 -5.915e-02 / + CHEB/ 1.009e+01 1.206e-01 6.409e-02 2.204e-02 / + CHEB/ 1.527e+00 3.237e-02 8.306e-03 -2.449e-03 / + CHEB/ 7.259e-02 5.629e-02 1.891e-02 -1.406e-03 / + CHEB/ -2.232e-01 -1.885e-03 2.167e-03 2.220e-03 / + CHEB/ 6.407e-03 -5.704e-03 2.048e-03 3.838e-03 / + +! Reaction index: Chemkin #486; RMG #5156 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), CO(8); C2HO3(1028), OCHO(11); +C2HO3(1028)(+M)<=>CO(8)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.147e+00 1.192e+00 -1.493e-01 -4.517e-02 / + CHEB/ 2.193e-01 1.943e-01 6.550e-02 1.356e-02 / + CHEB/ 3.200e-01 5.514e-03 1.260e-02 4.241e-03 / + CHEB/ 2.043e-01 6.577e-03 5.344e-03 1.260e-03 / + CHEB/ 1.191e-02 5.139e-03 -8.437e-04 1.234e-03 / + CHEB/ 8.363e-02 -6.445e-03 3.753e-04 1.376e-03 / + +! Reaction index: Chemkin #487; RMG #5146 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), C2HO3(990); +C2HO3(1028)(+M)<=>C2HO3(990)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.730e+00 2.707e+00 -1.515e-01 -4.605e-02 / + CHEB/ -5.010e-01 1.902e-01 6.180e-02 1.185e-02 / + CHEB/ 1.016e-02 -1.181e-03 8.963e-03 2.723e-03 / + CHEB/ 3.354e-02 2.502e-04 1.953e-03 -1.551e-04 / + CHEB/ -4.959e-02 6.957e-04 -3.777e-03 -3.112e-05 / + CHEB/ 3.456e-02 -1.053e-02 -1.964e-03 3.912e-04 / + +! Reaction index: Chemkin #488; RMG #5086 +! PDep reaction: PDepNetwork #39 +! Flux pairs: HOCO(10), OCHCO(63); CO(8), O-2(1040); +CO(8)+HOCO(10)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.610e+01 -9.588e-02 -5.482e-02 -2.231e-02 / + CHEB/ 5.197e+01 4.300e-02 2.383e-02 9.014e-03 / + CHEB/ 1.904e-01 2.951e-02 1.634e-02 6.178e-03 / + CHEB/ -1.957e-01 8.919e-03 5.185e-03 2.182e-03 / + CHEB/ -4.683e-02 -2.909e-03 -1.292e-03 -2.005e-04 / + CHEB/ 4.312e-02 -5.827e-03 -3.013e-03 -9.448e-04 / + +! Reaction index: Chemkin #489; RMG #5087 +! PDep reaction: PDepNetwork #39 +! Flux pairs: HOCO(10), C2HO2(1001); CO(8), O(16); +CO(8)+HOCO(10)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.971e+01 -3.084e-01 -1.433e-01 -3.556e-02 / + CHEB/ 3.969e+01 1.893e-01 7.591e-02 9.303e-03 / + CHEB/ 1.700e-01 6.753e-02 3.282e-02 8.579e-03 / + CHEB/ 4.207e-02 1.991e-02 1.090e-02 4.000e-03 / + CHEB/ -7.611e-03 -1.223e-02 -2.598e-03 1.770e-03 / + CHEB/ -9.989e-03 -9.507e-03 -3.410e-03 7.095e-05 / + +! Reaction index: Chemkin #490; RMG #5094 +! PDep reaction: PDepNetwork #44 +! Flux pairs: CO2(9), OCHCO(63); HCO(13), O-2(1040); +CO2(9)+HCO(13)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.170e+01 -9.622e-02 -5.498e-02 -2.234e-02 / + CHEB/ 5.637e+01 4.081e-02 2.256e-02 8.471e-03 / + CHEB/ 9.278e-02 2.860e-02 1.577e-02 5.892e-03 / + CHEB/ -2.429e-01 8.863e-03 5.117e-03 2.121e-03 / + CHEB/ -6.853e-02 -2.714e-03 -1.186e-03 -1.634e-04 / + CHEB/ 3.258e-02 -5.613e-03 -2.885e-03 -8.878e-04 / + +! Reaction index: Chemkin #491; RMG #5095 +! PDep reaction: PDepNetwork #44 +! Flux pairs: CO2(9), C2HO2(1001); HCO(13), O(16); +CO2(9)+HCO(13)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.415e+01 -3.342e-01 -1.487e-01 -3.260e-02 / + CHEB/ 4.383e+01 2.008e-01 7.545e-02 5.820e-03 / + CHEB/ -3.135e-02 6.586e-02 2.992e-02 6.110e-03 / + CHEB/ -5.176e-02 1.928e-02 9.737e-03 2.926e-03 / + CHEB/ -4.447e-02 -1.118e-02 -1.371e-03 2.367e-03 / + CHEB/ -2.374e-02 -7.493e-03 -2.088e-03 6.528e-04 / + +! Reaction index: Chemkin #492; RMG #5099 +! PDep reaction: PDepNetwork #67 +! Flux pairs: OCHO(11), OCHCO(63); CO(8), O-2(1040); +CO(8)+OCHO(11)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.318e+01 -7.560e-03 -4.141e-03 -1.532e-03 / + CHEB/ 4.786e+01 5.581e-03 3.006e-03 1.067e-03 / + CHEB/ 9.371e-02 7.527e-04 3.706e-04 1.018e-04 / + CHEB/ -2.669e-01 3.157e-04 1.688e-04 5.714e-05 / + CHEB/ -8.801e-02 1.099e-04 8.768e-05 5.513e-05 / + CHEB/ 1.485e-02 -2.722e-04 -1.140e-04 -1.167e-05 / + +! Reaction index: Chemkin #493; RMG #5100 +! PDep reaction: PDepNetwork #67 +! Flux pairs: OCHO(11), C2HO2(1001); CO(8), O(16); +CO(8)+OCHO(11)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.568e+01 -2.364e-01 -1.016e-01 -2.001e-02 / + CHEB/ 3.557e+01 2.018e-01 8.049e-02 1.113e-02 / + CHEB/ 6.948e-02 2.714e-02 1.341e-02 3.652e-03 / + CHEB/ -4.601e-02 6.599e-04 5.154e-04 3.247e-04 / + CHEB/ -5.567e-02 -1.045e-02 -2.279e-03 1.132e-03 / + CHEB/ -3.264e-02 -2.095e-03 -4.432e-04 2.903e-04 / + +! Reaction index: Chemkin #494; RMG #5107 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), O-2(1040); C2HO3(990), OCHCO(63); +C2HO3(990)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.345e+01 1.424e+00 -5.526e-02 -2.249e-02 / + CHEB/ 4.940e+01 4.145e-02 2.294e-02 8.639e-03 / + CHEB/ -2.236e-01 2.909e-02 1.607e-02 6.038e-03 / + CHEB/ -3.685e-01 8.967e-03 5.188e-03 2.160e-03 / + CHEB/ -6.986e-02 -2.783e-03 -1.225e-03 -1.793e-04 / + CHEB/ 4.203e-02 -5.694e-03 -2.933e-03 -9.099e-04 / + +! Reaction index: Chemkin #495; RMG #5108 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), O(16); C2HO3(990), C2HO2(1001); +C2HO3(990)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.614e+01 1.173e+00 -1.561e-01 -3.535e-02 / + CHEB/ 3.688e+01 2.042e-01 7.672e-02 5.755e-03 / + CHEB/ -3.318e-01 7.519e-02 3.519e-02 8.113e-03 / + CHEB/ -1.669e-01 2.306e-02 1.213e-02 4.076e-03 / + CHEB/ -4.180e-02 -1.216e-02 -1.780e-03 2.356e-03 / + CHEB/ -1.363e-02 -9.376e-03 -3.102e-03 3.133e-04 / + +! Reaction index: Chemkin #496; RMG #5116 +! Template reaction: Disproportionation +! Flux pairs: O[C]1OO1(1008), OC1OO1(1047); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[C]1OO1(1008)+O[CH]O(970)<=>FA(1)+OC1OO1(1047) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #497; RMG #5118 +! Template reaction: Disproportionation +! Flux pairs: O[C]1OO1(1008), OC1OO1(1047); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +O[C]1OO1(1008)+HOCH2O(38)<=>FA(1)+OC1OO1(1047) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #498; RMG #5119 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), CH2O(12); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS +HCO(13)+O[C]1OO1(1008)<=>CO3(1034)+CH2O(12) 7.381120e+13 -0.000 0.000 + +! Reaction index: Chemkin #499; RMG #5122 +! Template reaction: Disproportionation +! Flux pairs: O[C]1OO1(1008), OC1OO1(1047); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O[C]1OO1(1008)+CH2OH(26)<=>CH2O(12)+OC1OO1(1047) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #500; RMG #5124 +! Template reaction: Disproportionation +! Flux pairs: O[C]1OO1(1008), OC1OO1(1047); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +O[C]1OO1(1008)+CH3O(27)<=>CH2O(12)+OC1OO1(1047) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #501; RMG #5127 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), OC1OO1(1047); O[C]1OO1(1008), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C]1OO1(1008)+O[C](O)O(1021)<=>CH2O3(1000)+OC1OO1(1047) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #502; RMG #5129 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC1OO1(1047); O[C]1OO1(1008), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +O[C]1OO1(1008)+[O]C(O)O(972)<=>CH2O3(1000)+OC1OO1(1047) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #503; RMG #5130 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +O[C]1OO1(1008)+CH3(7)<=>CO3(1034)+CH4(20) 8.490000e+13 0.000 0.000 + +! Reaction index: Chemkin #504; RMG #5132 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +O[C]1OO1(1008)+CH3O(27)<=>CO3(1034)+CH3OH(25) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #505; RMG #5133 +! Template reaction: Disproportionation +! Flux pairs: O[C]1OO1(1008), CO3(1034); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[C]1OO1(1008)+CH2OH(26)<=>CO3(1034)+CH3OH(25) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #506; RMG #5140 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), O-2(1040); C2HO3(1028), OCHCO(63); +C2HO3(1028)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.175e+01 1.517e+00 -2.012e-03 -6.688e-04 / + CHEB/ 3.978e+01 3.038e-03 1.567e-03 4.896e-04 / + CHEB/ 1.375e-01 1.631e-04 5.676e-05 -7.137e-06 / + CHEB/ -2.051e-01 3.532e-04 1.964e-04 7.425e-05 / + CHEB/ -1.500e-01 2.012e-04 1.294e-04 6.384e-05 / + CHEB/ 4.439e-02 -1.821e-04 -7.761e-05 -9.410e-06 / + +! Reaction index: Chemkin #507; RMG #5141 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), O(16); C2HO3(1028), C2HO2(1001); +C2HO3(1028)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.478e+01 1.365e+00 -5.511e-02 -1.126e-03 / + CHEB/ 2.725e+01 1.300e-01 4.048e-02 -4.098e-03 / + CHEB/ 1.105e-02 2.352e-02 1.014e-02 1.392e-03 / + CHEB/ -6.892e-03 4.857e-03 2.644e-03 9.531e-04 / + CHEB/ -1.176e-01 -9.763e-03 -1.605e-03 1.578e-03 / + CHEB/ -7.631e-03 -9.380e-04 2.587e-04 5.928e-04 / + +! Reaction index: Chemkin #508; RMG #5153 +! PDep reaction: PDepNetwork #53 +! Flux pairs: CH2O(12), HOCH2O(38); HO2(4), O(16); +HO2(4)+CH2O(12)(+M)<=>O(16)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.361e+00 -1.395e-01 -7.245e-02 -2.393e-02 / + CHEB/ 1.439e+01 1.577e-01 7.802e-02 2.246e-02 / + CHEB/ 2.629e-01 -1.393e-02 -2.841e-03 2.596e-03 / + CHEB/ 8.097e-02 -1.233e-02 -7.159e-03 -2.790e-03 / + CHEB/ 2.017e-02 -2.370e-03 -1.794e-03 -1.108e-03 / + CHEB/ 3.422e-03 1.603e-03 7.377e-04 1.268e-04 / + +! Reaction index: Chemkin #509; RMG #91 +! Library reaction: NOx2018 +! Flux pairs: CH4(20), CH3(7); CH2(S)(22), CH3(7); +CH2(S)(22)+CH4(20)<=>CH3(7)+CH3(7) 4.300000e+13 0.000 0.000 + +! Reaction index: Chemkin #510; RMG #96 +! Library reaction: NOx2018 +! Flux pairs: CH2(S)(22), CH3(7); H2(6), H(5); +H2(6)+CH2(S)(22)<=>H(5)+CH3(7) 7.200000e+13 0.000 0.000 + +! Reaction index: Chemkin #511; RMG #101 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CH2(S)(22); OH(3), H2O(17); +OH(3)+CH3(7)<=>H2O(17)+CH2(S)(22) 1.000e+00 0.000 0.000 + PLOG/ 0.001316 1.100e+14 -0.458 -0.496 / + PLOG/ 0.013158 2.200e+14 -0.538 -0.220 / + PLOG/ 0.131579 1.200e+15 -0.727 0.600 / + PLOG/ 1.315790 4.300e+15 -0.860 1.888 / + PLOG/ 13.157900 4.400e+14 -0.539 2.932 / + PLOG/ 131.579000 6.100e+10 0.596 2.923 / + +! Reaction index: Chemkin #512; RMG #129 +! Library reaction: NOx2018 +! Flux pairs: CO2(9), CH2O(12); CH2(S)(22), CO(8); +CO2(9)+CH2(S)(22)<=>CO(8)+CH2O(12) 1.100000e+13 0.000 0.000 + +! Reaction index: Chemkin #513; RMG #151 +! Library reaction: NOx2018 +! Flux pairs: CH3OH(25), H2O(17); CH3OH(25), CH2(S)(22); +! Reaction library: 'NOx2018' +CH3OH(25)(+M)<=>H2O(17)+CH2(S)(22)(+M) 3.100e+18 -1.017 91.712 + + LOW/ 3.250e+47 -8.345 99.596 / + TROE/ 9.922e-01 4.73e+04 943 4.71e+04 / + +! Reaction index: Chemkin #514; RMG #619 +! Library reaction: CurranPentane +! Flux pairs: CH2(S)(22), CO(8); O(16), H2(6); +O(16)+CH2(S)(22)<=>H2(6)+CO(8) 1.500000e+13 0.000 0.000 + +! Reaction index: Chemkin #515; RMG #620 +! Library reaction: CurranPentane +! Flux pairs: CH2(S)(22), HCO(13); O(16), H(5); +O(16)+CH2(S)(22)<=>H(5)+HCO(13) 1.500000e+13 0.000 0.000 + +! Reaction index: Chemkin #516; RMG #621 +! Library reaction: CurranPentane +! Flux pairs: CH2(S)(22), CH2O(12); OH(3), H(5); +OH(3)+CH2(S)(22)<=>H(5)+CH2O(12) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #517; RMG #622 +! Library reaction: CurranPentane +! Flux pairs: CH2(S)(22), CO(8); O2(2), H(5); O2(2), OH(3); +O2(2)+CH2(S)(22)=>H(5)+OH(3)+CO(8) 2.800000e+13 0.000 0.000 + +! Reaction index: Chemkin #518; RMG #623 +! Library reaction: CurranPentane +! Flux pairs: CH2(S)(22), CO(8); O2(2), H2O(17); +O2(2)+CH2(S)(22)<=>H2O(17)+CO(8) 1.200000e+13 0.000 0.000 + +! Reaction index: Chemkin #519; RMG #3372 +! Library reaction: Klippenstein_Glarborg2016 +! Flux pairs: CH2(S)(22), CO(8); O(16), H(5); O(16), H(5); +O(16)+CH2(S)(22)<=>H(5)+H(5)+CO(8) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #520; RMG #3373 +! Library reaction: Klippenstein_Glarborg2016 +! Flux pairs: CH3OH(25), CH2OH(26); CH2(S)(22), CH3(7); +CH2(S)(22)+CH3OH(25)<=>CH3(7)+CH2OH(26) 3.540000e-04 4.190 3.600 + +! Reaction index: Chemkin #521; RMG #3374 +! Library reaction: Klippenstein_Glarborg2016 +! Flux pairs: CH3OH(25), CH3O(27); CH2(S)(22), CH3(7); +CH2(S)(22)+CH3OH(25)<=>CH3(7)+CH3O(27) 1.360000e-04 4.260 5.626 + +! Reaction index: Chemkin #522; RMG #3399 +! Library reaction: FFCM1(-) +! Flux pairs: CH2(S)(22), CH2O(12); H2O(17), H2(6); +H2O(17)+CH2(S)(22)<=>H2(6)+CH2O(12) 6.670000e+21 -3.134 3.300 + +! Reaction index: Chemkin #523; RMG #3400 +! Library reaction: FFCM1(-) +! Flux pairs: CH2(S)(22), CH3O(27); H2O2(18), OH(3); +H2O2(18)+CH2(S)(22)<=>OH(3)+CH3O(27) 1.290000e+14 -0.138 0.000 + +! Reaction index: Chemkin #524; RMG #3402 +! Library reaction: FFCM1(-) +! Flux pairs: CH2O(12), HCO(13); CH2(S)(22), CH3(7); +CH2(S)(22)+CH2O(12)<=>HCO(13)+CH3(7) 1.330000e+13 0.000 -0.550 + +! Reaction index: Chemkin #525; RMG #3405 +! Library reaction: FFCM1(-) +! Flux pairs: CH3O(27), CH2(S)(22); H(5), H2O(17); +H(5)+CH3O(27)<=>H2O(17)+CH2(S)(22) 1.970000e+11 0.414 0.243 + +! Reaction index: Chemkin #526; RMG #3406 +! Library reaction: FFCM1(-) +! Flux pairs: CH2OH(26), CH2(S)(22); H(5), H2O(17); +H(5)+CH2OH(26)<=>H2O(17)+CH2(S)(22) 1.280000e+11 0.516 0.215 + +! Reaction index: Chemkin #527; RMG #4333 +! PDep reaction: PDepNetwork #23 +! Flux pairs: FA(1), HO2CHO(68); CH2O(12), CH2(S)(22); +CH2O(12)+FA(1)(+M)<=>CH2(S)(22)+HO2CHO(68)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.094e+01 -6.300e-03 -3.828e-03 -1.768e-03 / + CHEB/ 4.957e+01 -6.244e-03 -3.745e-03 -1.685e-03 / + CHEB/ 2.150e-01 -3.857e-03 -2.290e-03 -1.009e-03 / + CHEB/ 6.217e-02 -2.921e-03 -1.732e-03 -7.612e-04 / + CHEB/ 1.632e-02 -1.828e-03 -1.077e-03 -4.677e-04 / + CHEB/ 5.923e-03 -7.885e-04 -4.544e-04 -1.880e-04 / + +! Reaction index: Chemkin #528; RMG #5373 +! PDep reaction: PDepNetwork #152 +! Flux pairs: H2(6), CH4(20); CH2(S)(22), CH4(20); +H2(6)+CH2(S)(22)(+M)<=>CH4(20)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.806e+00 1.480e+00 -2.409e-02 -1.063e-02 / + CHEB/ -3.222e-01 2.380e-02 1.395e-02 5.979e-03 / + CHEB/ -1.768e-01 4.375e-03 2.657e-03 1.223e-03 / + CHEB/ -9.136e-02 1.264e-03 7.662e-04 3.522e-04 / + CHEB/ -4.367e-02 2.174e-04 1.365e-04 6.698e-05 / + CHEB/ -2.047e-02 -1.497e-04 -7.955e-05 -2.658e-05 / + +! Reaction index: Chemkin #529; RMG #5043 +! PDep reaction: PDepNetwork #140 +! Flux pairs: CH2O(12), CH3O(27); CH3(7), CH2(S)(22); +CH2O(12)+CH3(7)(+M)<=>CH2(S)(22)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.749e+01 -1.601e-03 -9.873e-04 -4.693e-04 / + CHEB/ 3.187e+01 1.275e-03 7.859e-04 3.730e-04 / + CHEB/ 6.654e-02 -3.665e-04 -2.256e-04 -1.069e-04 / + CHEB/ 4.462e-02 -1.719e-04 -1.061e-04 -5.059e-05 / + CHEB/ 1.672e-02 -4.004e-05 -2.473e-05 -1.179e-05 / + CHEB/ 5.571e-03 5.853e-06 3.620e-06 1.731e-06 / + +! Reaction index: Chemkin #530; RMG #6300 +! PDep reaction: PDepNetwork #233 +! Flux pairs: O[C](O)O(1021), CH2O3(1000); O(16), OH(3); +O(16)+O[C](O)O(1021)(+M)<=>OH(3)+CH2O3(1000)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.224e+01 -2.505e-01 -1.212e-01 -3.385e-02 / + CHEB/ 5.975e-01 1.894e-01 7.731e-02 1.032e-02 / + CHEB/ 9.976e-02 -1.287e-02 2.153e-03 6.382e-03 / + CHEB/ 3.596e-02 2.138e-03 8.006e-04 5.509e-04 / + CHEB/ 1.949e-02 1.259e-02 6.110e-03 1.620e-03 / + CHEB/ 1.036e-02 1.050e-02 5.657e-03 1.953e-03 / + +! Reaction index: Chemkin #531; RMG #90 +! Library reaction: NOx2018 +! Flux pairs: CH4(20), CH3(7); CH2(21), CH3(7); +CH2(21)+CH4(20)<=>CH3(7)+CH3(7) 4.300000e+13 0.000 0.000 + +! Reaction index: Chemkin #532; RMG #94 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), H(5); CH3(7), CH2(21); +CH3(7)+M<=>H(5)+CH2(21)+M 2.200e+15 0.000 82.659 + + +! Reaction index: Chemkin #533; RMG #95 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CH2(21); H(5), H2(6); +H(5)+CH3(7)<=>H2(6)+CH2(21) 1.200000e+06 2.430 11.941 + +! Reaction index: Chemkin #534; RMG #99 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), CH2(21); OH(3), H2O(17); +OH(3)+CH3(7)<=>H2O(17)+CH2(21) 4.300000e+04 2.568 3.997 + +! Reaction index: Chemkin #535; RMG #122 +! Library reaction: NOx2018 +O(16)+CH2(21)<=>H(5)+H(5)+CO(8) 1.200000e+14 0.000 0.536 +DUPLICATE +! Reaction index: Chemkin #536; RMG #122 +! Library reaction: NOx2018 +O(16)+CH2(21)<=>H(5)+H(5)+CO(8) 3.000000e+13 0.000 0.000 +DUPLICATE + + +! Reaction index: Chemkin #537; RMG #123 +! Library reaction: NOx2018 +! Flux pairs: CH2(21), CO(8); O(16), H2(6); +O(16)+CH2(21)<=>H2(6)+CO(8) 8.000000e+13 0.000 0.536 + +! Reaction index: Chemkin #538; RMG #124 +! Library reaction: NOx2018 +OH(3)+CH2(21)<=>H(5)+CH2O(12) 2.800000e+13 0.123 -0.161 +DUPLICATE +! Reaction index: Chemkin #539; RMG #124 +! Library reaction: NOx2018 +OH(3)+CH2(21)<=>H(5)+CH2O(12) 3.000000e+13 0.000 0.000 +DUPLICATE + + +! Reaction index: Chemkin #540; RMG #126 +! Library reaction: NOx2018 +! Flux pairs: CH2(21), CO2(9); O2(2), H(5); O2(2), H(5); +O2(2)+CH2(21)<=>H(5)+H(5)+CO2(9) 2.100000e+09 0.993 -0.269 + +! Reaction index: Chemkin #541; RMG #127 +! Library reaction: NOx2018 +! Flux pairs: CH2(21), CH2O(12); O2(2), O(16); +O2(2)+CH2(21)<=>O(16)+CH2O(12) 2.200000e+09 1.080 1.196 + +! Reaction index: Chemkin #542; RMG #128 +! Library reaction: NOx2018 +! Flux pairs: CO2(9), CH2O(12); CH2(21), CO(8); +CO2(9)+CH2(21)<=>CO(8)+CH2O(12) 1.000000e+11 0.000 1.000 + +! Reaction index: Chemkin #543; RMG #135 +! Library reaction: NOx2018 +! Flux pairs: CH2(S)(22), CH2(21); H(5), H(5); +H(5)+CH2(S)(22)<=>H(5)+CH2(21) 2.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #544; RMG #136 +! Library reaction: NOx2018 +! Flux pairs: CH2(S)(22), CH2(21); O2(2), O2(2); +O2(2)+CH2(S)(22)<=>O2(2)+CH2(21) 3.100000e+13 0.000 0.000 + +! Reaction index: Chemkin #545; RMG #137 +! Library reaction: NOx2018 +! Flux pairs: CH2(S)(22), CH2(21); H2O(17), H2O(17); +H2O(17)+CH2(S)(22)<=>H2O(17)+CH2(21) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #546; RMG #617 +! Library reaction: CurranPentane +! Flux pairs: CH2(S)(22), CH2(21); N2, N2; +N2+CH2(S)(22)<=>N2+CH2(21) 1.500000e+13 0.000 0.600 + +! Reaction index: Chemkin #547; RMG #624 +! Library reaction: CurranPentane +! Flux pairs: CO(8), CO(8); CH2(S)(22), CH2(21); +CO(8)+CH2(S)(22)<=>CO(8)+CH2(21) 9.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #548; RMG #625 +! Library reaction: CurranPentane +! Flux pairs: CO2(9), CO2(9); CH2(S)(22), CH2(21); +CO2(9)+CH2(S)(22)<=>CO2(9)+CH2(21) 7.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #549; RMG #626 +! Library reaction: CurranPentane +! Flux pairs: CH2(21), HCO(13); O2(2), OH(3); +O2(2)+CH2(21)<=>OH(3)+HCO(13) 1.060000e+13 0.000 1.500 + +! Reaction index: Chemkin #550; RMG #3393 +! Library reaction: FFCM1(-) +! Flux pairs: CH2(21), CH2O(12); HO2(4), OH(3); +HO2(4)+CH2(21)<=>OH(3)+CH2O(12) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #551; RMG #3394 +! Library reaction: FFCM1(-) +! Flux pairs: CH2(21), CO(8); O2(2), H(5); O2(2), OH(3); +O2(2)+CH2(21)<=>H(5)+OH(3)+CO(8) 2.643000e+12 0.000 1.000 + +! Reaction index: Chemkin #552; RMG #3395 +! Library reaction: FFCM1(-) +! Flux pairs: CH2(21), CO2(9); O2(2), H2(6); +O2(2)+CH2(21)<=>H2(6)+CO2(9) 1.836000e+12 0.000 1.000 + +! Reaction index: Chemkin #553; RMG #3396 +! Library reaction: FFCM1(-) +! Flux pairs: CH2(21), CO(8); O2(2), H2O(17); +O2(2)+CH2(21)<=>H2O(17)+CO(8) 5.200000e+11 0.000 1.000 + +! Reaction index: Chemkin #554; RMG #3401 +! Library reaction: FFCM1(-) +! Flux pairs: CH2O(12), HCO(13); CH2(21), CH3(7); +CH2(21)+CH2O(12)<=>HCO(13)+CH3(7) 7.400000e-02 4.210 1.120 + +! Reaction index: Chemkin #555; RMG #3409 +! Library reaction: FFCM1(-) +! Flux pairs: CH3OH(25), CH2OH(26); CH2(21), CH3(7); +CH2(21)+CH3OH(25)<=>CH3(7)+CH2OH(26) 3.200000e+01 3.200 7.175 + +! Reaction index: Chemkin #556; RMG #3410 +! Library reaction: FFCM1(-) +! Flux pairs: CH3OH(25), CH3O(27); CH2(21), CH3(7); +CH2(21)+CH3OH(25)<=>CH3(7)+CH3O(27) 1.450000e+01 3.100 6.940 + +! Reaction index: Chemkin #557; RMG #4404 +! Template reaction: Disproportionation +! Flux pairs: CH2(21), CH3(7); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +HOCO(10)+CH2(21)<=>CO2(9)+CH3(7) 1.210000e+12 0.000 0.000 + +! Reaction index: Chemkin #558; RMG #4405 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); CH2(21), CH3(7); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+CH2(21)<=>CO2(9)+CH3(7) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #559; RMG #4474 +! Template reaction: CO_Disproportionation +! Flux pairs: CH2(21), CH3(7); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_4CO->C +HCO(13)+CH2(21)<=>CO(8)+CH3(7) 4.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #560; RMG #6066 +! PDep reaction: PDepNetwork #203 +! Flux pairs: OH(3), CH2OH(26); CH2(21), CH2OH(26); +OH(3)+CH2(21)(+M)<=>CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.906e+00 1.511e+00 -6.080e-03 -2.842e-03 / + CHEB/ -2.147e-01 9.687e-03 5.902e-03 2.738e-03 / + CHEB/ -7.870e-02 -3.892e-04 -2.188e-04 -8.437e-05 / + CHEB/ -1.723e-02 -2.442e-04 -1.509e-04 -7.192e-05 / + CHEB/ 7.163e-03 -1.314e-04 -8.133e-05 -3.891e-05 / + CHEB/ 1.371e-02 -7.683e-05 -4.742e-05 -2.258e-05 / + +! Reaction index: Chemkin #561; RMG #6067 +! PDep reaction: PDepNetwork #203 +! Flux pairs: OH(3), CH3O(27); CH2(21), CH3O(27); +OH(3)+CH2(21)(+M)<=>CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.014e+00 1.510e+00 -6.302e-03 -2.948e-03 / + CHEB/ -2.280e-02 1.000e-02 6.095e-03 2.830e-03 / + CHEB/ -7.097e-03 -3.653e-04 -2.040e-04 -7.728e-05 / + CHEB/ 3.415e-02 -2.618e-04 -1.618e-04 -7.709e-05 / + CHEB/ 3.908e-02 -1.434e-04 -8.873e-05 -4.245e-05 / + CHEB/ 2.907e-02 -8.180e-05 -5.050e-05 -2.405e-05 / + +! Reaction index: Chemkin #562; RMG #4996 +! Template reaction: Disproportionation +! Flux pairs: CH2(21), CH3(7); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +CH2(21)+O[CH]O(970)<=>FA(1)+CH3(7) 2.420000e+12 0.000 0.000 + +! Reaction index: Chemkin #563; RMG #4997 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); CH2(21), CH3(7); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH2(21)+HOCH2O(38)<=>FA(1)+CH3(7) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #564; RMG #5002 +! Template reaction: Disproportionation +! Flux pairs: CH2(21), CH3(7); CH2OH(26), CH2O(12); +! Matched reaction 55 CH2 + CH3O <=> CH3 + CH2O in Disproportionation/training +! This reaction matched rate rule [Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C] +! family: Disproportionation +CH2(21)+CH2OH(26)<=>CH2O(12)+CH3(7) 1.210000e+12 0.000 0.000 + +! Reaction index: Chemkin #565; RMG #5003 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH2O(12); CH2(21), CH3(7); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH2(21)+CH3O(27)<=>CH2O(12)+CH3(7) 1.500000e+09 1.500 0.000 + +! Reaction index: Chemkin #566; RMG #5176 +! PDep reaction: PDepNetwork #148 +! Flux pairs: CH3O4(1023), OH(3); CH3O4(1023), CH2O3(1000); +CH3O4(1023)(+M)<=>OH(3)+CH2O3(1000)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.544e+00 2.193e-01 -5.101e-02 1.896e-03 / + CHEB/ 5.120e+00 3.811e-01 -8.065e-02 -3.716e-04 / + CHEB/ 2.470e-01 2.531e-01 -3.675e-02 -7.093e-03 / + CHEB/ -6.556e-03 1.326e-01 -2.689e-03 -8.920e-03 / + CHEB/ -4.614e-02 5.958e-02 9.933e-03 -5.877e-03 / + CHEB/ -3.498e-02 2.778e-02 9.135e-03 -2.211e-03 / + +! Reaction index: Chemkin #567; RMG #5174 +! Template reaction: H_Abstraction +! Flux pairs: CH2O3(1000), CHO3(986); CHO4(989), CH2O4(1005); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/OneDeC;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO4(989)+CH2O3(1000)<=>CHO3(986)+CH2O4(1005) 1.398000e-01 3.750 19.545 + +! Reaction index: Chemkin #568; RMG #6299 +! PDep reaction: PDepNetwork #233 +! Flux pairs: O(16), CH3O4(1023); O[C](O)O(1021), CH3O4(1023); +O(16)+O[C](O)O(1021)(+M)<=>CH3O4(1023)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.109e+01 1.267e+00 -1.228e-01 -3.427e-02 / + CHEB/ 1.006e-02 1.863e-01 7.553e-02 9.613e-03 / + CHEB/ 4.739e-02 -1.376e-02 1.609e-03 6.121e-03 / + CHEB/ -6.024e-03 2.224e-03 8.056e-04 5.114e-04 / + CHEB/ -4.752e-02 1.310e-02 6.323e-03 1.645e-03 / + CHEB/ -5.182e-02 1.110e-02 5.926e-03 1.999e-03 / + +! Reaction index: Chemkin #569; RMG #5173 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)(O)O(1071), CH3O4(1023); OH(3), H2O(17); +! From training reaction 196 used for O/H/NonDeC;O_pri_rad +! Exact match found for rate rule [O/H/NonDeC;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OH(3)+OC(O)(O)O(1071)<=>H2O(17)+CH3O4(1023) 1.080000e+08 1.443 0.113 + +! Reaction index: Chemkin #570; RMG #5180 +! Template reaction: CO_Disproportionation +! Flux pairs: CH3O4(1023), OC(O)(O)O(1071); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+CH3O4(1023)<=>CO(8)+OC(O)(O)O(1071) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #571; RMG #5181 +! Template reaction: Disproportionation +! Flux pairs: CH3O4(1023), OC(O)(O)O(1071); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+CH3O4(1023)<=>CO2(9)+OC(O)(O)O(1071) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #572; RMG #5182 +! Template reaction: Disproportionation +! Flux pairs: CH3O4(1023), OC(O)(O)O(1071); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+CH3O4(1023)<=>CO2(9)+OC(O)(O)O(1071) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #573; RMG #5570 +! PDep reaction: PDepNetwork #166 +! Flux pairs: OH(3), OC(O)(O)O(1071); O[C](O)O(1021), OC(O)(O)O(1071); +OH(3)+O[C](O)O(1021)(+M)<=>OC(O)(O)O(1071)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.361e+01 2.177e-01 -2.792e-02 7.444e-04 / + CHEB/ -5.032e-01 3.822e-01 -4.233e-02 -4.759e-04 / + CHEB/ -3.833e-01 2.592e-01 -1.498e-02 -3.273e-03 / + CHEB/ -2.489e-01 1.348e-01 5.094e-03 -3.271e-03 / + CHEB/ -1.410e-01 5.127e-02 1.049e-02 -1.104e-03 / + CHEB/ -7.122e-02 1.114e-02 7.020e-03 6.845e-04 / + +! Reaction index: Chemkin #574; RMG #7464 +! PDep reaction: PDepNetwork #291 +! Flux pairs: H(5), OC(O)(O)O(1071); CH3O4(1023), OC(O)(O)O(1071); +H(5)+CH3O4(1023)(+M)<=>OC(O)(O)O(1071)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.280e+01 4.112e-01 -5.895e-02 5.169e-03 / + CHEB/ -7.628e-01 6.153e-01 -4.982e-02 -5.655e-03 / + CHEB/ -5.476e-01 2.962e-01 1.874e-02 -1.049e-02 / + CHEB/ -3.070e-01 9.182e-02 3.011e-02 -2.520e-03 / + CHEB/ -1.510e-01 1.000e-02 1.558e-02 2.591e-03 / + CHEB/ -6.611e-02 -1.008e-02 3.707e-03 2.282e-03 / + +! Reaction index: Chemkin #575; RMG #5323 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), CO(8); C2HO3(993), HOCO(10); +C2HO3(993)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.329e+00 1.139e+00 -1.996e-01 -6.707e-02 / + CHEB/ 1.326e+01 7.871e-02 3.935e-02 1.121e-02 / + CHEB/ 1.217e+00 1.929e-04 -5.642e-04 -1.324e-04 / + CHEB/ 1.678e-01 6.124e-02 2.582e-02 4.209e-03 / + CHEB/ -9.501e-02 2.754e-02 1.272e-02 2.830e-03 / + CHEB/ -8.140e-02 8.233e-03 5.464e-03 2.265e-03 / + +! Reaction index: Chemkin #576; RMG #5269 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), C2HO3(991); +C2HO3(993)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.108e+00 2.701e+00 -1.814e-01 -6.365e-02 / + CHEB/ 1.255e+01 1.401e-01 6.770e-02 1.779e-02 / + CHEB/ 9.284e-01 1.220e-02 8.879e-03 4.941e-03 / + CHEB/ -6.923e-02 4.180e-02 2.121e-02 6.555e-03 / + CHEB/ -1.659e-01 1.134e-02 6.473e-03 2.639e-03 / + CHEB/ -1.338e-01 9.610e-03 4.529e-03 1.118e-03 / + +! Reaction index: Chemkin #577; RMG #5265 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), CO2(9); C2HO3(993), HCO(13); +C2HO3(993)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.041e+01 1.477e+00 -2.596e-02 -1.130e-02 / + CHEB/ -3.499e-01 -2.080e-03 -8.479e-04 -5.166e-05 / + CHEB/ -7.336e-02 -1.506e-02 -8.354e-03 -3.184e-03 / + CHEB/ -2.300e-02 -4.348e-03 -2.371e-03 -8.703e-04 / + CHEB/ -7.617e-03 -2.392e-03 -1.220e-03 -3.720e-04 / + CHEB/ -4.547e-03 -7.162e-04 -3.520e-04 -9.337e-05 / + +! Reaction index: Chemkin #578; RMG #4967 +! PDep reaction: PDepNetwork #135 +! Flux pairs: OH(3), C2HO3(993); C2O2(1002), C2HO3(993); +OH(3)+C2O2(1002)(+M)<=>C2HO3(993)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.447e+00 1.203e+00 -1.618e-01 -5.281e-02 / + CHEB/ -3.780e-01 2.430e-01 1.149e-01 3.066e-02 / + CHEB/ -5.159e-01 1.329e-03 6.655e-03 6.832e-03 / + CHEB/ -2.673e-01 2.318e-02 9.640e-03 1.619e-03 / + CHEB/ -7.963e-02 -3.671e-03 -5.733e-05 1.001e-03 / + CHEB/ -4.809e-02 5.543e-03 1.962e-03 4.203e-06 / + +! Reaction index: Chemkin #579; RMG #5263 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), CO(8); C2HO3(993), OCHO(11); +C2HO3(993)(+M)<=>CO(8)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.046e-01 1.122e+00 -2.047e-01 -6.600e-02 / + CHEB/ 6.401e+00 1.876e-01 8.934e-02 2.347e-02 / + CHEB/ 3.431e-01 5.363e-02 2.835e-02 9.664e-03 / + CHEB/ 1.941e-01 4.140e-02 2.103e-02 6.673e-03 / + CHEB/ 1.177e-01 1.263e-02 9.736e-03 5.592e-03 / + CHEB/ 8.426e-02 8.521e-03 5.782e-03 2.954e-03 / + +! Reaction index: Chemkin #580; RMG #5321 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), C2HO3(990); +C2HO3(993)(+M)<=>C2HO3(990)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.017e+00 2.626e+00 -2.149e-01 -7.036e-02 / + CHEB/ 5.615e+00 1.537e-01 6.961e-02 1.512e-02 / + CHEB/ -3.609e-02 2.362e-02 1.089e-02 2.301e-03 / + CHEB/ -4.097e-02 1.746e-02 7.123e-03 8.388e-04 / + CHEB/ 4.575e-03 -4.638e-03 -2.078e-04 1.502e-03 / + CHEB/ -1.429e-03 -2.618e-03 -4.873e-04 5.028e-04 / + +! Reaction index: Chemkin #581; RMG #5145 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), C2HO3(993); +C2HO3(1028)(+M)<=>C2HO3(993)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.792e+00 2.907e+00 -7.604e-02 -3.034e-02 / + CHEB/ 7.581e-01 5.444e-02 2.962e-02 1.077e-02 / + CHEB/ 1.364e-01 -1.286e-02 -6.249e-03 -1.640e-03 / + CHEB/ 8.124e-02 -4.417e-03 -2.594e-03 -1.108e-03 / + CHEB/ -7.270e-02 3.191e-03 1.909e-03 8.469e-04 / + CHEB/ 7.322e-03 2.064e-03 1.132e-03 4.201e-04 / + +! Reaction index: Chemkin #582; RMG #5209 +! PDep reaction: PDepNetwork #39 +! Flux pairs: HOCO(10), OCHCO(63); CO(8), O(16); +CO(8)+HOCO(10)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.637e+01 -3.475e-01 -1.539e-01 -3.396e-02 / + CHEB/ 3.743e+01 1.671e-01 5.431e-02 -2.765e-03 / + CHEB/ 2.075e-01 9.226e-02 4.261e-02 9.073e-03 / + CHEB/ 3.443e-02 3.751e-02 2.037e-02 7.414e-03 / + CHEB/ -3.822e-02 -1.732e-02 -3.309e-03 2.728e-03 / + CHEB/ -2.060e-02 -7.205e-03 -2.039e-03 5.418e-04 / + +! Reaction index: Chemkin #583; RMG #5211 +! PDep reaction: PDepNetwork #66 +! Flux pairs: CO(8), C2HO3(991); OCHO(11), C2HO3(991); +CO(8)+OCHO(11)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.788e+01 8.829e-01 -3.106e-01 -8.795e-02 / + CHEB/ 1.747e+01 3.835e-01 1.795e-01 4.528e-02 / + CHEB/ 1.589e+00 1.327e-01 6.545e-02 1.928e-02 / + CHEB/ 1.270e-01 7.170e-02 3.195e-02 6.569e-03 / + CHEB/ -1.334e-01 -2.834e-02 -1.160e-02 -2.107e-03 / + CHEB/ -1.479e-01 -2.581e-02 -1.190e-02 -3.002e-03 / + +! Reaction index: Chemkin #584; RMG #5212 +! PDep reaction: PDepNetwork #66 +! Flux pairs: OCHO(11), OCHCO(63); CO(8), O(16); +CO(8)+OCHO(11)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.160e+01 -1.946e-01 -8.250e-02 -1.807e-02 / + CHEB/ 3.361e+01 1.679e-01 6.417e-02 9.576e-03 / + CHEB/ 1.818e-01 2.364e-02 1.397e-02 5.169e-03 / + CHEB/ -4.691e-03 -1.889e-04 3.430e-04 6.087e-04 / + CHEB/ -3.430e-02 -4.544e-03 -3.180e-04 7.460e-04 / + CHEB/ -1.843e-02 -2.136e-03 -1.104e-03 -2.952e-04 / + +! Reaction index: Chemkin #585; RMG #5238 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), OCHO(11); OH(3), CO(8); +OH(3)+C2O2(1002)(+M)<=>CO(8)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.658e+00 -4.145e-01 -1.825e-01 -4.125e-02 / + CHEB/ 9.913e-01 3.992e-01 1.644e-01 2.813e-02 / + CHEB/ -8.308e-02 -1.656e-02 -8.876e-04 5.337e-03 / + CHEB/ -8.785e-02 1.441e-02 5.144e-03 2.093e-04 / + CHEB/ 9.301e-03 -1.010e-02 -1.310e-03 1.499e-03 / + CHEB/ -6.832e-03 5.012e-03 2.053e-03 1.808e-04 / + +! Reaction index: Chemkin #586; RMG #5249 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), C2HO3(991); +C2HO3(1028)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.731e+00 2.677e+00 -1.911e-01 -6.485e-02 / + CHEB/ 9.007e+00 1.346e-01 6.569e-02 1.790e-02 / + CHEB/ 1.256e+00 1.691e-02 9.757e-03 4.346e-03 / + CHEB/ -1.742e-02 4.804e-02 2.263e-02 5.824e-03 / + CHEB/ -2.794e-01 1.445e-02 7.712e-03 2.662e-03 / + CHEB/ -1.361e-01 9.084e-03 4.623e-03 1.258e-03 / + +! Reaction index: Chemkin #587; RMG #5230 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), C2HO3(991); +C2HO3(990)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.697e+01 2.334e+00 -3.498e-01 -1.035e-01 / + CHEB/ 1.881e+01 2.713e-01 1.160e-01 2.008e-02 / + CHEB/ 9.698e-01 8.047e-02 3.612e-02 7.875e-03 / + CHEB/ -1.633e-01 7.603e-02 3.471e-02 7.934e-03 / + CHEB/ -1.864e-01 2.527e-03 5.726e-03 4.610e-03 / + CHEB/ -1.378e-01 -1.726e-05 1.978e-03 1.833e-03 / + +! Reaction index: Chemkin #588; RMG #5220 +! PDep reaction: PDepNetwork #72 +! Flux pairs: C2HO3(991), O(16); C2HO3(991), OCHCO(63); +C2HO3(991)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.780e+01 1.401e+00 -5.855e-02 -1.857e-02 / + CHEB/ 3.647e+01 9.222e-02 4.202e-02 1.153e-02 / + CHEB/ -4.691e-01 5.052e-03 2.964e-03 1.126e-03 / + CHEB/ -2.908e-01 4.006e-03 1.678e-03 3.863e-04 / + CHEB/ -1.528e-01 -3.285e-05 8.771e-04 6.457e-04 / + CHEB/ -5.747e-02 4.647e-04 2.604e-04 9.691e-05 / + +! Reaction index: Chemkin #589; RMG #5222 +! PDep reaction: PDepNetwork #72 +! Flux pairs: C2HO3(991), O-2(1040); C2HO3(991), OCHCO(63); +C2HO3(991)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.117e+01 1.495e+00 -1.535e-02 -6.748e-03 / + CHEB/ 5.170e+01 2.016e-02 1.181e-02 5.071e-03 / + CHEB/ -2.057e-01 1.066e-03 6.485e-04 3.068e-04 / + CHEB/ -4.429e-01 2.916e-04 1.618e-04 6.201e-05 / + CHEB/ -1.888e-01 9.263e-05 6.044e-05 2.880e-05 / + CHEB/ -1.766e-02 -1.494e-04 -5.352e-05 5.210e-06 / + +! Reaction index: Chemkin #590; RMG #5223 +! PDep reaction: PDepNetwork #72 +! Flux pairs: C2HO3(991), O(16); C2HO3(991), C2HO2(1001); +C2HO3(991)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.257e+01 1.322e+00 -8.648e-02 -1.759e-02 / + CHEB/ 3.883e+01 1.523e-01 6.054e-02 7.984e-03 / + CHEB/ -4.379e-01 2.017e-02 8.355e-03 1.090e-03 / + CHEB/ -2.896e-01 6.028e-03 2.574e-03 4.302e-04 / + CHEB/ -1.673e-01 -7.345e-03 -9.146e-04 1.462e-03 / + CHEB/ -7.089e-02 -1.128e-03 3.330e-04 6.870e-04 / + +! Reaction index: Chemkin #591; RMG #5231 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), O(16); C2HO3(990), OCHCO(63); +C2HO3(990)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.243e+01 9.734e-01 -2.438e-01 -5.645e-02 / + CHEB/ 3.463e+01 3.218e-01 1.200e-01 1.144e-02 / + CHEB/ -4.064e-01 9.287e-02 4.310e-02 9.524e-03 / + CHEB/ -2.418e-01 2.647e-02 1.288e-02 3.679e-03 / + CHEB/ -8.918e-02 -1.235e-02 -5.049e-04 3.105e-03 / + CHEB/ -4.178e-02 -1.183e-02 -3.620e-03 5.717e-04 / + +! Reaction index: Chemkin #592; RMG #5237 +! PDep reaction: PDepNetwork #135 +! Flux pairs: OH(3), C2HO3(990); C2O2(1002), C2HO3(990); +OH(3)+C2O2(1002)(+M)<=>C2HO3(990)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.565e+00 8.000e-01 -3.361e-01 -8.759e-02 / + CHEB/ -2.822e-01 4.236e-01 1.733e-01 2.779e-02 / + CHEB/ -5.618e-01 6.875e-02 3.372e-02 9.444e-03 / + CHEB/ -3.153e-01 4.938e-02 2.069e-02 3.332e-03 / + CHEB/ -6.783e-02 -1.426e-02 -6.357e-04 3.560e-03 / + CHEB/ -4.523e-02 -3.926e-03 -2.119e-04 1.051e-03 / + +! Reaction index: Chemkin #593; RMG #5236 +! PDep reaction: PDepNetwork #135 +! Flux pairs: OH(3), C2HO3(1028); C2O2(1002), C2HO3(1028); +OH(3)+C2O2(1002)(+M)<=>C2HO3(1028)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.273e+00 1.101e+00 -1.908e-01 -4.803e-02 / + CHEB/ -6.240e-02 3.153e-01 1.299e-01 2.305e-02 / + CHEB/ -2.660e-01 9.322e-03 8.569e-03 5.621e-03 / + CHEB/ -1.516e-01 2.649e-02 1.002e-02 8.838e-04 / + CHEB/ -1.365e-01 -1.026e-02 -6.688e-04 2.156e-03 / + CHEB/ -3.237e-02 5.390e-03 2.521e-03 4.706e-04 / + +! Reaction index: Chemkin #594; RMG #5239 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), OCHCO(63); OH(3), O(16); +OH(3)+C2O2(1002)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.335e+00 -1.102e-01 -5.375e-02 -1.701e-02 / + CHEB/ 6.117e+00 9.722e-02 4.485e-02 1.258e-02 / + CHEB/ 1.219e-01 5.424e-03 3.595e-03 1.593e-03 / + CHEB/ 5.324e-02 2.193e-03 1.015e-03 3.456e-04 / + CHEB/ 1.840e-02 -1.560e-03 1.304e-04 4.765e-04 / + CHEB/ 8.189e-03 -3.717e-04 -2.275e-04 -7.081e-05 / + +! Reaction index: Chemkin #595; RMG #5241 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), OCHCO(63); OH(3), O-2(1040); +OH(3)+C2O2(1002)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.226e+01 -2.540e-02 -1.505e-02 -6.623e-03 / + CHEB/ 2.062e+01 2.074e-02 1.216e-02 5.224e-03 / + CHEB/ 1.138e-01 1.097e-03 6.837e-04 3.369e-04 / + CHEB/ -2.223e-01 2.186e-04 1.269e-04 5.376e-05 / + CHEB/ -6.564e-02 6.791e-05 4.311e-05 1.921e-05 / + CHEB/ 3.150e-02 -2.014e-04 -8.612e-05 -1.037e-05 / + +! Reaction index: Chemkin #596; RMG #5242 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), C2HO2(1001); OH(3), O(16); +OH(3)+C2O2(1002)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.527e+00 -1.855e-01 -8.100e-02 -1.674e-02 / + CHEB/ 8.185e+00 1.592e-01 6.479e-02 9.739e-03 / + CHEB/ 2.209e-02 1.827e-02 8.600e-03 1.973e-03 / + CHEB/ -1.044e-02 3.119e-03 1.643e-03 5.600e-04 / + CHEB/ -2.562e-02 -8.614e-03 -1.748e-03 1.166e-03 / + CHEB/ -1.897e-02 -1.451e-03 -8.012e-05 4.288e-04 / + +! Reaction index: Chemkin #597; RMG #5250 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), O(16); C2HO3(1028), OCHCO(63); +C2HO3(1028)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.114e+01 1.196e+00 -1.294e-01 -1.964e-02 / + CHEB/ 2.496e+01 2.430e-01 8.332e-02 3.035e-03 / + CHEB/ -9.468e-02 4.065e-02 1.887e-02 3.910e-03 / + CHEB/ -1.015e-01 8.395e-03 3.803e-03 9.827e-04 / + CHEB/ -1.763e-01 -9.101e-03 -2.578e-05 2.362e-03 / + CHEB/ -4.127e-02 -2.799e-03 -1.946e-04 7.179e-04 / + +! Reaction index: Chemkin #598; RMG #5258 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+OCHCO(63)<=>FA(1)+C2O2(1002) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #599; RMG #5260 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+OCHCO(63)<=>FA(1)+C2O2(1002) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #600; RMG #5262 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+OCHCO(63)<=>CH2O3(1000)+C2O2(1002) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #601; RMG #5264 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), O(16); C2HO3(993), OCHCO(63); +C2HO3(993)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.556e+01 1.318e+00 -8.678e-02 -1.968e-02 / + CHEB/ 2.935e+01 1.534e-01 5.774e-02 8.135e-03 / + CHEB/ -3.423e-01 2.648e-02 1.420e-02 4.542e-03 / + CHEB/ -1.812e-01 4.425e-03 2.211e-03 8.620e-04 / + CHEB/ -9.144e-02 -1.724e-03 1.126e-03 1.139e-03 / + CHEB/ -3.935e-02 -1.477e-03 -5.467e-04 -1.097e-05 / + +! Reaction index: Chemkin #602; RMG #5359 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), CO(8); C2HO3(1015), HOCO(10); +C2HO3(1015)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.182e+00 4.767e-01 -1.453e-01 -2.382e-02 / + CHEB/ 4.986e+00 7.080e-01 1.064e-02 -8.152e-03 / + CHEB/ -3.040e-01 1.480e-01 2.744e-02 -5.056e-03 / + CHEB/ -5.597e-02 1.613e-02 2.204e-02 6.570e-03 / + CHEB/ 1.129e-02 -2.128e-02 1.212e-03 2.412e-03 / + CHEB/ 1.417e-02 3.933e-03 -6.276e-05 5.791e-04 / + +! Reaction index: Chemkin #603; RMG #5342 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), C2HO3(991); +C2HO3(1015)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.602e+00 2.010e+00 -1.446e-01 -2.396e-02 / + CHEB/ 4.744e+00 7.209e-01 1.357e-02 -8.220e-03 / + CHEB/ -2.653e-01 1.488e-01 2.910e-02 -4.683e-03 / + CHEB/ -1.511e-01 1.383e-02 2.218e-02 6.775e-03 / + CHEB/ -2.404e-02 -2.287e-02 9.874e-04 2.412e-03 / + CHEB/ -1.895e-02 3.239e-03 -1.425e-04 5.498e-04 / + +! Reaction index: Chemkin #604; RMG #5364 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), CO2(9); C2HO3(1015), HCO(13); +C2HO3(1015)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.283e+00 7.612e-01 -2.916e-01 -6.919e-02 / + CHEB/ 8.099e+00 6.246e-01 1.600e-01 4.018e-03 / + CHEB/ 3.905e-01 -6.621e-02 1.793e-02 1.575e-02 / + CHEB/ 1.586e-01 -1.399e-02 -4.462e-03 3.742e-03 / + CHEB/ 6.936e-02 -5.108e-03 -2.435e-03 -1.003e-03 / + CHEB/ -8.517e-03 2.704e-02 6.310e-03 -4.876e-04 / + +! Reaction index: Chemkin #605; RMG #4966 +! PDep reaction: PDepNetwork #135 +! Flux pairs: OH(3), C2HO3(1015); C2O2(1002), C2HO3(1015); +OH(3)+C2O2(1002)(+M)<=>C2HO3(1015)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.292e+00 1.357e+00 -8.670e-02 -2.989e-02 / + CHEB/ -5.794e-01 1.374e-01 6.798e-02 1.967e-02 / + CHEB/ -3.355e-01 -9.855e-03 -7.793e-04 3.118e-03 / + CHEB/ -1.102e-01 2.207e-02 9.499e-03 1.687e-03 / + CHEB/ 1.127e-03 -7.055e-03 -2.506e-03 -5.831e-05 / + CHEB/ -2.934e-02 6.244e-03 2.360e-03 1.682e-04 / + +! Reaction index: Chemkin #606; RMG #5363 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), CO(8); C2HO3(1015), OCHO(11); +C2HO3(1015)(+M)<=>CO(8)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.309e+00 5.656e-01 -4.128e-01 -1.028e-01 / + CHEB/ 9.586e+00 7.679e-01 2.694e-01 3.903e-02 / + CHEB/ 8.594e-01 1.067e-02 5.554e-02 3.190e-02 / + CHEB/ 2.893e-01 5.522e-02 1.942e-02 6.119e-03 / + CHEB/ 1.026e-01 1.909e-03 4.162e-03 2.001e-03 / + CHEB/ -2.647e-03 1.857e-02 5.959e-03 9.048e-04 / + +! Reaction index: Chemkin #607; RMG #5357 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), C2HO3(990); +C2HO3(1015)(+M)<=>C2HO3(990)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.785e+00 2.057e+00 -4.297e-01 -1.100e-01 / + CHEB/ 8.856e+00 7.139e-01 2.378e-01 2.566e-02 / + CHEB/ 5.115e-01 -3.199e-02 3.088e-02 2.154e-02 / + CHEB/ 8.751e-02 2.892e-02 4.166e-03 -2.122e-04 / + CHEB/ 3.485e-02 -9.137e-03 -2.084e-03 -4.475e-04 / + CHEB/ -3.501e-02 1.822e-02 6.065e-03 1.194e-03 / + +! Reaction index: Chemkin #608; RMG #5147 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), C2HO3(1015); +C2HO3(1028)(+M)<=>C2HO3(1015)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.101e+00 2.518e+00 -2.589e-01 -7.913e-02 / + CHEB/ 9.709e+00 3.888e-01 1.744e-01 4.210e-02 / + CHEB/ 1.414e+00 -5.105e-02 -6.442e-03 9.557e-03 / + CHEB/ 2.371e-01 6.729e-02 2.345e-02 1.972e-03 / + CHEB/ -1.171e-01 1.260e-02 1.033e-02 4.648e-03 / + CHEB/ -5.348e-02 2.108e-02 9.134e-03 2.240e-03 / + +! Reaction index: Chemkin #609; RMG #5358 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), C2HO3(993); +C2HO3(1015)(+M)<=>C2HO3(993)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.599e+00 2.312e+00 -2.831e-01 -6.853e-02 / + CHEB/ 7.805e+00 6.376e-01 1.731e-01 8.571e-03 / + CHEB/ 3.418e-01 -6.278e-02 2.114e-02 1.808e-02 / + CHEB/ 1.254e-01 -8.832e-03 -2.917e-03 4.178e-03 / + CHEB/ 4.785e-02 -3.839e-03 -1.650e-03 -6.428e-04 / + CHEB/ -2.233e-02 2.532e-02 6.084e-03 -2.801e-04 / + +! Reaction index: Chemkin #610; RMG #5325 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), O-2(1040); C2HO3(993), OCHCO(63); +C2HO3(993)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.855e+01 1.515e+00 -3.283e-03 -1.250e-03 / + CHEB/ 4.402e+01 4.025e-03 2.192e-03 8.008e-04 / + CHEB/ -2.999e-01 5.306e-04 2.630e-04 7.453e-05 / + CHEB/ -4.004e-01 3.643e-04 1.907e-04 6.116e-05 / + CHEB/ -1.350e-01 1.746e-04 1.156e-04 5.903e-05 / + CHEB/ -5.714e-03 -1.289e-04 -4.420e-05 6.507e-06 / + +! Reaction index: Chemkin #611; RMG #5326 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), O(16); C2HO3(993), C2HO2(1001); +C2HO3(993)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.995e+01 1.272e+00 -1.065e-01 -2.089e-02 / + CHEB/ 3.147e+01 1.951e-01 7.633e-02 9.401e-03 / + CHEB/ -3.992e-01 3.058e-02 1.417e-02 3.248e-03 / + CHEB/ -2.053e-01 4.223e-03 1.976e-03 5.223e-04 / + CHEB/ -1.079e-01 -9.235e-03 -1.438e-03 1.473e-03 / + CHEB/ -5.143e-02 -1.991e-03 -1.889e-04 4.768e-04 / + +! Reaction index: Chemkin #612; RMG #5717 +! PDep reaction: PDepNetwork #184 +! Flux pairs: OCHO(11), FA(1); HCO(13), CO(8); +HCO(13)+OCHO(11)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.141e+01 -9.219e-01 -1.233e-01 1.433e-02 / + CHEB/ 9.120e-01 6.459e-01 -1.833e-02 -3.064e-02 / + CHEB/ 1.353e-01 2.179e-01 6.219e-02 -1.667e-02 / + CHEB/ 8.643e-03 3.779e-02 4.088e-02 5.731e-03 / + CHEB/ -2.412e-02 -1.805e-02 1.231e-02 9.572e-03 / + CHEB/ -1.381e-02 -2.047e-02 -3.201e-03 5.112e-03 / + +! Reaction index: Chemkin #613; RMG #6252 +! PDep reaction: PDepNetwork #222 +! Flux pairs: C2HO3(990), FA(1); H(5), CO(8); +H(5)+C2HO3(990)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.154e+01 -7.660e-01 -1.444e-01 1.198e-02 / + CHEB/ -5.560e-01 6.334e-01 3.697e-02 -3.751e-02 / + CHEB/ -2.429e-01 1.460e-01 7.674e-02 -1.264e-03 / + CHEB/ -1.122e-01 2.211e-03 2.687e-02 1.406e-02 / + CHEB/ -6.031e-02 -2.621e-02 -8.145e-04 7.765e-03 / + CHEB/ -2.454e-02 -1.719e-02 -8.243e-03 7.274e-04 / + +! Reaction index: Chemkin #614; RMG #5361 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), O-2(1040); C2HO3(1015), OCHCO(63); +C2HO3(1015)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.816e+01 1.516e+00 -2.566e-03 -9.125e-04 / + CHEB/ 4.287e+01 3.572e-03 1.888e-03 6.347e-04 / + CHEB/ 5.074e-02 3.121e-05 -3.051e-05 -5.312e-05 / + CHEB/ -2.036e-01 3.577e-04 1.938e-04 6.851e-05 / + CHEB/ 1.916e-02 2.359e-04 1.501e-04 7.280e-05 / + CHEB/ 3.128e-02 -1.707e-04 -6.912e-05 -4.273e-06 / + +! Reaction index: Chemkin #615; RMG #5362 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), O(16); C2HO3(1015), C2HO2(1001); +C2HO3(1015)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.078e+01 1.371e+00 -5.921e-02 -6.832e-03 / + CHEB/ 3.034e+01 1.360e-01 5.083e-02 3.584e-03 / + CHEB/ 3.808e-02 5.696e-03 1.270e-03 -1.183e-03 / + CHEB/ -1.719e-02 2.233e-03 1.087e-03 2.735e-04 / + CHEB/ 5.917e-02 -4.838e-03 2.315e-04 1.840e-03 / + CHEB/ -1.498e-02 -3.233e-03 -1.039e-03 7.975e-05 / + +! Reaction index: Chemkin #616; RMG #5365 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), O(16); C2HO3(1015), OCHCO(63); +C2HO3(1015)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.681e+01 1.375e+00 -6.866e-02 -1.993e-02 / + CHEB/ 2.755e+01 8.566e-02 3.882e-02 1.095e-02 / + CHEB/ 9.547e-02 1.923e-02 6.438e-03 -3.845e-04 / + CHEB/ 6.891e-02 1.742e-02 6.763e-03 6.026e-04 / + CHEB/ 1.456e-02 -2.901e-03 7.978e-04 1.317e-03 / + CHEB/ -1.528e-02 -2.991e-03 -3.938e-04 6.754e-04 / + +! Reaction index: Chemkin #617; RMG #4723 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(976), C2HO3(990); OH(3), H2O(17); +! Estimated using an average for rate rule [CO/H/NonDe;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+C2H2O3(976)<=>H2O(17)+C2HO3(990) 5.600000e+12 0.000 -0.709 + +! Reaction index: Chemkin #618; RMG #4931 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(976), C2HO3(990); H(5), H2(6); +! Estimated using an average for rate rule [CO/H/NonDe;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(5)+C2H2O3(976)<=>H2(6)+C2HO3(990) 2.600000e+05 2.580 1.219 + +! Reaction index: Chemkin #619; RMG #5382 +! PDep reaction: PDepNetwork #153 +! Flux pairs: C2H2O3(976), CO(8); C2H2O3(976), FA(1); +C2H2O3(976)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.791e+00 1.322e-01 -2.593e-02 7.828e-04 / + CHEB/ 1.665e+01 2.457e-01 -4.619e-02 7.106e-04 / + CHEB/ 1.022e-01 1.966e-01 -3.190e-02 -1.207e-03 / + CHEB/ -4.773e-02 1.339e-01 -1.528e-02 -2.825e-03 / + CHEB/ -5.483e-02 7.545e-02 -2.232e-03 -3.168e-03 / + CHEB/ -3.472e-02 3.243e-02 4.550e-03 -2.246e-03 / + +! Reaction index: Chemkin #620; RMG #5377 +! Template reaction: CO_Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C_Sp-5O-4C +HCO(13)+C2HO3(990)<=>CO(8)+C2H2O3(976) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #621; RMG #5378 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+C2HO3(990)<=>CO2(9)+C2H2O3(976) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #622; RMG #5379 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2HO3(990)<=>CO2(9)+C2H2O3(976) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #623; RMG #5716 +! PDep reaction: PDepNetwork #184 +! Flux pairs: HCO(13), C2H2O3(976); OCHO(11), C2H2O3(976); +HCO(13)+OCHO(11)(+M)<=>C2H2O3(976)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.179e+01 5.584e-01 -1.297e-01 1.472e-02 / + CHEB/ -5.290e-01 5.984e-01 -3.542e-02 -3.078e-02 / + CHEB/ -3.131e-01 2.109e-01 4.935e-02 -2.031e-02 / + CHEB/ -1.495e-01 4.866e-02 3.727e-02 1.335e-03 / + CHEB/ -5.796e-02 -6.783e-03 1.471e-02 7.308e-03 / + CHEB/ -1.612e-02 -1.471e-02 4.156e-04 5.164e-03 / + +! Reaction index: Chemkin #624; RMG #6251 +! PDep reaction: PDepNetwork #222 +! Flux pairs: H(5), C2H2O3(976); C2HO3(990), C2H2O3(976); +H(5)+C2HO3(990)(+M)<=>C2H2O3(976)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.150e+01 7.275e-01 -1.494e-01 1.201e-02 / + CHEB/ -1.995e+00 6.113e-01 2.468e-02 -3.921e-02 / + CHEB/ -6.730e-01 1.511e-01 7.166e-02 -4.997e-03 / + CHEB/ -2.607e-01 1.324e-02 2.882e-02 1.192e-02 / + CHEB/ -9.307e-02 -1.924e-02 2.958e-03 7.984e-03 / + CHEB/ -2.648e-02 -1.520e-02 -5.843e-03 1.906e-03 / + +! Reaction index: Chemkin #625; RMG #5385 +! Template reaction: Disproportionation +! Flux pairs: CH2(21), CH3(7); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +! Multiplied by reaction path degeneracy 3.0 +CH2(21)+O[C](O)O(1021)<=>CH2O3(1000)+CH3(7) 3.630000e+12 0.000 0.000 + +! Reaction index: Chemkin #626; RMG #5386 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); CH2(21), CH3(7); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2(21)+[O]C(O)O(972)<=>CH2O3(1000)+CH3(7) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #627; RMG #5387 +! Template reaction: H_Abstraction +! Flux pairs: CH3(7), CH4(20); CH2O3(1000), CHO3(986); +! From training reaction 693 used for O/H/OneDeC;C_methyl +! Exact match found for rate rule [O/H/OneDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O3(1000)+CH3(7)<=>CHO3(986)+CH4(20) 1.640000e+06 1.870 6.620 + +! Reaction index: Chemkin #628; RMG #5420 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), CO2(9); C2HO3(1027), HCO(13); +C2HO3(1027)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.397e+00 3.686e-01 -2.032e-01 -3.715e-02 / + CHEB/ 7.780e+00 7.805e-01 4.671e-02 -6.252e-03 / + CHEB/ -5.300e-01 1.920e-01 5.375e-02 4.232e-03 / + CHEB/ -1.720e-01 1.030e-02 1.690e-02 5.491e-03 / + CHEB/ -2.198e-02 -3.481e-02 -6.138e-03 9.208e-04 / + CHEB/ 1.175e-02 -1.292e-02 -6.367e-03 -9.800e-04 / + +! Reaction index: Chemkin #629; RMG #5418 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), CO(8); C2HO3(1027), HOCO(10); +C2HO3(1027)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.296e+01 9.318e-01 -2.817e-01 -7.564e-02 / + CHEB/ 1.874e+01 4.516e-01 2.163e-01 5.851e-02 / + CHEB/ 1.073e+00 -5.790e-02 -4.286e-02 -2.342e-02 / + CHEB/ -1.827e-01 1.873e-02 6.250e-03 3.382e-05 / + CHEB/ 1.194e-02 2.591e-02 2.101e-02 1.167e-02 / + CHEB/ 9.219e-02 -2.543e-03 -2.111e-03 -2.038e-03 / + +! Reaction index: Chemkin #630; RMG #5419 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), CO(8); C2HO3(1027), OCHO(11); +C2HO3(1027)(+M)<=>CO(8)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.321e+00 3.944e-01 -2.044e-01 -3.768e-02 / + CHEB/ 8.049e+00 7.967e-01 5.040e-02 -6.790e-03 / + CHEB/ -4.334e-01 1.848e-01 5.513e-02 4.688e-03 / + CHEB/ -1.267e-01 2.373e-03 1.579e-02 5.506e-03 / + CHEB/ 1.324e-03 -3.879e-02 -7.170e-03 6.750e-04 / + CHEB/ 2.526e-02 -1.423e-02 -6.834e-03 -1.164e-03 / + +! Reaction index: Chemkin #631; RMG #5406 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), C2HO3(990); +C2HO3(1027)(+M)<=>C2HO3(990)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.300e+00 1.909e+00 -2.030e-01 -3.742e-02 / + CHEB/ 7.424e+00 7.968e-01 5.041e-02 -6.369e-03 / + CHEB/ -6.620e-01 1.902e-01 5.538e-02 4.740e-03 / + CHEB/ -2.260e-01 5.768e-03 1.651e-02 5.645e-03 / + CHEB/ 5.673e-03 -3.755e-02 -6.634e-03 8.573e-04 / + CHEB/ 3.370e-02 -1.403e-02 -6.506e-03 -1.012e-03 / + +! Reaction index: Chemkin #632; RMG #5158 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), C2HO3(1027); +C2HO3(1028)(+M)<=>C2HO3(1027)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.183e+00 2.114e+00 -2.316e-01 -4.437e-02 / + CHEB/ 6.033e-01 7.976e-01 9.763e-02 -4.354e-03 / + CHEB/ 2.541e-01 4.533e-02 5.557e-02 1.006e-02 / + CHEB/ 2.152e-01 -5.371e-02 -7.432e-05 4.720e-03 / + CHEB/ 3.728e-02 -3.989e-02 -1.321e-02 -4.711e-04 / + CHEB/ 6.888e-02 -2.721e-03 -6.682e-03 -1.729e-03 / + +! Reaction index: Chemkin #633; RMG #5416 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), C2HO3(991); +C2HO3(1027)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.550e+01 2.292e+00 -3.736e-01 -1.128e-01 / + CHEB/ 1.722e+01 3.321e-01 1.501e-01 3.346e-02 / + CHEB/ 1.070e+00 5.942e-02 2.459e-02 3.720e-03 / + CHEB/ -5.972e-02 8.069e-02 3.654e-02 7.999e-03 / + CHEB/ -1.504e-01 -2.253e-04 4.560e-03 4.431e-03 / + CHEB/ -1.293e-01 1.720e-03 2.918e-03 2.151e-03 / + +! Reaction index: Chemkin #634; RMG #5248 +! PDep reaction: PDepNetwork #135 +! Flux pairs: OH(3), C2HO3(1027); C2O2(1002), C2HO3(1027); +OH(3)+C2O2(1002)(+M)<=>C2HO3(1027)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.398e+00 7.994e-01 -3.366e-01 -8.791e-02 / + CHEB/ -4.018e-01 4.269e-01 1.753e-01 2.867e-02 / + CHEB/ -3.014e-01 6.837e-02 3.349e-02 9.338e-03 / + CHEB/ -1.085e-01 4.899e-02 2.047e-02 3.241e-03 / + CHEB/ 1.403e-02 -1.474e-02 -9.195e-04 3.436e-03 / + CHEB/ -2.179e-02 -3.919e-03 -2.010e-04 1.061e-03 / + +! Reaction index: Chemkin #635; RMG #5332 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), C2HO3(1027); +C2HO3(993)(+M)<=>C2HO3(1027)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.004e+00 2.165e+00 -3.275e-01 -7.686e-02 / + CHEB/ 6.186e+00 6.941e-01 1.691e-01 6.586e-03 / + CHEB/ 2.354e-01 -1.987e-02 3.921e-02 1.731e-02 / + CHEB/ 1.638e-01 -3.086e-02 -8.848e-03 1.854e-03 / + CHEB/ 8.754e-02 -1.685e-02 -9.181e-03 -1.596e-03 / + CHEB/ 3.141e-02 7.497e-03 -2.250e-04 -1.094e-03 / + +! Reaction index: Chemkin #636; RMG #5371 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), C2HO3(1027); +C2HO3(1015)(+M)<=>C2HO3(1027)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.285e+00 2.000e+00 -4.637e-01 -1.230e-01 / + CHEB/ 8.954e+00 7.962e-01 2.855e-01 4.333e-02 / + CHEB/ 7.986e-01 -6.232e-02 1.539e-02 1.729e-02 / + CHEB/ 2.989e-01 3.452e-02 5.119e-03 -1.263e-03 / + CHEB/ 1.090e-01 -1.053e-02 -2.326e-03 -2.608e-04 / + CHEB/ -1.360e-02 2.247e-02 8.508e-03 2.091e-03 / + +! Reaction index: Chemkin #637; RMG #4346 +! Template reaction: intra_OH_migration +! Flux pairs: CHO3(1009), CHO3(986); +! Estimated using template [RnOOH;Y_rad_out] for rate rule [ROOH;Y_rad_out] +! Euclidian distance = 1.0 +! family: intra_OH_migration +CHO3(1009)<=>CHO3(986) 4.729062e+10 0.000 22.631 + +! Reaction index: Chemkin #638; RMG #4356 +! Template reaction: R_Recombination +! Flux pairs: CHO3(1009), CH2O4(1005); OH(3), CH2O4(1005); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R +OH(3)+CHO3(1009)<=>CH2O4(1005) 7.700000e+13 0.000 0.000 + +! Reaction index: Chemkin #639; RMG #4621 +! Template reaction: Birad_R_Recombination +! Flux pairs: CHO3(1009), CHO4(989); O(16), CHO4(989); +! Estimated using template [Y_rad;O_birad] for rate rule [CO_rad/NonDe;O_birad] +! Euclidian distance = 3.0 +! family: Birad_R_Recombination +! Ea raised from -8.3 to 0 kJ/mol. +O(16)+CHO3(1009)<=>CHO4(989) 1.667731e+09 1.126 0.000 + +! Reaction index: Chemkin #640; RMG #4670 +! Template reaction: R_Recombination +! Flux pairs: CHO3(1009), HO2CHO(68); H(5), HO2CHO(68); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_3R!H->O +H(5)+CHO3(1009)<=>HO2CHO(68) 9.102870e+19 -2.744 0.000 + +! Reaction index: Chemkin #641; RMG #4679 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); CHO3(1009), HO2CHO(68); +! Estimated using template [X_H;CO_rad/NonDe] for rate rule [Orad_O_H;CO_rad/NonDe] +! Euclidian distance = 2.0 +! family: H_Abstraction +HO2(4)+CHO3(1009)<=>O2(2)+HO2CHO(68) 2.759401e+04 2.254 36.997 + +! Reaction index: Chemkin #642; RMG #4681 +! Template reaction: Disproportionation +! Flux pairs: CHO3(1009), HO2CHO(68); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+CHO3(1009)<=>CO2(9)+HO2CHO(68) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #643; RMG #4683 +! Template reaction: Disproportionation +! Flux pairs: CHO3(1009), HO2CHO(68); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+CHO3(1009)<=>CO2(9)+HO2CHO(68) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #644; RMG #4714 +! Template reaction: Disproportionation +! Flux pairs: CHO3(1009), HO2CHO(68); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CHO3(1009)+O[CH]O(970)<=>FA(1)+HO2CHO(68) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #645; RMG #4716 +! Template reaction: Disproportionation +! Flux pairs: CHO3(1009), HO2CHO(68); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CHO3(1009)+HOCH2O(38)<=>FA(1)+HO2CHO(68) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #646; RMG #4718 +! Template reaction: CO_Disproportionation +! Flux pairs: CHO3(1009), HO2CHO(68); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C_Sp-5O-4C +HCO(13)+CHO3(1009)<=>CO(8)+HO2CHO(68) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #647; RMG #4856 +! Template reaction: intra_H_migration +! Flux pairs: CHO3(1009), O2CHO(67); +! Estimated using average of templates [R3H_SS;Y_rad_out;O_H_out] + [R3H_SS_O;Y_rad_out;XH_out] for rate rule [R3H_SS_O;CO_rad_out;O_H_out] +! Euclidian distance = 1.4142135623730951 +! family: intra_H_migration +CHO3(1009)<=>O2CHO(67) 4.081326e+04 2.171 32.307 + +! Reaction index: Chemkin #648; RMG #4989 +! Template reaction: H_Abstraction +! Flux pairs: H2O2(18), HO2(4); CHO3(1009), HO2CHO(68); +! Estimated using an average for rate rule [H2O2;CO_rad/NonDe] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H2O2(18)+CHO3(1009)<=>HO2(4)+HO2CHO(68) 8.660000e-06 5.090 39.273 + +! Reaction index: Chemkin #649; RMG #4993 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), CH2O3(1000); CHO3(1009), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +CHO3(1009)+O[C](O)O(1021)<=>HO2CHO(68)+CH2O3(1000) 5.430000e+14 0.000 0.000 + +! Reaction index: Chemkin #650; RMG #4995 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); CHO3(1009), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CHO3(1009)+[O]C(O)O(972)<=>HO2CHO(68)+CH2O3(1000) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #651; RMG #5004 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); CHO3(1009), HO2CHO(68); +! Estimated using template [CO_H;CO_rad/NonDe] for rate rule [CO/H/NonDe;CO_rad/NonDe] +! Euclidian distance = 2.0 +! family: H_Abstraction +CHO3(1009)+FA(1)<=>HOCO(10)+HO2CHO(68) 9.050000e+10 0.000 12.920 + +! Reaction index: Chemkin #652; RMG #5009 +! Template reaction: Disproportionation +! Flux pairs: CHO3(1009), HO2CHO(68); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CHO3(1009)+CH2OH(26)<=>CH2O(12)+HO2CHO(68) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #653; RMG #5011 +! Template reaction: Disproportionation +! Flux pairs: CHO3(1009), HO2CHO(68); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CHO3(1009)+CH3O(27)<=>CH2O(12)+HO2CHO(68) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #654; RMG #5421 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), O-2(1040); C2HO3(1027), OCHCO(63); +C2HO3(1027)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.147e+01 1.424e+00 -5.548e-02 -2.260e-02 / + CHEB/ 4.760e+01 4.212e-02 2.334e-02 8.824e-03 / + CHEB/ -1.179e-01 2.905e-02 1.605e-02 6.028e-03 / + CHEB/ -2.487e-01 8.901e-03 5.152e-03 2.147e-03 / + CHEB/ -1.973e-02 -2.911e-03 -1.302e-03 -2.138e-04 / + CHEB/ 5.274e-02 -5.712e-03 -2.944e-03 -9.142e-04 / + +! Reaction index: Chemkin #655; RMG #5422 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), O(16); C2HO3(1027), C2HO2(1001); +C2HO3(1027)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.429e+01 1.174e+00 -1.561e-01 -3.552e-02 / + CHEB/ 3.509e+01 2.063e-01 7.796e-02 6.270e-03 / + CHEB/ -2.226e-01 7.496e-02 3.520e-02 8.202e-03 / + CHEB/ -4.460e-02 2.265e-02 1.199e-02 4.087e-03 / + CHEB/ 9.418e-03 -1.252e-02 -1.993e-03 2.276e-03 / + CHEB/ -2.654e-03 -9.419e-03 -3.148e-03 2.877e-04 / + +! Reaction index: Chemkin #656; RMG #5423 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), O(16); C2HO3(1027), OCHCO(63); +C2HO3(1027)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.061e+01 9.740e-01 -2.438e-01 -5.663e-02 / + CHEB/ 3.284e+01 3.245e-01 1.215e-01 1.203e-02 / + CHEB/ -3.043e-01 9.276e-02 4.316e-02 9.603e-03 / + CHEB/ -1.243e-01 2.605e-02 1.274e-02 3.682e-03 / + CHEB/ -4.083e-02 -1.281e-02 -7.603e-04 3.016e-03 / + CHEB/ -3.230e-02 -1.192e-02 -3.681e-03 5.462e-04 / + +! Reaction index: Chemkin #657; RMG #6259 +! PDep reaction: PDepNetwork #224 +! Flux pairs: O2CHO(67), HCO(13); H(5), HO2(4); +H(5)+O2CHO(67)(+M)<=>HO2(4)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.220e+01 -4.588e-01 -1.563e-01 -1.271e-02 / + CHEB/ 8.907e-01 4.094e-01 1.098e-01 -1.004e-02 / + CHEB/ 1.427e-01 6.746e-02 4.498e-02 1.442e-02 / + CHEB/ 1.036e-02 -3.842e-03 5.507e-03 6.647e-03 / + CHEB/ -2.748e-02 -1.750e-02 -4.733e-03 1.214e-03 / + CHEB/ -2.307e-03 -6.233e-03 -4.326e-03 -1.355e-03 / + +! Reaction index: Chemkin #658; RMG #5438 +! Template reaction: R_Addition_COm +! Flux pairs: CO(8), CHO3(1009); HO2(4), CHO3(1009); +! From training reaction 9 used for COm;O_rad/NonDe +! Exact match found for rate rule [COm;O_rad/NonDe] +! Euclidian distance = 0 +! family: R_Addition_COm +HO2(4)+CO(8)<=>CHO3(1009) 3.410000e+07 0.000 3.000 + +! Reaction index: Chemkin #659; RMG #5439 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CO2(9), CHO3(1009); OH(3), CHO3(1009); +! Estimated using template [Od_R;YJ] for rate rule [Od_Cdd-O2d;OJ_pri] +! Euclidian distance = 2.8284271247461903 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +! Ea raised from 264.7 to 266.9 kJ/mol to match endothermicity of reaction. +OH(3)+CO2(9)<=>CHO3(1009) 2.339932e+07 2.021 63.793 + +! Reaction index: Chemkin #660; RMG #5441 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+OCHO(11)<=>CO2(9)+FA(1) 1.356420e+10 0.470 0.000 +DUPLICATE + +! Reaction index: Chemkin #661; RMG #5442 +! Template reaction: Disproportionation +! Flux pairs: HOCO(10), CO2(9); OCHO(11), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+OCHO(11)<=>CO2(9)+FA(1) 3.620000e+13 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #662; RMG #5443 +! Template reaction: H_Abstraction +! Flux pairs: HO2CHO(68), CHO3(1009); OH(3), H2O(17); +! Estimated using an average for rate rule [CO/H/NonDe;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+HO2CHO(68)<=>H2O(17)+CHO3(1009) 2.800000e+12 0.000 -0.709 + +! Reaction index: Chemkin #663; RMG #2126 +! Library reaction: CurranPentane +! Flux pairs: O2CCHOOJ(347), CO2(9); O2CCHOOJ(347), HOCO(10); +O2CCHOOJ(347)<=>CO2(9)+HOCO(10) 3.000000e+13 0.000 4.000 + +! Reaction index: Chemkin #664; RMG #7630 +! PDep reaction: PDepNetwork #315 +! Flux pairs: C2HO2(1001), CO2(9); H(5), CH2(S)(22); +H(5)+C2HO2(1001)(+M)<=>CO2(9)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.356e+01 -4.670e-02 -2.741e-02 -1.179e-02 / + CHEB/ 5.372e-02 4.968e-02 2.868e-02 1.191e-02 / + CHEB/ -4.894e-04 -3.096e-03 -1.320e-03 -1.220e-04 / + CHEB/ -3.229e-03 -1.480e-03 -9.316e-04 -4.504e-04 / + CHEB/ -3.170e-03 -6.863e-04 -4.290e-04 -2.097e-04 / + CHEB/ -2.454e-03 -2.703e-04 -1.705e-04 -8.468e-05 / + +! Reaction index: Chemkin #665; RMG #4359 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CH2O4(1005); OO[C](O)O(1010), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+OO[C](O)O(1010)<=>FA(1)+CH2O4(1005) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #666; RMG #4361 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), CH2O4(1005); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+OO[C](O)O(1010)<=>FA(1)+CH2O4(1005) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #667; RMG #4368 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +O(16)+OO[C](O)O(1010)<=>OH(3)+CH2O4(1005) 1.808000e+14 0.000 0.000 + +! Reaction index: Chemkin #668; RMG #4371 +! Template reaction: Disproportionation +! Flux pairs: O2(2), HO2(4); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 +! Multiplied by reaction path degeneracy 4.0 +O2(2)+OO[C](O)O(1010)<=>HO2(4)+CH2O4(1005) 2.288360e+13 0.000 0.000 + +! Reaction index: Chemkin #669; RMG #4375 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(5), OO[C](O)O(1010); CH2O4(1005), OO[C](O)O(1010); +! Estimated using an average for rate rule [Od_CO-NdNd;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(5)+CH2O4(1005)<=>OO[C](O)O(1010) 3.230000e+04 2.980 7.900 + +! Reaction index: Chemkin #670; RMG #4377 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +H(5)+OO[C](O)O(1010)<=>H2(6)+CH2O4(1005) 4.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #671; RMG #4385 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), CH2O4(1005); OO[C](O)O(1010), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+OO[C](O)O(1010)<=>CH2O(12)+CH2O4(1005) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #672; RMG #4391 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +OH(3)+OO[C](O)O(1010)<=>H2O(17)+CH2O4(1005) 4.820000e+13 0.000 0.000 + +! Reaction index: Chemkin #673; RMG #4394 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +HO2(4)+OO[C](O)O(1010)<=>H2O2(18)+CH2O4(1005) 2.420000e+13 0.000 0.000 + +! Reaction index: Chemkin #674; RMG #4396 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO4(989)+OO[C](O)O(1010)<=>CH2O4(1005)+CH2O4(1005) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #675; RMG #4398 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), CH2O4(1005); CHO4(985), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(985)+OO[C](O)O(1010)<=>CH2O4(1005)+CH2O4(1005) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #676; RMG #4518 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), CH2O4(1005); CHO3(986), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+OO[C](O)O(1010)<=>CH2O3(1000)+CH2O4(1005) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #677; RMG #4549 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: OH(3), OO[C](O)O(1010); CH2O3(1000), OO[C](O)O(1010); +! Estimated using template [Od_CO-NdNd;YJ] for rate rule [Od_CO-NdNd;OJ_pri] +! Euclidian distance = 2.0 +! family: R_Addition_MultipleBond +! Ea raised from 269.7 to 272.8 kJ/mol to match endothermicity of reaction. +OH(3)+CH2O3(1000)<=>OO[C](O)O(1010) 3.230000e+04 2.980 65.191 + +! Reaction index: Chemkin #678; RMG #4757 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), CH2O4(1005); O2CHO(67), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2CHO(67)+OO[C](O)O(1010)<=>HO2CHO(68)+CH2O4(1005) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #679; RMG #4758 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), CH2O4(1005); CHO3(1009), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CHO3(1009)+OO[C](O)O(1010)<=>HO2CHO(68)+CH2O4(1005) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #680; RMG #5014 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(7)+OO[C](O)O(1010)<=>CH2O4(1005)+CH4(20) 1.698000e+14 0.000 0.000 + +! Reaction index: Chemkin #681; RMG #5016 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CH3O(27)+OO[C](O)O(1010)<=>CH2O4(1005)+CH3OH(25) 4.820000e+13 0.000 0.000 + +! Reaction index: Chemkin #682; RMG #5017 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), CH2O4(1005); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+OO[C](O)O(1010)<=>CH2O4(1005)+CH3OH(25) 9.640000e+12 0.000 0.000 + +! Reaction index: Chemkin #683; RMG #5160 +! Template reaction: intra_OH_migration +! Flux pairs: OO[C](O)O(1010), CH3O4(1023); +! Estimated using template [RnOOH;C_rad_out_NonDe] for rate rule [ROOH;C_rad_out_NDMustO] +! Euclidian distance = 1.4142135623730951 +! family: intra_OH_migration +OO[C](O)O(1010)<=>CH3O4(1023) 2.042569e+10 0.000 20.600 + +! Reaction index: Chemkin #684; RMG #563 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), CO(8); OCHCHO(52), CH2O(12); +OCHCHO(52)<=>CO(8)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.009869 4.200e+53 -12.500 70.845 / + PLOG/ 0.049350 5.100e+54 -12.600 73.012 / + PLOG/ 0.098690 1.000e+55 -12.600 73.877 / + PLOG/ 0.493500 4.500e+55 -12.600 75.869 / + PLOG/ 0.986900 8.000e+55 -12.600 76.713 / + PLOG/ 4.935000 1.100e+56 -12.200 77.643 / + PLOG/ 9.869000 5.500e+56 -12.600 79.964 / + +! Reaction index: Chemkin #685; RMG #565 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), H2(6); OCHCHO(52), CO(8); OCHCHO(52), CO(8); +OCHCHO(52)<=>H2(6)+CO(8)+CO(8) 1.000e+00 0.000 0.000 + PLOG/ 0.009869 6.000e+51 -12.100 71.854 / + PLOG/ 0.049350 1.400e+54 -12.500 74.751 / + PLOG/ 0.098690 1.800e+55 -12.700 76.137 / + PLOG/ 0.493500 1.300e+57 -13.000 78.972 / + PLOG/ 0.986900 6.100e+57 -13.100 80.147 / + PLOG/ 4.935000 5.800e+57 -12.900 81.871 / + PLOG/ 9.869000 3.400e+59 -13.300 84.294 / + +! Reaction index: Chemkin #686; RMG #566 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), HCO(13); OCHCHO(52), HCO(13); +OCHCHO(52)<=>HCO(13)+HCO(13) 1.000e+00 0.000 0.000 + PLOG/ 0.009869 1.000e+42 -9.700 73.534 / + PLOG/ 0.049350 6.000e+48 -11.100 77.462 / + PLOG/ 0.098690 1.700e+51 -11.600 79.111 / + PLOG/ 0.493500 5.300e+55 -12.500 82.774 / + PLOG/ 0.986900 1.900e+57 -12.800 84.321 / + PLOG/ 4.935000 2.200e+59 -13.100 87.258 / + PLOG/ 9.869000 3.000e+60 -13.300 88.993 / + +! Reaction index: Chemkin #687; RMG #567 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), CH2O(12); H(5), HCO(13); +H(5)+OCHCHO(52)<=>HCO(13)+CH2O(12) 5.400000e+13 0.000 4.300 + +! Reaction index: Chemkin #688; RMG #568 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), CH2O(12); H(5), H(5); H(5), CO(8); +H(5)+OCHCHO(52)<=>H(5)+CO(8)+CH2O(12) 3.200000e+23 -2.473 24.227 + +! Reaction index: Chemkin #689; RMG #569 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), OCHCO(63); O(16), OH(3); +O(16)+OCHCHO(52)<=>OH(3)+OCHCO(63) 4.200000e+11 0.570 2.760 + +! Reaction index: Chemkin #690; RMG #570 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), OCHCO(63); OH(3), H2O(17); +OH(3)+OCHCHO(52)<=>H2O(17)+OCHCO(63) 4.000000e+06 2.000 -1.630 + +! Reaction index: Chemkin #691; RMG #571 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), FA(1); HO2(4), OH(3); HO2(4), CO(8); +HO2(4)+OCHCHO(52)<=>OH(3)+CO(8)+FA(1) 3.300000e-04 3.995 0.300 + +! Reaction index: Chemkin #692; RMG #572 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), OCHCO(63); HO2(4), H2O2(18); +HO2(4)+OCHCHO(52)<=>H2O2(18)+OCHCO(63) 4.100000e+04 2.500 10.206 + +! Reaction index: Chemkin #693; RMG #573 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), OCHCO(63); O2(2), HO2(4); +O2(2)+OCHCHO(52)<=>HO2(4)+OCHCO(63) 2.400000e+05 2.500 36.461 + +! Reaction index: Chemkin #694; RMG #1037 +! Library reaction: CurranPentane +! Flux pairs: OCHCHO(52), HCO(13); OH(3), H2O(17); OH(3), CO(8); +OH(3)+OCHCHO(52)=>H2O(17)+CO(8)+HCO(13) 6.132990e+04 2.650 -4.586 + +! Reaction index: Chemkin #695; RMG #4927 +! Template reaction: H_Abstraction +! Flux pairs: OCHCHO(52), OCHCO(63); H(5), H2(6); +! Estimated using template [CO_sec;H_rad] for rate rule [CO/H/OneDe;H_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(5)+OCHCHO(52)<=>H2(6)+OCHCO(63) 2.600000e+05 2.580 1.219 + +! Reaction index: Chemkin #696; RMG #5458 +! Template reaction: CO_Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Ext-4CO-R +HCO(13)+OCHCO(63)<=>CO(8)+OCHCHO(52) 1.200000e+14 0.000 0.000 + +! Reaction index: Chemkin #697; RMG #5459 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+OCHCO(63)<=>CO2(9)+OCHCHO(52) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #698; RMG #5460 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+OCHCO(63)<=>CO2(9)+OCHCHO(52) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #699; RMG #6493 +! PDep reaction: PDepNetwork #242 +! Flux pairs: H(5), OCHCHO(52); OCHCO(63), OCHCHO(52); +H(5)+OCHCO(63)(+M)<=>OCHCHO(52)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.272e+01 -1.271e-02 -1.656e-02 2.284e-03 / + CHEB/ -4.649e-01 2.074e-01 -7.754e-02 8.316e-03 / + CHEB/ -7.640e-02 3.606e-01 -3.558e-02 -1.202e-02 / + CHEB/ -1.491e-01 2.239e-01 4.088e-02 -1.331e-02 / + CHEB/ -1.379e-01 3.533e-02 4.516e-02 5.288e-03 / + CHEB/ -7.844e-02 -4.212e-02 5.698e-03 1.014e-02 / + +! Reaction index: Chemkin #700; RMG #9166 +! PDep reaction: PDepNetwork #376 +! Flux pairs: O(16), O2CCHOOJ(347); C2HO3(991), O2CCHOOJ(347); +O(16)+C2HO3(991)(+M)<=>O2CCHOOJ(347)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.219e+01 2.014e-01 -3.380e-02 9.430e-04 / + CHEB/ 1.089e-01 3.417e-01 -4.995e-02 -9.822e-04 / + CHEB/ -1.364e-01 2.130e-01 -1.858e-02 -3.978e-03 / + CHEB/ -1.013e-01 9.772e-02 1.201e-03 -3.278e-03 / + CHEB/ -4.699e-02 3.012e-02 5.782e-03 -9.654e-04 / + CHEB/ -1.356e-02 2.376e-03 3.429e-03 4.145e-04 / + +! Reaction index: Chemkin #701; RMG #6496 +! PDep reaction: PDepNetwork #244 +! Flux pairs: HOCH2O(38), CH2OH(26); H(5), OH(3); +H(5)+HOCH2O(38)(+M)<=>OH(3)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.232e+01 -8.753e-01 -9.257e-02 8.982e-03 / + CHEB/ 1.109e+00 7.371e-01 -2.917e-03 -2.046e-02 / + CHEB/ 7.571e-02 1.926e-01 6.814e-02 -6.648e-03 / + CHEB/ -3.635e-02 -1.089e-02 3.255e-02 9.191e-03 / + CHEB/ -2.393e-02 -3.417e-02 9.650e-05 6.936e-03 / + CHEB/ -9.494e-03 -1.837e-02 -6.998e-03 1.106e-03 / + +! Reaction index: Chemkin #702; RMG #5875 +! PDep reaction: PDepNetwork #197 +! Flux pairs: O[CH]O(970), CH2OH(26); H(5), OH(3); +H(5)+O[CH]O(970)(+M)<=>OH(3)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.211e+01 -9.953e-01 -6.271e-02 3.241e-03 / + CHEB/ 1.822e+00 7.428e-01 -3.726e-02 -9.561e-03 / + CHEB/ 7.012e-02 2.742e-01 4.587e-02 -9.928e-03 / + CHEB/ -6.547e-02 2.321e-02 4.162e-02 2.829e-03 / + CHEB/ -3.326e-02 -3.427e-02 1.101e-02 6.624e-03 / + CHEB/ -1.283e-02 -2.460e-02 -3.645e-03 2.972e-03 / + +! Reaction index: Chemkin #703; RMG #5474 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); CH3O4(1023), OC(O)(O)O(1071); +! From training reaction 200 used for Orad_O_H;O_rad/NonDeC +! Exact match found for rate rule [Orad_O_H;O_rad/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(4)+CH3O4(1023)<=>O2(2)+OC(O)(O)O(1071) 1.400000e+11 0.000 0.000 + +! Reaction index: Chemkin #704; RMG #113 +! Library reaction: NOx2018 +! Flux pairs: HCO(13), CH2CO(30); CH3(7), H2(6); +HCO(13)+CH3(7)<=>H2(6)+CH2CO(30) 1.000e+00 0.000 0.000 + PLOG/ 0.050000 6.100e+06 1.240 -1.733 / + PLOG/ 0.100000 1.100e+07 1.180 -1.303 / + PLOG/ 1.000000 4.900e+08 0.750 0.842 / + PLOG/ 10.000000 1.600e+11 0.109 4.387 / + +! Reaction index: Chemkin #705; RMG #445 +! Library reaction: NOx2018 +! Flux pairs: CH3CO(47), CH2CO(30); H(5), H2(6); +H(5)+CH3CO(47)<=>H2(6)+CH2CO(30) 1.200000e+13 0.000 0.000 + +! Reaction index: Chemkin #706; RMG #447 +! Library reaction: NOx2018 +! Flux pairs: CH3CO(47), CH2CO(30); O(16), OH(3); +O(16)+CH3CO(47)<=>OH(3)+CH2CO(30) 5.300000e+13 0.000 0.000 + +! Reaction index: Chemkin #707; RMG #448 +! Library reaction: NOx2018 +! Flux pairs: CH3CO(47), CH2CO(30); OH(3), H2O(17); +OH(3)+CH3CO(47)<=>H2O(17)+CH2CO(30) 1.200000e+13 0.000 0.000 + +! Reaction index: Chemkin #708; RMG #450 +! Library reaction: NOx2018 +! Flux pairs: CH3CO(47), CH2CO(30); O2(2), HO2(4); +O2(2)+CH3CO(47)<=>HO2(4)+CH2CO(30) 1.000e+00 0.000 0.000 + PLOG/ 0.100000 1.300e+08 1.986 0.228 / + PLOG/ 1.000000 3.600e+10 0.544 3.721 / + PLOG/ 10.000000 7.700e+13 -0.335 7.510 / + +! Reaction index: Chemkin #709; RMG #453 +! Library reaction: NOx2018 +! Flux pairs: CH3CO(47), CH2CO(30); CH3(7), CH4(20); +CH3(7)+CH3CO(47)<=>CH4(20)+CH2CO(30) 5.300000e+13 0.000 0.000 + +! Reaction index: Chemkin #710; RMG #474 +! Library reaction: NOx2018 +! Flux pairs: CO(8), CH2CO(30); CH2(21), CH2CO(30); +CO(8)+CH2(21)(+M)<=>CH2CO(30)(+M) 8.100e+11 0.500 4.510 +H2O(17)/6.00/ N2/1.00/ Ar(14)/0.70/ + LOW/ 2.690e+33 -5.110 7.095 / + TROE/ 5.907e-01 275 1.23e+03 5.18e+03 / + +! Reaction index: Chemkin #711; RMG #475 +! Library reaction: NOx2018 +! Flux pairs: CH2CO(30), CO(8); H(5), CH3(7); +H(5)+CH2CO(30)<=>CO(8)+CH3(7) 7.800000e+08 1.450 2.780 + +! Reaction index: Chemkin #712; RMG #477 +! Library reaction: NOx2018 +! Flux pairs: CH2CO(30), CO2(9); O(16), CH2(21); +O(16)+CH2CO(30)<=>CO2(9)+CH2(21) 1.800000e+12 0.000 1.350 + +! Reaction index: Chemkin #713; RMG #478 +! Library reaction: NOx2018 +! Flux pairs: CH2CO(30), CH2OH(26); OH(3), CO(8); +OH(3)+CH2CO(30)<=>CO(8)+CH2OH(26) 1.000000e+12 0.000 -1.013 + +! Reaction index: Chemkin #714; RMG #479 +! Library reaction: NOx2018 +! Flux pairs: CH2CO(30), CO2(9); OH(3), CH3(7); +OH(3)+CH2CO(30)<=>CO2(9)+CH3(7) 6.700000e+11 0.000 -1.013 + +! Reaction index: Chemkin #715; RMG #3414 +! Library reaction: FFCM1(-) +! Flux pairs: CH2CO(30), HCO(13); O(16), HCO(13); +O(16)+CH2CO(30)<=>HCO(13)+HCO(13) 3.610000e+11 0.000 1.351 + +! Reaction index: Chemkin #716; RMG #3415 +! Library reaction: FFCM1(-) +! Flux pairs: CH2CO(30), CH2O(12); O(16), CO(8); +O(16)+CH2CO(30)<=>CO(8)+CH2O(12) 3.610000e+11 0.000 1.351 + +! Reaction index: Chemkin #717; RMG #5707 +! PDep reaction: PDepNetwork #182 +! Flux pairs: H(5), CH3CO(47); CH2CO(30), CH3CO(47); +H(5)+CH2CO(30)(+M)<=>CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.200e+00 1.502e+00 -1.081e-02 -4.696e-03 / + CHEB/ 1.779e+00 -1.703e-02 -9.483e-03 -3.774e-03 / + CHEB/ 2.581e-01 -1.078e-02 -6.058e-03 -2.384e-03 / + CHEB/ 1.150e-01 -7.235e-03 -4.224e-03 -1.721e-03 / + CHEB/ 4.289e-02 -4.420e-03 -2.616e-03 -1.070e-03 / + CHEB/ 1.298e-02 -2.740e-03 -1.539e-03 -5.857e-04 / + +! Reaction index: Chemkin #718; RMG #5702 +! PDep reaction: PDepNetwork #179 +! Flux pairs: OH(3), C2H3O2(1042); CH2CO(30), C2H3O2(1042); +OH(3)+CH2CO(30)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.868e+00 1.514e+00 -4.296e-03 -2.019e-03 / + CHEB/ 1.250e+00 6.371e-03 3.891e-03 1.814e-03 / + CHEB/ 3.462e-01 -2.947e-03 -1.793e-03 -8.307e-04 / + CHEB/ 1.522e-01 -6.718e-05 -4.791e-05 -2.917e-05 / + CHEB/ 2.394e-02 9.080e-05 5.792e-05 2.912e-05 / + CHEB/ -2.185e-02 1.531e-04 9.447e-05 4.493e-05 / + +! Reaction index: Chemkin #719; RMG #5450 +! PDep reaction: PDepNetwork #146 +! Flux pairs: CO2(9), CH2CO(30); CH2(S)(22), O-2(1040); +CO2(9)+CH2(S)(22)(+M)<=>O-2(1040)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.278e+01 -1.042e-02 -6.370e-03 -2.977e-03 / + CHEB/ 2.727e+01 9.684e-03 5.898e-03 2.734e-03 / + CHEB/ 3.400e-02 -3.919e-05 -5.079e-06 1.524e-05 / + CHEB/ 4.028e-02 -1.172e-04 -7.229e-05 -3.429e-05 / + CHEB/ 1.256e-02 -1.521e-04 -9.357e-05 -4.428e-05 / + CHEB/ -5.206e-03 -1.059e-04 -6.526e-05 -3.096e-05 / + +! Reaction index: Chemkin #720; RMG #4695 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+[O]C1OO1(1041)<=>H2O(17)+CO3(1034) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #721; RMG #4697 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +H(5)+[O]C1OO1(1041)<=>H2(6)+CO3(1034) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #722; RMG #4772 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +O(16)+[O]C1OO1(1041)<=>OH(3)+CO3(1034) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #723; RMG #4775 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); O2(2), HO2(4); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2(2)+[O]C1OO1(1041)<=>HO2(4)+CO3(1034) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #724; RMG #5566 +! PDep reaction: PDepNetwork #165 +! Flux pairs: [O]C1OO1(1041), OH(3); [O]C1OO1(1041), CO2(9); +[O]C1OO1(1041)(+M)<=>OH(3)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.316e+00 1.503e+00 -1.080e-02 -5.026e-03 / + CHEB/ 1.207e+01 9.839e-03 5.942e-03 2.708e-03 / + CHEB/ -1.752e-01 1.280e-03 8.010e-04 3.912e-04 / + CHEB/ -1.104e-01 5.298e-04 3.306e-04 1.607e-04 / + CHEB/ -5.256e-02 -5.995e-05 -3.481e-05 -1.455e-05 / + CHEB/ -2.350e-02 -1.485e-04 -9.157e-05 -4.348e-05 / + +! Reaction index: Chemkin #725; RMG #5564 +! PDep reaction: PDepNetwork #165 +! Flux pairs: [O]C1OO1(1041), CHO3(986); +[O]C1OO1(1041)(+M)<=>CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.007e+01 3.024e+00 -1.081e-02 -5.034e-03 / + CHEB/ 1.195e+01 9.807e-03 5.922e-03 2.699e-03 / + CHEB/ -2.807e-01 1.267e-03 7.928e-04 3.873e-04 / + CHEB/ -1.749e-01 5.252e-04 3.278e-04 1.594e-04 / + CHEB/ -4.683e-02 -6.153e-05 -3.577e-05 -1.499e-05 / + CHEB/ -3.950e-03 -1.492e-04 -9.196e-05 -4.365e-05 / + +! Reaction index: Chemkin #726; RMG #5565 +! PDep reaction: PDepNetwork #165 +! Flux pairs: [O]C1OO1(1041), O(16); [O]C1OO1(1041), HOCO(10); +[O]C1OO1(1041)(+M)<=>O(16)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.482e+00 1.504e+00 -1.024e-02 -4.768e-03 / + CHEB/ 1.204e+01 1.073e-02 6.489e-03 2.968e-03 / + CHEB/ 9.453e-03 1.471e-03 9.219e-04 4.514e-04 / + CHEB/ -2.603e-02 4.966e-04 3.108e-04 1.520e-04 / + CHEB/ -2.064e-02 -1.054e-04 -6.335e-05 -2.858e-05 / + CHEB/ -9.845e-03 -1.705e-04 -1.055e-04 -5.046e-05 / + +! Reaction index: Chemkin #727; RMG #4797 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+[O]C1OO1(1041)<=>CO3(1034)+FA(1) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #728; RMG #4799 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+[O]C1OO1(1041)<=>CO3(1034)+FA(1) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #729; RMG #4807 +! PDep reaction: PDepNetwork #111 +! Flux pairs: FA(1), [O]C1OO1(1041); O-2(1040), H(5); +O-2(1040)+FA(1)(+M)<=>H(5)+[O]C1OO1(1041)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.267e+00 -2.250e-01 -1.114e-01 -3.260e-02 / + CHEB/ 1.463e+01 1.604e-01 7.321e-02 1.630e-02 / + CHEB/ -7.851e-02 4.918e-02 2.653e-02 9.285e-03 / + CHEB/ -6.229e-02 8.564e-03 6.184e-03 3.410e-03 / + CHEB/ -4.302e-02 -3.064e-03 -7.520e-04 4.855e-04 / + CHEB/ -2.544e-02 -4.046e-03 -1.940e-03 -4.625e-04 / + +! Reaction index: Chemkin #730; RMG #4809 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+[O]C1OO1(1041)<=>H2O2(18)+CO3(1034) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #731; RMG #4811 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CH2O3(1000); CHO3(986), CO3(1034); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+[O]C1OO1(1041)<=>CO3(1034)+CH2O3(1000) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #732; RMG #5553 +! PDep reaction: PDepNetwork #165 +! Flux pairs: [O]C1OO1(1041), O[C]1OO1(1008); +[O]C1OO1(1041)(+M)<=>O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.797e+00 3.025e+00 -1.022e-02 -4.751e-03 / + CHEB/ 1.266e+01 9.577e-03 5.780e-03 2.631e-03 / + CHEB/ -1.391e-01 1.070e-03 6.710e-04 3.293e-04 / + CHEB/ -1.341e-01 4.109e-04 2.572e-04 1.258e-04 / + CHEB/ -3.252e-02 -1.982e-05 -1.006e-05 -2.777e-06 / + CHEB/ 2.499e-03 -8.973e-05 -5.528e-05 -2.621e-05 / + +! Reaction index: Chemkin #733; RMG #4853 +! PDep reaction: PDepNetwork #114 +! Flux pairs: OC1OO1(1047), H(5); OC1OO1(1047), [O]C1OO1(1041); +OC1OO1(1047)(+M)<=>H(5)+[O]C1OO1(1041)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.005e+01 1.286e+00 -1.162e-01 -3.389e-02 / + CHEB/ 3.331e+01 1.518e-01 6.834e-02 1.439e-02 / + CHEB/ -3.496e-01 4.973e-02 2.618e-02 8.648e-03 / + CHEB/ -1.761e-01 1.146e-02 7.413e-03 3.565e-03 / + CHEB/ -8.337e-02 -1.069e-03 3.157e-04 8.406e-04 / + CHEB/ -3.565e-02 -3.316e-03 -1.441e-03 -2.064e-04 / + +! Reaction index: Chemkin #734; RMG #4860 +! PDep reaction: PDepNetwork #93 +! Flux pairs: O(16), [O]C1OO1(1041); OCHO(11), [O]C1OO1(1041); +O(16)+OCHO(11)(+M)<=>[O]C1OO1(1041)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.954e+00 6.214e-01 -9.130e-02 -4.147e-03 / + CHEB/ -2.911e-01 6.400e-01 2.474e-02 -4.754e-03 / + CHEB/ -3.274e-01 1.555e-01 3.184e-02 9.004e-04 / + CHEB/ -1.594e-01 1.105e-02 8.580e-03 2.307e-03 / + CHEB/ -5.915e-02 -1.081e-02 -6.628e-04 3.966e-04 / + CHEB/ -1.900e-02 -7.044e-03 -1.245e-03 -1.759e-04 / + +! Reaction index: Chemkin #735; RMG #4862 +! Template reaction: CO_Disproportionation +! Flux pairs: [O]C1OO1(1041), OC1OO1(1047); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO +HCO(13)+[O]C1OO1(1041)<=>CO(8)+OC1OO1(1047) 6.230550e+13 -0.000 0.000 + +! Reaction index: Chemkin #736; RMG #4868 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), OC1OO1(1047); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+[O]C1OO1(1041)<=>CO2(9)+OC1OO1(1047) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #737; RMG #4870 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), OC1OO1(1047); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+[O]C1OO1(1041)<=>CO2(9)+OC1OO1(1047) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #738; RMG #4902 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); [O]C1OO1(1041), OC1OO1(1047); +! From training reaction 200 used for Orad_O_H;O_rad/NonDeC +! Exact match found for rate rule [Orad_O_H;O_rad/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(4)+[O]C1OO1(1041)<=>O2(2)+OC1OO1(1047) 1.400000e+11 0.000 0.000 + +! Reaction index: Chemkin #739; RMG #5567 +! PDep reaction: PDepNetwork #165 +! Flux pairs: [O]C1OO1(1041), HO2(4); [O]C1OO1(1041), CO(8); +[O]C1OO1(1041)(+M)<=>HO2(4)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.396e+00 1.497e+00 -1.474e-02 -6.863e-03 / + CHEB/ 1.383e+01 1.841e-02 1.118e-02 5.156e-03 / + CHEB/ -3.185e-02 1.642e-03 1.026e-03 5.006e-04 / + CHEB/ -6.782e-02 -4.289e-04 -2.562e-04 -1.140e-04 / + CHEB/ -3.276e-02 -4.291e-04 -2.617e-04 -1.217e-04 / + CHEB/ -1.231e-02 -1.540e-04 -9.491e-05 -4.507e-05 / + +! Reaction index: Chemkin #740; RMG #4922 +! PDep reaction: PDepNetwork #123 +! Flux pairs: H(5), [O]C1OO1(1041); CO3(1034), [O]C1OO1(1041); +H(5)+CO3(1034)(+M)<=>[O]C1OO1(1041)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.404e+00 1.215e+00 8.678e-02 -2.822e-02 / + CHEB/ 3.686e+00 1.679e-01 -6.388e-02 2.894e-02 / + CHEB/ -7.762e-02 1.352e-01 -3.775e-02 -1.085e-03 / + CHEB/ -2.092e-02 2.793e-02 1.659e-03 -2.426e-03 / + CHEB/ 1.372e-02 -1.368e-02 6.398e-03 1.130e-03 / + CHEB/ 1.519e-02 -1.470e-02 2.989e-03 9.062e-04 / + +! Reaction index: Chemkin #741; RMG #5552 +! PDep reaction: PDepNetwork #165 +! Flux pairs: [O]C1OO1(1041), O2CHO(67); +[O]C1OO1(1041)(+M)<=>O2CHO(67)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.015e+01 1.239e+00 -1.093e-01 -1.624e-02 / + CHEB/ -2.308e-01 3.658e-01 9.863e-02 3.102e-03 / + CHEB/ -1.663e-01 4.928e-02 1.636e-02 7.765e-03 / + CHEB/ -1.111e-01 1.407e-02 -2.268e-03 7.734e-04 / + CHEB/ -6.788e-02 1.261e-02 -1.642e-03 -9.001e-04 / + CHEB/ -3.840e-02 9.797e-03 2.054e-04 -6.220e-04 / + +! Reaction index: Chemkin #742; RMG #5115 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), OC1OO1(1047); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C1OO1(1041)+O[CH]O(970)<=>FA(1)+OC1OO1(1047) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #743; RMG #5117 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), OC1OO1(1047); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C1OO1(1041)+HOCH2O(38)<=>FA(1)+OC1OO1(1047) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #744; RMG #5120 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCO(13)+[O]C1OO1(1041)<=>CO3(1034)+CH2O(12) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #745; RMG #5121 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), OC1OO1(1047); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +[O]C1OO1(1041)+CH2OH(26)<=>CH2O(12)+OC1OO1(1047) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #746; RMG #5123 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), OC1OO1(1047); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +[O]C1OO1(1041)+CH3O(27)<=>CH2O(12)+OC1OO1(1047) 1.080000e+07 2.000 0.000 + +! Reaction index: Chemkin #747; RMG #5126 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), OC1OO1(1047); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +[O]C1OO1(1041)+O[C](O)O(1021)<=>CH2O3(1000)+OC1OO1(1047) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #748; RMG #5128 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC1OO1(1047); [O]C1OO1(1041), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +[O]C1OO1(1041)+[O]C(O)O(972)<=>CH2O3(1000)+OC1OO1(1047) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #749; RMG #5131 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C1OO1(1041)+CH3(7)<=>CO3(1034)+CH4(20) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #750; RMG #5134 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +[O]C1OO1(1041)+CH3O(27)<=>CO3(1034)+CH3OH(25) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #751; RMG #5135 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C1OO1(1041)+CH2OH(26)<=>CO3(1034)+CH3OH(25) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #752; RMG #5533 +! PDep reaction: PDepNetwork #125 +! Flux pairs: O2CHO(67), OH(3); O2CHO(67), CO2(9); +O2CHO(67)(+M)<=>OH(3)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.973e+01 1.479e+00 -2.532e-02 -1.163e-02 / + CHEB/ 2.200e+01 2.589e-02 1.554e-02 7.003e-03 / + CHEB/ -4.644e-01 3.942e-03 2.419e-03 1.138e-03 / + CHEB/ -1.562e-01 -4.574e-04 -2.497e-04 -8.914e-05 / + CHEB/ -3.369e-02 -9.941e-04 -5.952e-04 -2.665e-04 / + CHEB/ 1.473e-03 -6.018e-04 -3.658e-04 -1.690e-04 / + +! Reaction index: Chemkin #753; RMG #6295 +! PDep reaction: PDepNetwork #232 +! Flux pairs: OCHO(11), CO2(9); O-2(1040), OH(3); +O-2(1040)+OCHO(11)(+M)<=>OH(3)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.636e+00 -8.475e-03 -5.206e-03 -2.456e-03 / + CHEB/ -7.084e-02 4.867e-03 2.978e-03 1.393e-03 / + CHEB/ -4.567e-02 7.328e-04 4.545e-04 2.185e-04 / + CHEB/ -5.594e-03 1.900e-04 1.178e-04 5.666e-05 / + CHEB/ 2.019e-03 -9.066e-05 -5.556e-05 -2.609e-05 / + CHEB/ -5.016e-04 -8.562e-05 -5.281e-05 -2.511e-05 / + +! Reaction index: Chemkin #754; RMG #5485 +! PDep reaction: PDepNetwork #28 +! Flux pairs: CO2(9), [CH]1OO1(971); OH(3), O(16); +OH(3)+CO2(9)(+M)<=>O(16)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.799e+01 -4.542e-03 -2.797e-03 -1.326e-03 / + CHEB/ 6.109e+01 2.242e-03 1.377e-03 6.496e-04 / + CHEB/ 1.652e-01 4.584e-04 2.831e-04 1.350e-04 / + CHEB/ 7.284e-02 1.171e-04 7.245e-05 3.467e-05 / + CHEB/ 3.514e-02 -3.836e-05 -2.355e-05 -1.110e-05 / + CHEB/ 1.753e-02 -4.085e-05 -2.520e-05 -1.199e-05 / + +! Reaction index: Chemkin #755; RMG #5514 +! PDep reaction: PDepNetwork #93 +! Flux pairs: OCHO(11), CO2(9); O(16), OH(3); +O(16)+OCHO(11)(+M)<=>OH(3)+CO2(9)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.423e+00 -3.721e-02 -2.257e-02 -1.038e-02 / + CHEB/ 5.575e+00 2.814e-02 1.694e-02 7.668e-03 / + CHEB/ -1.090e-01 3.437e-03 2.129e-03 1.020e-03 / + CHEB/ -5.293e-02 -7.920e-04 -4.539e-04 -1.842e-04 / + CHEB/ -2.414e-02 -8.284e-04 -5.001e-04 -2.277e-04 / + CHEB/ -1.119e-02 -3.199e-04 -1.982e-04 -9.495e-05 / + +! Reaction index: Chemkin #756; RMG #5518 +! PDep reaction: PDepNetwork #112 +! Flux pairs: O[C]1OO1(1008), HO2(4); O[C]1OO1(1008), CO(8); +O[C]1OO1(1008)(+M)<=>HO2(4)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.530e+01 1.499e+00 -1.322e-02 -6.171e-03 / + CHEB/ 1.702e+01 1.670e-02 1.016e-02 4.695e-03 / + CHEB/ 1.991e-01 8.743e-04 5.607e-04 2.864e-04 / + CHEB/ -3.290e-02 -2.405e-04 -1.428e-04 -6.272e-05 / + CHEB/ 7.487e-03 -2.394e-04 -1.470e-04 -6.924e-05 / + CHEB/ 1.848e-02 -1.261e-04 -7.817e-05 -3.755e-05 / + +! Reaction index: Chemkin #757; RMG #5490 +! PDep reaction: PDepNetwork #30 +! Flux pairs: HO2(4), CHO3(986); CO(8), CHO3(986); +HO2(4)+CO(8)(+M)<=>CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.875e+01 1.498e+00 -1.380e-02 -6.448e-03 / + CHEB/ 2.506e+01 1.692e-02 1.029e-02 4.759e-03 / + CHEB/ 2.002e-01 1.058e-03 6.743e-04 3.404e-04 / + CHEB/ -5.538e-03 -1.302e-04 -7.476e-05 -3.036e-05 / + CHEB/ 2.212e-02 -2.787e-04 -1.712e-04 -8.075e-05 / + CHEB/ 2.513e-02 -1.830e-04 -1.133e-04 -5.424e-05 / + +! Reaction index: Chemkin #758; RMG #6296 +! PDep reaction: PDepNetwork #232 +! Flux pairs: OCHO(11), CO(8); O-2(1040), HO2(4); +O-2(1040)+OCHO(11)(+M)<=>HO2(4)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.569e+00 -7.829e-03 -4.808e-03 -2.266e-03 / + CHEB/ 8.764e-01 5.109e-03 3.127e-03 1.464e-03 / + CHEB/ 1.962e-01 5.070e-04 3.152e-04 1.522e-04 / + CHEB/ 6.505e-02 9.645e-06 6.575e-06 3.714e-06 / + CHEB/ 2.253e-02 -7.256e-05 -4.440e-05 -2.079e-05 / + CHEB/ 7.661e-03 -2.275e-05 -1.403e-05 -6.665e-06 / + +! Reaction index: Chemkin #759; RMG #5492 +! PDep reaction: PDepNetwork #30 +! Flux pairs: CO(8), [CH]1OO1(971); HO2(4), O(16); +HO2(4)+CO(8)(+M)<=>O(16)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.391e+01 -4.108e-03 -2.529e-03 -1.198e-03 / + CHEB/ 4.221e+01 2.364e-03 1.453e-03 6.855e-04 / + CHEB/ 4.497e-01 3.272e-04 2.022e-04 9.647e-05 / + CHEB/ 1.540e-01 2.840e-05 1.772e-05 8.617e-06 / + CHEB/ 5.755e-02 -2.778e-05 -1.703e-05 -7.994e-06 / + CHEB/ 2.662e-02 -7.625e-06 -4.697e-06 -2.228e-06 / + +! Reaction index: Chemkin #760; RMG #5524 +! PDep reaction: PDepNetwork #123 +! Flux pairs: CO3(1034), CO(8); H(5), HO2(4); +H(5)+CO3(1034)(+M)<=>HO2(4)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.877e+00 -2.267e-02 -1.384e-02 -6.448e-03 / + CHEB/ 1.210e+01 1.861e-02 1.131e-02 5.224e-03 / + CHEB/ 7.889e-02 1.345e-03 8.467e-04 4.185e-04 / + CHEB/ 2.614e-02 -5.531e-04 -3.328e-04 -1.505e-04 / + CHEB/ 1.674e-02 -4.138e-04 -2.531e-04 -1.183e-04 / + CHEB/ 9.976e-03 -1.096e-04 -6.797e-05 -3.266e-05 / + +! Reaction index: Chemkin #761; RMG #5505 +! PDep reaction: PDepNetwork #92 +! Flux pairs: HOCO(10), CO(8); O(16), HO2(4); +O(16)+HOCO(10)(+M)<=>HO2(4)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.029e+01 -2.082e-02 -1.273e-02 -5.953e-03 / + CHEB/ 1.241e+01 1.690e-02 1.029e-02 4.765e-03 / + CHEB/ 3.383e-01 7.078e-04 4.607e-04 2.413e-04 / + CHEB/ 8.663e-02 -2.022e-04 -1.202e-04 -5.281e-05 / + CHEB/ 3.309e-02 -2.474e-04 -1.525e-04 -7.248e-05 / + CHEB/ 1.488e-02 -1.567e-04 -9.714e-05 -4.662e-05 / + +! Reaction index: Chemkin #762; RMG #5528 +! PDep reaction: PDepNetwork #125 +! Flux pairs: O2CHO(67), CHO3(986); +O2CHO(67)(+M)<=>CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.349e+01 3.000e+00 -2.538e-02 -1.165e-02 / + CHEB/ 2.188e+01 2.581e-02 1.550e-02 6.981e-03 / + CHEB/ -5.671e-01 3.923e-03 2.407e-03 1.132e-03 / + CHEB/ -2.194e-01 -4.652e-04 -2.544e-04 -9.133e-05 / + CHEB/ -2.739e-02 -1.003e-03 -6.006e-04 -2.689e-04 / + CHEB/ 2.130e-02 -6.106e-04 -3.711e-04 -1.713e-04 / + +! Reaction index: Chemkin #763; RMG #6290 +! PDep reaction: PDepNetwork #232 +! Flux pairs: O-2(1040), CHO3(986); OCHO(11), CHO3(986); +O-2(1040)+OCHO(11)(+M)<=>CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.834e+00 1.512e+00 -5.211e-03 -2.458e-03 / + CHEB/ -1.988e-01 4.860e-03 2.973e-03 1.391e-03 / + CHEB/ -1.520e-01 7.302e-04 4.529e-04 2.177e-04 / + CHEB/ -7.068e-02 1.893e-04 1.174e-04 5.646e-05 / + CHEB/ 7.446e-03 -9.086e-05 -5.569e-05 -2.615e-05 / + CHEB/ 1.894e-02 -8.574e-05 -5.288e-05 -2.514e-05 / + +! Reaction index: Chemkin #764; RMG #5498 +! PDep reaction: PDepNetwork #50 +! Flux pairs: CHO3(986), O(16); CHO3(986), [CH]1OO1(971); +CHO3(986)(+M)<=>O(16)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.129e+01 1.516e+00 -2.800e-03 -1.327e-03 / + CHEB/ 6.148e+01 2.238e-03 1.375e-03 6.485e-04 / + CHEB/ -9.602e-02 4.569e-04 2.822e-04 1.346e-04 / + CHEB/ -6.187e-02 1.165e-04 7.211e-05 3.451e-05 / + CHEB/ 1.592e-02 -3.861e-05 -2.371e-05 -1.117e-05 / + CHEB/ 2.845e-02 -4.098e-05 -2.528e-05 -1.203e-05 / + +! Reaction index: Chemkin #765; RMG #5509 +! PDep reaction: PDepNetwork #93 +! Flux pairs: O(16), CHO3(986); OCHO(11), CHO3(986); +O(16)+OCHO(11)(+M)<=>CHO3(986)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.336e+00 1.483e+00 -2.262e-02 -1.040e-02 / + CHEB/ 5.448e+00 2.809e-02 1.690e-02 7.653e-03 / + CHEB/ -2.151e-01 3.448e-03 2.135e-03 1.022e-03 / + CHEB/ -1.177e-01 -7.846e-04 -4.494e-04 -1.821e-04 / + CHEB/ -1.854e-02 -8.321e-04 -5.023e-04 -2.286e-04 / + CHEB/ 8.292e-03 -3.258e-04 -2.017e-04 -9.654e-05 / + +! Reaction index: Chemkin #766; RMG #5502 +! PDep reaction: PDepNetwork #92 +! Flux pairs: O(16), O2CHO(67); HOCO(10), O2CHO(67); +O(16)+HOCO(10)(+M)<=>O2CHO(67)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.761e+00 1.483e+00 -2.309e-02 -1.061e-02 / + CHEB/ 9.021e+00 2.812e-02 1.692e-02 7.655e-03 / + CHEB/ -2.555e-01 3.848e-03 2.375e-03 1.130e-03 / + CHEB/ -5.042e-02 -6.237e-04 -3.508e-04 -1.359e-04 / + CHEB/ 9.091e-03 -8.462e-04 -5.095e-04 -2.308e-04 / + CHEB/ 1.913e-02 -3.658e-04 -2.255e-04 -1.070e-04 / + +! Reaction index: Chemkin #767; RMG #6294 +! PDep reaction: PDepNetwork #232 +! Flux pairs: OCHO(11), HOCO(10); O-2(1040), O(16); +O-2(1040)+OCHO(11)(+M)<=>O(16)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.805e+00 -8.306e-03 -5.103e-03 -2.407e-03 / + CHEB/ -3.329e-01 5.019e-03 3.071e-03 1.438e-03 / + CHEB/ 4.604e-02 7.675e-04 4.760e-04 2.288e-04 / + CHEB/ 4.987e-02 1.861e-04 1.155e-04 5.560e-05 / + CHEB/ 2.488e-02 -9.593e-05 -5.881e-05 -2.763e-05 / + CHEB/ 8.245e-03 -8.668e-05 -5.346e-05 -2.542e-05 / + +! Reaction index: Chemkin #768; RMG #5504 +! PDep reaction: PDepNetwork #92 +! Flux pairs: HOCO(10), [CH]1OO1(971); O(16), O(16); +O(16)+HOCO(10)(+M)<=>O(16)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.776e+01 -4.478e-03 -2.758e-03 -1.307e-03 / + CHEB/ 2.819e+01 2.303e-03 1.415e-03 6.676e-04 / + CHEB/ 1.127e-01 4.776e-04 2.950e-04 1.407e-04 / + CHEB/ 7.242e-02 1.214e-04 7.516e-05 3.597e-05 / + CHEB/ 4.022e-02 -3.687e-05 -2.263e-05 -1.066e-05 / + CHEB/ 2.131e-02 -4.002e-05 -2.469e-05 -1.174e-05 / + +! Reaction index: Chemkin #769; RMG #5513 +! PDep reaction: PDepNetwork #93 +! Flux pairs: OCHO(11), HOCO(10); O(16), O(16); +O(16)+OCHO(11)(+M)<=>O(16)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.881e-01 -3.371e-02 -2.046e-02 -9.418e-03 / + CHEB/ 5.576e+00 2.891e-02 1.743e-02 7.919e-03 / + CHEB/ 8.984e-02 2.193e-03 1.387e-03 6.900e-04 / + CHEB/ 3.563e-02 -1.301e-03 -7.656e-04 -3.304e-04 / + CHEB/ 9.191e-03 -6.913e-04 -4.218e-04 -1.962e-04 / + CHEB/ 3.140e-03 -1.271e-04 -8.285e-05 -4.342e-05 / + +! Reaction index: Chemkin #770; RMG #5508 +! PDep reaction: PDepNetwork #93 +! Flux pairs: O(16), O[C]1OO1(1008); OCHO(11), O[C]1OO1(1008); +O(16)+OCHO(11)(+M)<=>O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.059e+00 1.484e+00 -2.205e-02 -1.013e-02 / + CHEB/ 6.159e+00 2.786e-02 1.676e-02 7.586e-03 / + CHEB/ -7.329e-02 3.279e-03 2.030e-03 9.717e-04 / + CHEB/ -7.664e-02 -8.871e-04 -5.127e-04 -2.123e-04 / + CHEB/ -4.059e-03 -7.911e-04 -4.769e-04 -2.165e-04 / + CHEB/ 1.484e-02 -2.690e-04 -1.666e-04 -7.982e-05 / + +! Reaction index: Chemkin #771; RMG #6297 +! PDep reaction: PDepNetwork #232 +! Flux pairs: OCHO(11), OCHO(11); O-2(1040), O(16); +O-2(1040)+OCHO(11)(+M)<=>O(16)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.299e+01 -7.911e-03 -4.858e-03 -2.290e-03 / + CHEB/ 1.908e-02 5.067e-03 3.101e-03 1.452e-03 / + CHEB/ -7.649e-03 5.131e-04 3.189e-04 1.538e-04 / + CHEB/ -4.871e-03 1.974e-05 1.277e-05 6.632e-06 / + CHEB/ -2.885e-03 -6.826e-05 -4.176e-05 -1.953e-05 / + CHEB/ -1.657e-03 -2.181e-05 -1.344e-05 -6.384e-06 / + +! Reaction index: Chemkin #772; RMG #5511 +! PDep reaction: PDepNetwork #93 +! Flux pairs: OCHO(11), [CH]1OO1(971); O(16), O(16); +O(16)+OCHO(11)(+M)<=>O(16)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.908e+01 -4.121e-03 -2.537e-03 -1.202e-03 / + CHEB/ 2.441e+01 2.356e-03 1.448e-03 6.833e-04 / + CHEB/ 1.720e-01 3.272e-04 2.021e-04 9.643e-05 / + CHEB/ 5.535e-02 2.952e-05 1.841e-05 8.941e-06 / + CHEB/ 2.172e-02 -2.707e-05 -1.659e-05 -7.787e-06 / + CHEB/ 1.358e-02 -7.249e-06 -4.465e-06 -2.117e-06 / + +! Reaction index: Chemkin #773; RMG #5512 +! PDep reaction: PDepNetwork #93 +! Flux pairs: OCHO(11), CO3(1034); O(16), H(5); +O(16)+OCHO(11)(+M)<=>H(5)+CO3(1034)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.309e+00 -6.386e-01 -9.691e-02 -7.103e-03 / + CHEB/ 8.275e-01 6.591e-01 6.572e-02 -2.822e-03 / + CHEB/ 4.619e-02 4.007e-02 3.476e-02 5.959e-03 / + CHEB/ 1.825e-03 -4.765e-02 -7.714e-04 2.618e-03 / + CHEB/ 1.211e-02 -2.259e-02 -5.596e-03 -2.117e-04 / + CHEB/ 1.144e-02 -4.326e-03 -2.701e-03 -4.460e-04 / + +! Reaction index: Chemkin #774; RMG #5515 +! PDep reaction: PDepNetwork #112 +! Flux pairs: O[C]1OO1(1008), O2CHO(67); +O[C]1OO1(1008)(+M)<=>O2CHO(67)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.223e+01 3.000e+00 -2.481e-02 -1.138e-02 / + CHEB/ 1.386e+01 2.556e-02 1.534e-02 6.907e-03 / + CHEB/ -3.396e-01 3.731e-03 2.288e-03 1.075e-03 / + CHEB/ -1.576e-01 -5.778e-04 -3.238e-04 -1.244e-04 / + CHEB/ -1.219e-02 -9.642e-04 -5.765e-04 -2.574e-04 / + CHEB/ 2.441e-02 -5.545e-04 -3.364e-04 -1.548e-04 / + +! Reaction index: Chemkin #775; RMG #6289 +! PDep reaction: PDepNetwork #232 +! Flux pairs: O-2(1040), O[C]1OO1(1008); OCHO(11), O[C]1OO1(1008); +O-2(1040)+OCHO(11)(+M)<=>O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.161e+00 1.513e+00 -4.734e-03 -2.231e-03 / + CHEB/ 4.854e-01 4.755e-03 2.908e-03 1.360e-03 / + CHEB/ 8.634e-03 5.417e-04 3.366e-04 1.624e-04 / + CHEB/ -2.516e-02 8.893e-05 5.549e-05 2.699e-05 / + CHEB/ 2.386e-02 -6.037e-05 -3.689e-05 -1.721e-05 / + CHEB/ 2.643e-02 -3.677e-05 -2.268e-05 -1.078e-05 / + +! Reaction index: Chemkin #776; RMG #5517 +! PDep reaction: PDepNetwork #112 +! Flux pairs: O[C]1OO1(1008), O(16); O[C]1OO1(1008), [CH]1OO1(971); +O[C]1OO1(1008)(+M)<=>O(16)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.428e+01 1.517e+00 -2.532e-03 -1.200e-03 / + CHEB/ 3.302e+01 2.315e-03 1.422e-03 6.711e-04 / + CHEB/ 1.409e-01 3.312e-04 2.047e-04 9.764e-05 / + CHEB/ 5.887e-03 3.910e-05 2.433e-05 1.176e-05 / + CHEB/ 3.294e-02 -2.696e-05 -1.652e-05 -7.754e-06 / + CHEB/ 3.277e-02 -9.985e-06 -6.155e-06 -2.923e-06 / + +! Reaction index: Chemkin #777; RMG #5521 +! PDep reaction: PDepNetwork #123 +! Flux pairs: H(5), O2CHO(67); CO3(1034), O2CHO(67); +H(5)+CO3(1034)(+M)<=>O2CHO(67)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.916e+00 3.255e-01 -3.829e-02 -1.165e-02 / + CHEB/ 3.278e+00 5.461e-01 7.762e-03 2.980e-04 / + CHEB/ -4.212e-01 2.198e-01 1.508e-02 -1.467e-03 / + CHEB/ -2.105e-01 5.285e-02 8.355e-03 1.535e-03 / + CHEB/ -7.343e-02 4.932e-03 -5.770e-04 1.138e-03 / + CHEB/ -1.541e-02 -2.840e-04 -2.437e-03 1.660e-04 / + +! Reaction index: Chemkin #778; RMG #6293 +! PDep reaction: PDepNetwork #232 +! Flux pairs: OCHO(11), CO3(1034); O-2(1040), H(5); +O-2(1040)+OCHO(11)(+M)<=>H(5)+CO3(1034)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.222e+01 -7.406e-03 -4.547e-03 -2.142e-03 / + CHEB/ -6.464e-02 4.826e-03 2.952e-03 1.381e-03 / + CHEB/ 2.972e-02 4.649e-04 2.891e-04 1.397e-04 / + CHEB/ 2.150e-02 3.691e-05 2.339e-05 1.171e-05 / + CHEB/ 1.096e-02 -5.012e-05 -3.055e-05 -1.419e-05 / + CHEB/ 5.275e-03 -1.270e-05 -7.823e-06 -3.707e-06 / + +! Reaction index: Chemkin #779; RMG #5523 +! PDep reaction: PDepNetwork #123 +! Flux pairs: CO3(1034), [CH]1OO1(971); H(5), O(16); +H(5)+CO3(1034)(+M)<=>O(16)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.319e+01 -4.030e-03 -2.481e-03 -1.175e-03 / + CHEB/ 2.899e+01 2.347e-03 1.442e-03 6.805e-04 / + CHEB/ 1.421e-01 3.298e-04 2.038e-04 9.721e-05 / + CHEB/ 5.945e-02 3.592e-05 2.236e-05 1.083e-05 / + CHEB/ 2.969e-02 -2.259e-05 -1.382e-05 -6.467e-06 / + CHEB/ 1.884e-02 -5.042e-06 -3.102e-06 -1.468e-06 / + +! Reaction index: Chemkin #780; RMG #6291 +! PDep reaction: PDepNetwork #232 +! Flux pairs: O-2(1040), O2CHO(67); OCHO(11), O2CHO(67); +O-2(1040)+OCHO(11)(+M)<=>O2CHO(67)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.807e+00 1.513e+00 -4.946e-03 -2.331e-03 / + CHEB/ -3.926e-01 4.944e-03 3.025e-03 1.416e-03 / + CHEB/ -1.765e-01 4.767e-04 2.964e-04 1.431e-04 / + CHEB/ -4.179e-02 1.072e-05 7.170e-06 3.935e-06 / + CHEB/ 7.233e-03 -7.206e-05 -4.410e-05 -2.065e-05 / + CHEB/ 1.775e-02 -2.428e-05 -1.497e-05 -7.109e-06 / + +! Reaction index: Chemkin #781; RMG #5530 +! PDep reaction: PDepNetwork #125 +! Flux pairs: O2CHO(67), O(16); O2CHO(67), [CH]1OO1(971); +O2CHO(67)(+M)<=>O(16)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.364e+01 1.517e+00 -2.568e-03 -1.217e-03 / + CHEB/ 4.117e+01 2.311e-03 1.420e-03 6.700e-04 / + CHEB/ -4.597e-02 3.113e-04 1.924e-04 9.176e-05 / + CHEB/ -5.944e-04 2.409e-05 1.505e-05 7.336e-06 / + CHEB/ 2.681e-02 -2.938e-05 -1.801e-05 -8.465e-06 / + CHEB/ 3.139e-02 -8.197e-06 -5.050e-06 -2.396e-06 / + +! Reaction index: Chemkin #782; RMG #5540 +! Template reaction: H_Abstraction +! Flux pairs: HO2CHO(68), O2CHO(67); O(16), OH(3); +! From training reaction 205 used for O/H/NonDeO;O_atom_triplet +! Exact match found for rate rule [O/H/NonDeO;O_atom_triplet] +! Euclidian distance = 0 +! family: H_Abstraction +O(16)+HO2CHO(68)<=>OH(3)+O2CHO(67) 8.700000e+12 0.000 4.750 + +! Reaction index: Chemkin #783; RMG #5541 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)(O)O(1071), CH3O4(1023); O(16), OH(3); +! From training reaction 194 used for O/H/NonDeC;O_atom_triplet +! Exact match found for rate rule [O/H/NonDeC;O_atom_triplet] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +O(16)+OC(O)(O)O(1071)<=>OH(3)+CH3O4(1023) 1.480000e+13 0.000 5.305 + +! Reaction index: Chemkin #784; RMG #5542 +! Template reaction: H_Abstraction +! Flux pairs: HO2CHO(68), CHO3(1009); O(16), OH(3); +! Estimated using an average for rate rule [CO/H/NonDe;O_atom_triplet] +! Euclidian distance = 0 +! family: H_Abstraction +O(16)+HO2CHO(68)<=>OH(3)+CHO3(1009) 5.800000e+12 0.000 1.808 + +! Reaction index: Chemkin #785; RMG #5543 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), H2O2(18); OC(O)(O)O(1071), CH3O4(1023); +! From training reaction 198 used for O/H/NonDeC;O_rad/NonDeO +! Exact match found for rate rule [O/H/NonDeC;O_rad/NonDeO] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +HO2(4)+OC(O)(O)O(1071)<=>H2O2(18)+CH3O4(1023) 6.000000e-03 4.610 18.581 + +! Reaction index: Chemkin #786; RMG #5544 +! Template reaction: H_Abstraction +! Flux pairs: OC1OO1(1047), O[C]1OO1(1008); OH(3), H2O(17); +! Estimated using average of templates [C/H/NonDe;O_rad] + [C/H/NDMustO;Y_rad] for rate rule [C/H/O3;O_pri_rad] +! Euclidian distance = 2.23606797749979 +! family: H_Abstraction +OH(3)+OC1OO1(1047)<=>H2O(17)+O[C]1OO1(1008) 9.620893e+06 1.468 8.102 + +! Reaction index: Chemkin #787; RMG #5547 +! Template reaction: Disproportionation +! Flux pairs: CH3O4(1023), OC(O)(O)O(1071); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+CH3O4(1023)<=>CH2O3(1000)+OC(O)(O)O(1071) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #788; RMG #5548 +! Template reaction: Disproportionation +! Flux pairs: CH3O4(1023), OC(O)(O)O(1071); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+CH3O4(1023)<=>CH2O3(1000)+OC(O)(O)O(1071) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #789; RMG #6288 +! PDep reaction: PDepNetwork #232 +! Flux pairs: O-2(1040), [O]C1OO1(1041); OCHO(11), [O]C1OO1(1041); +O-2(1040)+OCHO(11)(+M)<=>[O]C1OO1(1041)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.015e+01 1.513e+00 -4.605e-03 -2.169e-03 / + CHEB/ -3.249e-01 4.742e-03 2.900e-03 1.356e-03 / + CHEB/ -9.280e-02 4.370e-04 2.719e-04 1.314e-04 / + CHEB/ -2.827e-02 2.927e-05 1.864e-05 9.419e-06 / + CHEB/ -6.454e-03 -5.219e-05 -3.184e-05 -1.480e-05 / + CHEB/ -2.327e-03 -1.311e-05 -8.071e-06 -3.825e-06 / + +! Reaction index: Chemkin #790; RMG #5550 +! PDep reaction: PDepNetwork #165 +! Flux pairs: [O]C1OO1(1041), O(16); [O]C1OO1(1041), [CH]1OO1(971); +[O]C1OO1(1041)(+M)<=>O(16)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.821e+01 1.517e+00 -2.504e-03 -1.186e-03 / + CHEB/ 3.096e+01 2.310e-03 1.419e-03 6.698e-04 / + CHEB/ 1.296e-01 3.149e-04 1.946e-04 9.282e-05 / + CHEB/ 5.122e-03 2.997e-05 1.868e-05 9.071e-06 / + CHEB/ -4.633e-03 -2.498e-05 -1.530e-05 -7.171e-06 / + CHEB/ 2.121e-03 -5.817e-06 -3.581e-06 -1.696e-06 / + +! Reaction index: Chemkin #791; RMG #5559 +! PDep reaction: PDepNetwork #122 +! Flux pairs: OCHO(11), O2CHO(67); HO2(4), OH(3); +HO2(4)+OCHO(11)(+M)<=>OH(3)+O2CHO(67)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.078e+00 -6.581e-01 -1.252e-01 7.494e-03 / + CHEB/ 4.363e+00 6.845e-01 6.587e-02 -3.126e-02 / + CHEB/ 1.516e-02 3.982e-02 7.146e-02 1.139e-02 / + CHEB/ -3.971e-02 -6.353e-02 -2.448e-03 1.387e-02 / + CHEB/ -1.287e-02 -2.419e-02 -1.676e-02 -1.325e-03 / + CHEB/ -5.596e-04 -2.082e-05 -5.867e-03 -4.522e-03 / + +! Reaction index: Chemkin #792; RMG #7465 +! PDep reaction: PDepNetwork #291 +! Flux pairs: CH3O4(1023), O[C](O)O(1021); H(5), OH(3); +H(5)+CH3O4(1023)(+M)<=>OH(3)+O[C](O)O(1021)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.206e+01 -9.234e-01 -6.833e-02 5.213e-03 / + CHEB/ 1.481e+00 7.746e-01 -1.792e-02 -1.214e-02 / + CHEB/ 7.197e-02 2.260e-01 5.943e-02 -7.129e-03 / + CHEB/ -6.195e-02 -1.536e-02 3.471e-02 6.619e-03 / + CHEB/ -3.248e-02 -4.529e-02 8.538e-04 6.251e-03 / + CHEB/ -1.030e-02 -2.298e-02 -7.812e-03 1.043e-03 / + +! Reaction index: Chemkin #793; RMG #5652 +! PDep reaction: PDepNetwork #176 +! Flux pairs: CHO4(989), CHO4(985); H(5), H(5); +H(5)+CHO4(989)(+M)<=>H(5)+CHO4(985)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.050e+00 -4.991e-02 -2.873e-02 -1.187e-02 / + CHEB/ 1.874e+00 6.837e-02 3.881e-02 1.554e-02 / + CHEB/ 6.031e-01 -2.020e-02 -1.066e-02 -3.540e-03 / + CHEB/ 1.604e-01 6.104e-04 -2.004e-04 -5.596e-04 / + CHEB/ 4.906e-02 4.984e-04 3.840e-04 2.293e-04 / + CHEB/ 1.740e-02 -1.208e-04 -6.417e-05 -1.608e-05 / + +! Reaction index: Chemkin #794; RMG #5580 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+OCHCO(63)<=>FA(1)+OCHCHO(52) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #795; RMG #5581 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+OCHCO(63)<=>FA(1)+OCHCHO(52) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #796; RMG #5583 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); OCHO(11), FA(1); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 6.0 +OCHO(11)+CH3CO(47)<=>FA(1)+CH2CO(30) 1.318824e+09 1.422 0.000 + +! Reaction index: Chemkin #797; RMG #5586 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); HOCO(10), FA(1); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +HOCO(10)+CH3CO(47)<=>FA(1)+CH2CO(30) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #798; RMG #5596 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CH2OH(26)+OCHCO(63)<=>CH2O(12)+OCHCHO(52) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #799; RMG #5597 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+OCHCO(63)<=>CH2O(12)+OCHCHO(52) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #800; RMG #5604 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); HO2(4), H2O2(18); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +HO2(4)+CH3CO(47)<=>H2O2(18)+CH2CO(30) 6.594120e+08 1.422 0.214 + +! Reaction index: Chemkin #801; RMG #5610 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +OO[C](O)O(1010)+OCHCO(63)<=>CH2O4(1005)+OCHCHO(52) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #802; RMG #5614 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+OCHCO(63)<=>CH2O3(1000)+OCHCHO(52) 5.430000e+14 0.000 0.000 + +! Reaction index: Chemkin #803; RMG #5615 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+OCHCO(63)<=>CH2O3(1000)+OCHCHO(52) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #804; RMG #5617 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 6.0 +CHO3(986)+CH3CO(47)<=>CH2O3(1000)+CH2CO(30) 1.318824e+09 1.422 0.000 + +! Reaction index: Chemkin #805; RMG #5630 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); HCO(13), CH2O(12); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +HCO(13)+CH3CO(47)<=>CH2O(12)+CH2CO(30) 6.594120e+08 1.422 0.173 + +! Reaction index: Chemkin #806; RMG #471 +! Library reaction: NOx2018 +! Flux pairs: CHCHO(51), CH2CO(30); H(5), H(5); +H(5)+CHCHO(51)<=>H(5)+CH2CO(30) 1.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #807; RMG #472 +! Library reaction: NOx2018 +! Flux pairs: CHCHO(51), CO2(9); O2(2), H(5); O2(2), HCO(13); +O2(2)+CHCHO(51)<=>H(5)+CO2(9)+HCO(13) 2.100000e+09 0.993 -0.269 + +! Reaction index: Chemkin #808; RMG #473 +! Library reaction: NOx2018 +! Flux pairs: CHCHO(51), OCHCHO(52); O2(2), O(16); +O2(2)+CHCHO(51)<=>O(16)+OCHCHO(52) 1.300000e+06 2.420 1.604 + +! Reaction index: Chemkin #809; RMG #5642 +! PDep reaction: PDepNetwork #173 +! Flux pairs: CHCHO(51), CH2CO(30); +CHCHO(51)(+M)<=>CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.716e+00 1.341e+00 -8.319e-02 -2.243e-02 / + CHEB/ 1.244e+00 1.630e-01 6.654e-02 1.281e-02 / + CHEB/ -1.031e-01 -9.718e-03 1.197e-03 3.701e-03 / + CHEB/ -5.723e-02 2.516e-03 6.163e-04 2.301e-04 / + CHEB/ -5.893e-02 6.748e-03 2.193e-03 3.438e-04 / + CHEB/ -4.466e-02 2.197e-03 1.100e-03 5.064e-04 / + +! Reaction index: Chemkin #810; RMG #5648 +! Template reaction: H_Abstraction +! Flux pairs: OC1OO1(1047), [O]C1OO1(1041); OH(3), H2O(17); +! From training reaction 196 used for O/H/NonDeC;O_pri_rad +! Exact match found for rate rule [O/H/NonDeC;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+OC1OO1(1047)<=>H2O(17)+[O]C1OO1(1041) 2.700000e+07 1.443 0.113 + +! Reaction index: Chemkin #811; RMG #5656 +! PDep reaction: PDepNetwork #177 +! Flux pairs: CHO3(986), O[C]1OO1(1008); O-2(1040), O(16); +O-2(1040)+CHO3(986)(+M)<=>O(16)+O[C]1OO1(1008)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.002e+00 -7.504e-03 -4.608e-03 -2.172e-03 / + CHEB/ 1.505e+01 4.015e-03 2.456e-03 1.149e-03 / + CHEB/ 1.258e-01 7.708e-04 4.746e-04 2.249e-04 / + CHEB/ 6.336e-02 -6.958e-07 6.374e-07 1.300e-06 / + CHEB/ 2.860e-02 -1.227e-04 -7.494e-05 -3.496e-05 / + CHEB/ 1.060e-02 -4.180e-05 -2.573e-05 -1.219e-05 / + +! Reaction index: Chemkin #812; RMG #5666 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2HO3(990)<=>FA(1)+C2H2O3(976) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #813; RMG #5667 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2HO3(990)<=>FA(1)+C2H2O3(976) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #814; RMG #5698 +! PDep reaction: PDepNetwork #178 +! Flux pairs: C2H2O(1085), CH2CO(30); +C2H2O(1085)(+M)<=>CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.026e+01 1.516e+00 -8.596e-03 -3.666e-03 / + CHEB/ -4.804e-01 2.149e-02 2.324e-03 1.715e-03 / + CHEB/ -1.892e-01 1.215e-02 -2.162e-03 -4.620e-04 / + CHEB/ -1.031e-01 1.205e-02 -5.515e-04 1.013e-04 / + CHEB/ -5.675e-02 9.554e-03 -1.780e-04 1.085e-04 / + CHEB/ -2.483e-02 6.817e-03 -4.903e-05 2.860e-05 / + +! Reaction index: Chemkin #815; RMG #5690 +! PDep reaction: PDepNetwork #178 +! Flux pairs: C2H2O(1085), CHCHO(51); +C2H2O(1085)(+M)<=>CHCHO(51)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.193e+00 1.760e+00 1.016e-01 2.553e-02 / + CHEB/ 2.385e-01 -1.838e-01 -9.757e-02 -1.764e-02 / + CHEB/ 2.534e-01 6.294e-03 -2.257e-02 -1.196e-02 / + CHEB/ 3.567e-02 3.734e-02 2.489e-03 -1.291e-03 / + CHEB/ -5.287e-02 2.927e-02 5.131e-03 1.578e-03 / + CHEB/ -5.513e-02 1.554e-02 2.274e-03 1.099e-03 / + +! Reaction index: Chemkin #816; RMG #5679 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2HO3(990)<=>CH2O3(1000)+C2H2O3(976) 5.430000e+14 0.000 0.000 + +! Reaction index: Chemkin #817; RMG #5680 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+C2HO3(990)<=>CH2O3(1000)+C2H2O3(976) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #818; RMG #5686 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCO(13)+OCHCO(63)<=>CH2O(12)+C2O2(1002) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #819; RMG #10102 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), CH2CO(30); CH2(21), H(5); +HCO(13)+CH2(21)(+M)<=>H(5)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.330e+01 -7.939e-04 -4.883e-04 -2.310e-04 / + CHEB/ 1.526e-01 -1.480e-03 -9.101e-04 -4.304e-04 / + CHEB/ 2.963e-02 -1.214e-03 -7.464e-04 -3.526e-04 / + CHEB/ 5.187e-03 -8.920e-04 -5.480e-04 -2.586e-04 / + CHEB/ -5.136e-04 -5.933e-04 -3.641e-04 -1.714e-04 / + CHEB/ -1.358e-03 -3.570e-04 -2.187e-04 -1.026e-04 / + +! Reaction index: Chemkin #820; RMG #6253 +! PDep reaction: PDepNetwork #222 +! Flux pairs: C2HO3(990), OCHO(11); H(5), HCO(13); +H(5)+C2HO3(990)(+M)<=>HCO(13)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.505e+00 -7.248e-01 -1.430e-01 1.035e-02 / + CHEB/ 5.165e-01 6.424e-01 5.063e-02 -3.671e-02 / + CHEB/ 1.327e-02 1.208e-01 7.835e-02 3.822e-03 / + CHEB/ -6.984e-02 -1.491e-02 2.008e-02 1.560e-02 / + CHEB/ -6.981e-02 -3.041e-02 -6.132e-03 5.976e-03 / + CHEB/ -2.216e-02 -1.499e-02 -9.634e-03 -1.212e-03 / + +! Reaction index: Chemkin #821; RMG #646 +! Library reaction: CurranPentane +! Flux pairs: CH3CO2(73), CO2(9); CH3CO2(73), CH3(7); +CH3CO2(73)+M<=>CO2(9)+CH3(7)+M 4.400e+15 0.000 10.500 + + +! Reaction index: Chemkin #822; RMG #5724 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), O(16); CH3CO2(73), CH3CO(47); +CH3CO2(73)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.824e+01 1.306e+00 -1.009e-01 -2.613e-02 / + CHEB/ 3.163e+01 2.278e-01 9.936e-02 1.960e-02 / + CHEB/ -5.084e-01 2.357e-03 9.432e-03 8.473e-03 / + CHEB/ -1.906e-01 -1.539e-02 -7.295e-03 -1.431e-03 / + CHEB/ -3.995e-02 -8.008e-03 -4.786e-03 -2.017e-03 / + CHEB/ 4.245e-03 -1.092e-03 -9.860e-04 -6.953e-04 / + +! Reaction index: Chemkin #823; RMG #5733 +! PDep reaction: PDepNetwork #134 +! Flux pairs: HOCO(10), FA(1); HCO(13), CO(8); +HCO(13)+HOCO(10)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.012e+01 -1.161e+00 -5.035e-02 -1.692e-04 / + CHEB/ 1.734e+00 5.963e-01 -6.606e-02 -5.734e-03 / + CHEB/ 2.890e-01 3.364e-01 -5.649e-03 -1.060e-02 / + CHEB/ -3.261e-02 1.126e-01 2.625e-02 -6.666e-03 / + CHEB/ -5.733e-02 -1.537e-03 2.336e-02 3.958e-04 / + CHEB/ -3.048e-02 -2.996e-02 8.439e-03 3.540e-03 / + +! Reaction index: Chemkin #824; RMG #6142 +! PDep reaction: PDepNetwork #207 +! Flux pairs: OCHCO(63), HOCO(10); OH(3), HCO(13); +OH(3)+OCHCO(63)(+M)<=>HCO(13)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.329e+01 -6.350e-01 -1.658e-01 2.618e-03 / + CHEB/ 3.471e-01 5.197e-01 7.705e-02 -3.304e-02 / + CHEB/ 5.124e-03 1.097e-01 6.026e-02 7.188e-03 / + CHEB/ -4.549e-02 -6.692e-03 1.461e-02 1.106e-02 / + CHEB/ -3.672e-02 -2.302e-02 -4.991e-03 3.742e-03 / + CHEB/ -2.107e-02 -1.484e-02 -7.098e-03 -7.892e-04 / + +! Reaction index: Chemkin #825; RMG #7638 +! PDep reaction: PDepNetwork #317 +! Flux pairs: C2HO3(993), HOCO(10); H(5), HCO(13); +H(5)+C2HO3(993)(+M)<=>HCO(13)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.320e+01 -4.165e-01 -1.517e-01 -1.685e-02 / + CHEB/ 2.738e-01 3.964e-01 1.166e-01 -5.869e-03 / + CHEB/ -4.218e-02 4.446e-02 3.919e-02 1.667e-02 / + CHEB/ -6.262e-02 -2.049e-02 -1.806e-03 5.711e-03 / + CHEB/ -4.020e-02 -1.691e-02 -8.495e-03 -1.524e-03 / + CHEB/ -2.048e-02 -7.081e-03 -4.894e-03 -2.277e-03 / + +! Reaction index: Chemkin #826; RMG #6150 +! PDep reaction: PDepNetwork #210 +! Flux pairs: C2HO3(991), HOCO(10); H(5), HCO(13); +H(5)+C2HO3(991)(+M)<=>HCO(13)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.172e+01 -9.560e-01 -9.871e-02 8.797e-03 / + CHEB/ 6.950e-01 6.650e-01 -1.982e-02 -2.380e-02 / + CHEB/ 4.078e-01 2.390e-01 5.458e-02 -1.053e-02 / + CHEB/ 1.662e-01 4.780e-02 3.502e-02 7.309e-03 / + CHEB/ 3.445e-02 -1.599e-02 7.275e-03 7.598e-03 / + CHEB/ -1.951e-02 -3.224e-02 -4.512e-03 1.885e-03 / + +! Reaction index: Chemkin #827; RMG #5739 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)(O)O(1071), CH3O4(1023); CHO3(986), CH2O3(1000); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/NonDeC;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 8.0 +! family: H_Abstraction +CHO3(986)+OC(O)(O)O(1071)<=>CH2O3(1000)+CH3O4(1023) 2.796000e-01 3.750 19.545 + +! Reaction index: Chemkin #828; RMG #6395 +! PDep reaction: PDepNetwork #82 +! Flux pairs: O[CH]O(970), FA(1); CO(8), HCO(13); +CO(8)+O[CH]O(970)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.340e+00 -8.690e-01 -2.248e-01 -2.619e-02 / + CHEB/ 9.818e+00 7.481e-01 8.417e-02 -2.635e-02 / + CHEB/ 1.664e-01 2.917e-02 6.533e-02 7.391e-03 / + CHEB/ 3.941e-02 -3.062e-02 1.151e-02 1.688e-02 / + CHEB/ 1.917e-03 -1.011e-02 -4.604e-03 3.413e-03 / + CHEB/ 7.659e-03 1.037e-02 -1.025e-03 -2.467e-03 / +DUPLICATE + +! Reaction index: Chemkin #829; RMG #6200 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), FA(1); H(5), HCO(13); +H(5)+C2H2O3(976)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.018e+01 -1.758e-01 -8.174e-02 -2.097e-02 / + CHEB/ 3.430e+00 2.395e-01 1.037e-01 2.061e-02 / + CHEB/ 3.577e-02 -8.054e-02 -2.494e-02 2.865e-03 / + CHEB/ 2.428e-02 1.088e-02 -3.060e-03 -6.142e-03 / + CHEB/ -6.346e-03 -4.842e-03 1.228e-04 1.150e-03 / + CHEB/ -5.683e-04 3.907e-03 1.944e-03 8.217e-04 / + +! Reaction index: Chemkin #830; RMG #5759 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH3(7)+OCHCO(63)<=>CH4(20)+C2O2(1002) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #831; RMG #5339 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1070), C2HO2(1001); OH(3), H2O(17); +! Estimated using template [C/H2/OneDe;O_pri_rad] for rate rule [C/H2/OneDeO;O_pri_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+C2H2O2(1070)<=>H2O(17)+C2HO2(1001) 1.257458e+02 3.312 -2.924 + +! Reaction index: Chemkin #832; RMG #5448 +! PDep reaction: PDepNetwork #146 +! Flux pairs: CO2(9), C2H2O2(1070); CH2(S)(22), C2H2O2(1070); +CO2(9)+CH2(S)(22)(+M)<=>C2H2O2(1070)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.257e+01 5.132e-01 -8.385e-02 7.073e-03 / + CHEB/ -8.181e-01 5.954e-01 -2.274e-02 -1.427e-02 / + CHEB/ -5.068e-01 2.086e-01 3.393e-02 -6.433e-03 / + CHEB/ -2.205e-01 4.527e-02 2.156e-02 2.488e-03 / + CHEB/ -8.396e-02 -9.193e-04 5.695e-03 2.649e-03 / + CHEB/ -2.379e-02 -7.973e-03 -4.353e-04 7.875e-04 / + +! Reaction index: Chemkin #833; RMG #5753 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1070), C2HO2(1001); H(5), H2(6); +! Estimated using template [C/H2/OneDe;H_rad] for rate rule [C/H2/OneDeO;H_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(5)+C2H2O2(1070)<=>H2(6)+C2HO2(1001) 1.262676e+01 3.842 1.594 + +! Reaction index: Chemkin #834; RMG #5762 +! Template reaction: CO_Disproportionation +! Flux pairs: C2HO2(1001), C2H2O2(1070); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_4CO->C_Ext-5C-R +HCO(13)+C2HO2(1001)<=>CO(8)+C2H2O2(1070) 6.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #835; RMG #5763 +! Template reaction: Disproportionation +! Flux pairs: C2HO2(1001), C2H2O2(1070); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +HOCO(10)+C2HO2(1001)<=>CO2(9)+C2H2O2(1070) 2.855610e+13 -0.375 0.000 + +! Reaction index: Chemkin #836; RMG #5764 +! Template reaction: Disproportionation +! Flux pairs: C2HO2(1001), C2H2O2(1070); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2HO2(1001)<=>CO2(9)+C2H2O2(1070) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #837; RMG #5768 +! PDep reaction: PDepNetwork #188 +! Flux pairs: C2H2O2(1070), O-2(1040); C2H2O2(1070), CH2CO(30); +C2H2O2(1070)(+M)<=>O-2(1040)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.314e+01 1.510e+00 -6.438e-03 -3.008e-03 / + CHEB/ 4.218e+01 9.805e-03 5.970e-03 2.766e-03 / + CHEB/ -2.409e-01 -1.059e-04 -4.513e-05 -2.775e-06 / + CHEB/ -9.824e-02 -1.019e-04 -6.320e-05 -3.029e-05 / + CHEB/ -2.906e-02 -1.466e-04 -9.019e-05 -4.264e-05 / + CHEB/ -7.786e-03 -1.058e-04 -6.517e-05 -3.091e-05 / + +! Reaction index: Chemkin #838; RMG #7629 +! PDep reaction: PDepNetwork #315 +! Flux pairs: H(5), C2H2O2(1070); C2HO2(1001), C2H2O2(1070); +H(5)+C2HO2(1001)(+M)<=>C2H2O2(1070)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.131e+01 1.473e+00 -2.784e-02 -1.196e-02 / + CHEB/ -7.276e-01 4.981e-02 2.874e-02 1.191e-02 / + CHEB/ -2.257e-01 -2.751e-03 -1.113e-03 -2.963e-05 / + CHEB/ -7.049e-02 -1.349e-03 -8.488e-04 -4.094e-04 / + CHEB/ -1.102e-02 -6.948e-04 -4.323e-04 -2.094e-04 / + CHEB/ 9.227e-03 -3.060e-04 -1.920e-04 -9.430e-05 / + +! Reaction index: Chemkin #839; RMG #5772 +! Template reaction: Disproportionation +! Flux pairs: CH3O4(1023), OC(O)(O)O(1071); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+CH3O4(1023)<=>FA(1)+OC(O)(O)O(1071) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #840; RMG #5773 +! Template reaction: Disproportionation +! Flux pairs: CH3O4(1023), OC(O)(O)O(1071); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+CH3O4(1023)<=>FA(1)+OC(O)(O)O(1071) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #841; RMG #5776 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CH2OH(26)+C2HO3(990)<=>CH2O(12)+C2H2O3(976) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #842; RMG #5777 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2HO3(990)<=>CH2O(12)+C2H2O3(976) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #843; RMG #5783 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+CH3CO(47)<=>CH3OH(25)+CH2CO(30) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #844; RMG #5786 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH2OH(26)+CH3CO(47)<=>CH3OH(25)+CH2CO(30) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #845; RMG #4539 +! PDep reaction: PDepNetwork #24 +! Flux pairs: FA(1), OCO(1022); CH2O(12), CO(8); +CH2O(12)+FA(1)(+M)<=>CO(8)+OCO(1022)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.386e+01 -1.315e+00 -4.578e-02 4.888e-03 / + CHEB/ 1.979e+01 3.625e-01 -7.353e-02 5.259e-03 / + CHEB/ 7.100e-01 2.505e-01 -3.630e-02 -2.266e-03 / + CHEB/ 3.796e-02 1.309e-01 -3.072e-03 -6.409e-03 / + CHEB/ -9.746e-02 4.353e-02 1.346e-02 -5.545e-03 / + CHEB/ -7.217e-02 -1.016e-03 1.439e-02 -2.148e-03 / + +! Reaction index: Chemkin #846; RMG #4595 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), O[CH]O(970); H(5), H2(6); +! Estimated using template [C/H2/NonDeO;H_rad] for rate rule [C/H2/O2;H_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(5)+OCO(1022)<=>H2(6)+O[CH]O(970) 8.800000e+03 2.680 2.913 + +! Reaction index: Chemkin #847; RMG #4600 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), O[CH]O(970); OH(3), H2O(17); +! Estimated using template [C/H2/NonDeO;O_pri_rad] for rate rule [C/H2/O2;O_pri_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+OCO(1022)<=>H2O(17)+O[CH]O(970) 4.500000e+02 3.110 -2.666 + +! Reaction index: Chemkin #848; RMG #4724 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), HOCH2O(38); OH(3), H2O(17); +! From training reaction 196 used for O/H/NonDeC;O_pri_rad +! Exact match found for rate rule [O/H/NonDeC;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+OCO(1022)<=>H2O(17)+HOCH2O(38) 5.400000e+07 1.443 0.113 + +! Reaction index: Chemkin #849; RMG #5069 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), HOCH2O(38); H(5), H2(6); +! From training reaction 192 used for O/H/NonDeC;H_rad +! Exact match found for rate rule [O/H/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(5)+OCO(1022)<=>H2(6)+HOCH2O(38) 8.200000e+04 2.658 9.221 + +! Reaction index: Chemkin #850; RMG #5136 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), O[CH]O(970); OCHO(11), FA(1); +! Estimated using template [C/H2/NonDeO;O_sec_rad] for rate rule [C/H2/O2;O_rad/OneDeC] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OCHO(11)+OCO(1022)<=>FA(1)+O[CH]O(970) 1.640000e+04 2.550 10.750 + +! Reaction index: Chemkin #851; RMG #5137 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), O[CH]O(970); HOCO(10), FA(1); +! Estimated using template [C_sec;CO_rad/NonDe] for rate rule [C/H2/O2;CO_rad/NonDe] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HOCO(10)+OCO(1022)<=>FA(1)+O[CH]O(970) 5.300000e+06 2.000 43.853 + +! Reaction index: Chemkin #852; RMG #5471 +! PDep reaction: PDepNetwork #159 +! Flux pairs: OH(3), OCO(1022); CH2OH(26), OCO(1022); +OH(3)+CH2OH(26)(+M)<=>OCO(1022)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.362e+01 2.351e-01 -3.681e-02 1.928e-03 / + CHEB/ -4.777e-01 3.993e-01 -5.158e-02 -4.708e-04 / + CHEB/ -3.465e-01 2.521e-01 -1.362e-02 -5.131e-03 / + CHEB/ -2.146e-01 1.214e-01 8.634e-03 -4.322e-03 / + CHEB/ -1.186e-01 4.409e-02 1.177e-02 -1.015e-03 / + CHEB/ -6.066e-02 1.049e-02 6.891e-03 9.661e-04 / + +! Reaction index: Chemkin #853; RMG #5791 +! Template reaction: CO_Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+HOCH2O(38)<=>CO(8)+OCO(1022) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #854; RMG #5792 +! Template reaction: CO_Disproportionation +! Flux pairs: O[CH]O(970), OCO(1022); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C_Sp-5O-4C +HCO(13)+O[CH]O(970)<=>CO(8)+OCO(1022) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #855; RMG #5793 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+HOCH2O(38)<=>CO2(9)+OCO(1022) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #856; RMG #5794 +! Template reaction: Disproportionation +! Flux pairs: O[CH]O(970), OCO(1022); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +HOCO(10)+O[CH]O(970)<=>CO2(9)+OCO(1022) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #857; RMG #5795 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+HOCH2O(38)<=>CO2(9)+OCO(1022) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #858; RMG #5796 +! Template reaction: Disproportionation +! Flux pairs: O[CH]O(970), OCO(1022); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+O[CH]O(970)<=>CO2(9)+OCO(1022) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #859; RMG #6495 +! PDep reaction: PDepNetwork #244 +! Flux pairs: H(5), OCO(1022); HOCH2O(38), OCO(1022); +H(5)+HOCH2O(38)(+M)<=>OCO(1022)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.274e+01 5.119e-01 -8.992e-02 1.043e-02 / + CHEB/ -7.757e-01 6.462e-01 -3.679e-02 -1.586e-02 / + CHEB/ -4.983e-01 2.501e-01 4.258e-02 -1.381e-02 / + CHEB/ -2.624e-01 5.868e-02 3.626e-02 6.661e-04 / + CHEB/ -1.268e-01 -8.176e-04 1.368e-02 4.954e-03 / + CHEB/ -5.663e-02 -1.111e-02 1.835e-03 2.911e-03 / + +! Reaction index: Chemkin #860; RMG #5874 +! PDep reaction: PDepNetwork #197 +! Flux pairs: H(5), OCO(1022); O[CH]O(970), OCO(1022); +H(5)+O[CH]O(970)(+M)<=>OCO(1022)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.337e+01 3.401e-01 -4.773e-02 2.219e-03 / + CHEB/ -5.891e-01 5.519e-01 -5.691e-02 -2.942e-03 / + CHEB/ -4.603e-01 3.071e-01 1.229e-04 -8.310e-03 / + CHEB/ -2.706e-01 1.173e-01 2.298e-02 -4.361e-03 / + CHEB/ -1.383e-01 2.552e-02 1.752e-02 8.539e-04 / + CHEB/ -6.454e-02 -3.301e-03 6.729e-03 2.222e-03 / + +! Reaction index: Chemkin #861; RMG #105 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), HCOH(28); OH(3), H2(6); +OH(3)+CH3(7)<=>H2(6)+HCOH(28) 1.000e+00 0.000 0.000 + PLOG/ 0.001316 1.200e+09 0.830 -2.323 / + PLOG/ 0.013158 6.400e+09 0.633 -1.701 / + PLOG/ 0.131579 8.000e+10 0.340 -0.565 / + PLOG/ 1.315790 6.500e+11 0.112 0.932 / + PLOG/ 13.157900 2.100e+11 0.295 2.200 / + PLOG/ 131.579000 9.400e+07 1.286 2.424 / + +! Reaction index: Chemkin #862; RMG #216 +! Library reaction: NOx2018 +! Flux pairs: HCOH(28), CH2O(12); H(5), H(5); +H(5)+HCOH(28)<=>H(5)+CH2O(12) 1.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #863; RMG #217 +! Library reaction: NOx2018 +! Flux pairs: HCOH(28), HCO(13); H(5), H2(6); +H(5)+HCOH(28)<=>H2(6)+HCO(13) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #864; RMG #218 +! Library reaction: NOx2018 +! Flux pairs: HCOH(28), CO(8); H(5), H(5); H(5), H2(6); +H(5)+HCOH(28)<=>H(5)+H2(6)+CO(8) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #865; RMG #219 +! Library reaction: NOx2018 +! Flux pairs: HCOH(28), CO2(9); O(16), H(5); O(16), H(5); +O(16)+HCOH(28)<=>H(5)+H(5)+CO2(9) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #866; RMG #220 +! Library reaction: NOx2018 +! Flux pairs: HCOH(28), HCO(13); OH(3), H2O(17); +OH(3)+HCOH(28)<=>H2O(17)+HCO(13) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #867; RMG #221 +! Library reaction: NOx2018 +! Flux pairs: HCOH(28), CO(8); OH(3), H(5); OH(3), H2O(17); +OH(3)+HCOH(28)<=>H(5)+H2O(17)+CO(8) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #868; RMG #564 +! Library reaction: NOx2018 +! Flux pairs: OCHCHO(52), CO(8); OCHCHO(52), HCOH(28); +OCHCHO(52)<=>CO(8)+HCOH(28) 1.000e+00 0.000 0.000 + PLOG/ 0.009869 8.400e+52 -12.600 72.393 / + PLOG/ 0.049350 8.300e+54 -12.900 75.113 / + PLOG/ 0.098690 4.400e+55 -13.000 76.257 / + PLOG/ 0.493500 1.300e+57 -13.200 78.851 / + PLOG/ 0.986900 2.600e+57 -13.200 79.754 / + PLOG/ 4.935000 1.000e+57 -12.900 81.161 / + PLOG/ 9.869000 5.700e+59 -13.300 83.539 / + +! Reaction index: Chemkin #869; RMG #614 +! Library reaction: CurranPentane +! Flux pairs: HCOH(28), CO(8); O(16), H(5); O(16), OH(3); +O(16)+HCOH(28)=>H(5)+OH(3)+CO(8) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #870; RMG #615 +! Library reaction: CurranPentane +! Flux pairs: HCOH(28), CO2(9); O2(2), H(5); O2(2), OH(3); +O2(2)+HCOH(28)=>H(5)+OH(3)+CO2(9) 5.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #871; RMG #616 +! Library reaction: CurranPentane +! Flux pairs: HCOH(28), CO2(9); O2(2), H2O(17); +O2(2)+HCOH(28)<=>H2O(17)+CO2(9) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #872; RMG #4150 +! PDep reaction: PDepNetwork #1 +! Flux pairs: HCOH(28), CH2O(12); +HCOH(28)(+M)<=>CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.551e+00 2.151e+00 -3.528e-01 -5.286e-02 / + CHEB/ 9.235e+00 3.885e-01 1.137e-01 -7.914e-03 / + CHEB/ -5.329e-01 1.152e-01 4.666e-02 5.671e-03 / + CHEB/ -2.420e-01 2.514e-02 1.313e-02 3.504e-03 / + CHEB/ -1.010e-01 2.466e-03 2.101e-03 1.009e-03 / + CHEB/ -3.755e-02 -2.187e-03 -5.178e-04 1.703e-04 / + +! Reaction index: Chemkin #873; RMG #4151 +! PDep reaction: PDepNetwork #1 +! Flux pairs: HCOH(28), H2(6); HCOH(28), CO(8); +HCOH(28)(+M)<=>H2(6)+CO(8)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.101e+00 6.690e-01 -3.349e-01 -4.824e-02 / + CHEB/ 9.693e+00 4.308e-01 1.366e-01 -3.990e-05 / + CHEB/ -3.829e-01 1.275e-01 5.454e-02 9.287e-03 / + CHEB/ -1.869e-01 2.601e-02 1.423e-02 4.394e-03 / + CHEB/ -7.712e-02 1.841e-03 1.928e-03 1.098e-03 / + CHEB/ -2.649e-02 -2.067e-03 -4.315e-04 2.240e-04 / + +! Reaction index: Chemkin #874; RMG #4159 +! PDep reaction: PDepNetwork #1 +! Flux pairs: HCOH(28), H(5); HCOH(28), HCO(13); +HCOH(28)(+M)<=>H(5)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.969e+00 1.047e+00 -2.248e-01 -5.920e-02 / + CHEB/ 1.074e+01 3.383e-01 1.481e-01 2.957e-02 / + CHEB/ -3.077e-01 7.515e-02 4.026e-02 1.356e-02 / + CHEB/ -1.481e-01 4.977e-03 4.575e-03 2.915e-03 / + CHEB/ -5.799e-02 -4.563e-03 -1.744e-03 -6.663e-05 / + CHEB/ -1.711e-02 -3.369e-03 -1.562e-03 -3.532e-04 / + +! Reaction index: Chemkin #875; RMG #6281 +! PDep reaction: PDepNetwork #229 +! Flux pairs: O[C]1OO1(1008), CH2O3(1000); OH(3), O-2(1040); +OH(3)+O[C]1OO1(1008)(+M)<=>O-2(1040)+CH2O3(1000)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.371e+01 -2.366e-01 -1.157e-01 -3.280e-02 / + CHEB/ 7.415e-02 1.760e-01 7.802e-02 1.556e-02 / + CHEB/ -7.463e-03 4.655e-02 2.541e-02 8.965e-03 / + CHEB/ -3.060e-02 -1.196e-03 1.676e-03 2.341e-03 / + CHEB/ -2.906e-02 -1.154e-02 -5.118e-03 -8.820e-04 / + CHEB/ -2.003e-02 -8.300e-03 -4.375e-03 -1.431e-03 / + +! Reaction index: Chemkin #876; RMG #5804 +! PDep reaction: PDepNetwork #170 +! Flux pairs: CH2O3(1000), [O]C1(O)OO1(997); O-2(1040), H(5); +O-2(1040)+CH2O3(1000)(+M)<=>H(5)+[O]C1(O)OO1(997)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.074e+01 -1.645e-01 -8.621e-02 -2.892e-02 / + CHEB/ 1.918e+01 1.349e-01 6.674e-02 1.903e-02 / + CHEB/ -1.117e-01 3.085e-02 1.814e-02 7.614e-03 / + CHEB/ -5.771e-02 -3.070e-03 -3.986e-04 9.344e-04 / + CHEB/ -2.612e-02 -8.643e-03 -4.410e-03 -1.314e-03 / + CHEB/ -1.462e-02 -5.377e-03 -3.061e-03 -1.217e-03 / + +! Reaction index: Chemkin #877; RMG #5806 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+O[CH]O(970)<=>FA(1)+OCO(1022) 3.620000e+13 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #878; RMG #5807 +! Template reaction: Disproportionation +! Flux pairs: O[CH]O(970), OCO(1022); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+O[CH]O(970)<=>FA(1)+OCO(1022) 9.640000e+12 0.000 0.000 + +! Reaction index: Chemkin #879; RMG #5808 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+HOCH2O(38)<=>FA(1)+OCO(1022) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #880; RMG #5809 +! Template reaction: Disproportionation +! Flux pairs: O[CH]O(970), OCO(1022); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+O[CH]O(970)<=>FA(1)+OCO(1022) 2.712840e+10 0.470 0.000 +DUPLICATE + +! Reaction index: Chemkin #881; RMG #5810 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); HOCH2O(38), OCO(1022); +! From training reaction 200 used for Orad_O_H;O_rad/NonDeC +! Exact match found for rate rule [Orad_O_H;O_rad/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(4)+HOCH2O(38)<=>O2(2)+OCO(1022) 1.400000e+11 0.000 0.000 + +! Reaction index: Chemkin #882; RMG #5811 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); O[CH]O(970), OCO(1022); +! Estimated using template [X_H;C_rad/H/NonDeO] for rate rule [Orad_O_H;C_rad/H/O2] +! Euclidian distance = 2.23606797749979 +! family: H_Abstraction +HO2(4)+O[CH]O(970)<=>O2(2)+OCO(1022) 3.379463e-03 4.165 2.565 + +! Reaction index: Chemkin #883; RMG #5812 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+HOCH2O(38)<=>CH2O(12)+OCO(1022) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #884; RMG #5813 +! Template reaction: Disproportionation +! Flux pairs: O[CH]O(970), OCO(1022); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +CH2OH(26)+O[CH]O(970)<=>CH2O(12)+OCO(1022) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #885; RMG #5814 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+HOCH2O(38)<=>CH2O(12)+OCO(1022) 1.080000e+07 2.000 0.000 + +! Reaction index: Chemkin #886; RMG #5815 +! Template reaction: Disproportionation +! Flux pairs: O[CH]O(970), OCO(1022); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+O[CH]O(970)<=>CH2O(12)+OCO(1022) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #887; RMG #5816 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +HOCH2O(38)+O[C](O)O(1021)<=>CH2O3(1000)+OCO(1022) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #888; RMG #5817 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), CH2O3(1000); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[CH]O(970)+O[C](O)O(1021)<=>CH2O3(1000)+OCO(1022) 1.446000e+13 0.000 0.000 + +! Reaction index: Chemkin #889; RMG #5818 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +HOCH2O(38)+[O]C(O)O(972)<=>CH2O3(1000)+OCO(1022) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #890; RMG #5819 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +O[CH]O(970)+[O]C(O)O(972)<=>CH2O3(1000)+OCO(1022) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #891; RMG #4591 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(977), C2HO3(991); OH(3), H2O(17); +! Estimated using template [CO_sec;O_pri_rad] for rate rule [CO/H/OneDe;O_pri_rad] +! Euclidian distance = 1.0 +! family: H_Abstraction +OH(3)+C2H2O3(977)<=>H2O(17)+C2HO3(991) 2.800000e+12 0.000 -0.709 + +! Reaction index: Chemkin #892; RMG #4929 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(977), C2HO3(991); H(5), H2(6); +! Estimated using template [CO_sec;H_rad] for rate rule [CO/H/OneDe;H_rad] +! Euclidian distance = 1.0 +! family: H_Abstraction +H(5)+C2H2O3(977)<=>H2(6)+C2HO3(991) 1.300000e+05 2.580 1.219 + +! Reaction index: Chemkin #893; RMG #5723 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(977), C2HO3(993); OH(3), H2O(17); +! From training reaction 692 used for O/H/OneDeC;O_pri_rad +! Exact match found for rate rule [O/H/OneDeC;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+C2H2O3(977)<=>H2O(17)+C2HO3(993) 1.200000e+06 2.000 -0.250 + +! Reaction index: Chemkin #894; RMG #5732 +! PDep reaction: PDepNetwork #134 +! Flux pairs: HCO(13), C2H2O3(977); HOCO(10), C2H2O3(977); +HCO(13)+HOCO(10)(+M)<=>C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.268e+01 2.064e-01 -3.936e-02 1.759e-03 / + CHEB/ -5.738e-01 3.605e-01 -6.174e-02 2.418e-04 / + CHEB/ -3.124e-01 2.419e-01 -2.766e-02 -4.523e-03 / + CHEB/ -1.716e-01 1.225e-01 -7.290e-04 -5.521e-03 / + CHEB/ -8.030e-02 4.152e-02 9.703e-03 -3.053e-03 / + CHEB/ -2.890e-02 2.811e-03 8.421e-03 -2.224e-04 / + +! Reaction index: Chemkin #895; RMG #5834 +! PDep reaction: PDepNetwork #194 +! Flux pairs: C2H2O3(977), CO(8); C2H2O3(977), FA(1); +C2H2O3(977)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.378e+01 1.590e-01 -2.368e-02 -5.659e-04 / + CHEB/ 2.175e+01 2.903e-01 -4.048e-02 -1.794e-03 / + CHEB/ -2.181e-01 2.197e-01 -2.404e-02 -3.020e-03 / + CHEB/ -1.675e-01 1.352e-01 -7.032e-03 -3.424e-03 / + CHEB/ -9.430e-02 6.403e-02 3.531e-03 -2.476e-03 / + CHEB/ -4.179e-02 1.914e-02 6.291e-03 -8.488e-04 / + +! Reaction index: Chemkin #896; RMG #6140 +! PDep reaction: PDepNetwork #207 +! Flux pairs: OCHCO(63), FA(1); OH(3), CO(8); +OH(3)+OCHCO(63)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.260e+01 -6.333e-01 -1.648e-01 2.916e-03 / + CHEB/ 7.327e-01 5.231e-01 7.859e-02 -3.259e-02 / + CHEB/ 1.033e-01 1.113e-01 6.115e-02 7.531e-03 / + CHEB/ 4.385e-03 -6.714e-03 1.483e-02 1.126e-02 / + CHEB/ -1.192e-02 -2.351e-02 -5.129e-03 3.783e-03 / + CHEB/ -1.010e-02 -1.513e-02 -7.266e-03 -8.385e-04 / + +! Reaction index: Chemkin #897; RMG #7636 +! PDep reaction: PDepNetwork #317 +! Flux pairs: C2HO3(993), FA(1); H(5), CO(8); +H(5)+C2HO3(993)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.255e+01 -4.146e-01 -1.509e-01 -1.667e-02 / + CHEB/ 7.128e-01 3.980e-01 1.176e-01 -5.462e-03 / + CHEB/ 7.730e-02 4.413e-02 3.926e-02 1.687e-02 / + CHEB/ -5.482e-03 -2.118e-02 -2.113e-03 5.672e-03 / + CHEB/ -1.316e-02 -1.721e-02 -8.712e-03 -1.631e-03 / + CHEB/ -8.807e-03 -7.026e-03 -4.921e-03 -2.332e-03 / + +! Reaction index: Chemkin #898; RMG #6147 +! PDep reaction: PDepNetwork #210 +! Flux pairs: C2HO3(991), FA(1); H(5), CO(8); +H(5)+C2HO3(991)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.110e+01 -9.577e-01 -9.439e-02 8.886e-03 / + CHEB/ 1.009e+00 6.749e-01 -1.775e-02 -2.268e-02 / + CHEB/ 5.224e-01 2.503e-01 5.461e-02 -1.020e-02 / + CHEB/ 2.327e-01 5.071e-02 3.541e-02 7.289e-03 / + CHEB/ 6.685e-02 -1.899e-02 7.364e-03 7.669e-03 / + CHEB/ -6.203e-03 -3.607e-02 -4.864e-03 1.911e-03 / + +! Reaction index: Chemkin #899; RMG #6139 +! PDep reaction: PDepNetwork #207 +! Flux pairs: OH(3), C2H2O3(977); OCHCO(63), C2H2O3(977); +OH(3)+OCHCO(63)(+M)<=>C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.307e+01 8.537e-01 -1.729e-01 3.102e-03 / + CHEB/ -7.470e-01 4.972e-01 6.364e-02 -3.586e-02 / + CHEB/ -3.277e-01 1.160e-01 5.669e-02 3.351e-03 / + CHEB/ -1.228e-01 3.744e-03 1.729e-02 9.709e-03 / + CHEB/ -3.017e-02 -1.797e-02 -1.782e-03 4.437e-03 / + CHEB/ 4.844e-03 -1.451e-02 -5.649e-03 2.681e-04 / + +! Reaction index: Chemkin #900; RMG #7634 +! PDep reaction: PDepNetwork #317 +! Flux pairs: H(5), C2H2O3(977); C2HO3(993), C2H2O3(977); +H(5)+C2HO3(993)(+M)<=>C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.246e+01 1.090e+00 -1.561e-01 -1.697e-02 / + CHEB/ -7.669e-01 3.929e-01 1.124e-01 -8.030e-03 / + CHEB/ -3.392e-01 5.131e-02 4.080e-02 1.582e-02 / + CHEB/ -1.200e-01 -1.583e-02 7.128e-04 6.326e-03 / + CHEB/ -2.441e-02 -1.618e-02 -7.469e-03 -7.880e-04 / + CHEB/ 9.685e-03 -8.028e-03 -5.056e-03 -2.025e-03 / + +! Reaction index: Chemkin #901; RMG #6146 +! PDep reaction: PDepNetwork #210 +! Flux pairs: H(5), C2H2O3(977); C2HO3(991), C2H2O3(977); +H(5)+C2HO3(991)(+M)<=>C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.220e+01 4.420e-01 -9.171e-02 9.810e-03 / + CHEB/ -1.034e+00 5.500e-01 -3.881e-02 -1.927e-02 / + CHEB/ -8.940e-02 2.614e-01 2.967e-02 -1.355e-02 / + CHEB/ 5.006e-02 1.138e-01 2.850e-02 1.501e-03 / + CHEB/ 3.576e-02 3.367e-02 1.468e-02 5.444e-03 / + CHEB/ 1.384e-02 -1.300e-02 4.820e-03 3.177e-03 / + +! Reaction index: Chemkin #902; RMG #5841 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); CH2(21), CH3(7); +! Estimated using average of templates [X_H;CH2_triplet] + [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;CH2_triplet] +! Euclidian distance = 2.0 +! family: H_Abstraction +HO2(4)+CH2(21)<=>O2(2)+CH3(7) 1.298078e+08 0.805 1.370 + +! Reaction index: Chemkin #903; RMG #5842 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(977), C2HO3(991); O(16), OH(3); +! Estimated using template [CO_sec;O_atom_triplet] for rate rule [CO/H/OneDe;O_atom_triplet] +! Euclidian distance = 1.0 +! family: H_Abstraction +O(16)+C2H2O3(977)<=>OH(3)+C2HO3(991) 5.800000e+12 0.000 1.808 + +! Reaction index: Chemkin #904; RMG #5844 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), O[CH]O(970); O(16), OH(3); +! Estimated using template [C/H2/NonDeO;O_atom_triplet] for rate rule [C/H2/O2;O_atom_triplet] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +O(16)+OCO(1022)<=>OH(3)+O[CH]O(970) 1.500000e+05 2.470 0.876 + +! Reaction index: Chemkin #905; RMG #5846 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(976), C2HO3(990); O(16), OH(3); +! Estimated using an average for rate rule [CO/H/NonDe;O_atom_triplet] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +O(16)+C2H2O3(976)<=>OH(3)+C2HO3(990) 1.160000e+13 0.000 1.808 + +! Reaction index: Chemkin #906; RMG #5852 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); O2(2), HO2(4); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2(2)+OCHCO(63)<=>HO2(4)+C2O2(1002) 1.889016e+10 0.509 36.210 + +! Reaction index: Chemkin #907; RMG #5853 +! Template reaction: H_Abstraction +! Flux pairs: H(5), H2(6); HO2CHO(68), CHO3(1009); +! Estimated using an average for rate rule [CO/H/NonDe;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+HO2CHO(68)<=>H2(6)+CHO3(1009) 1.300000e+05 2.580 1.219 + +! Reaction index: Chemkin #908; RMG #5856 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)(O)O(1071), CH3O4(1023); H(5), H2(6); +! From training reaction 192 used for O/H/NonDeC;H_rad +! Exact match found for rate rule [O/H/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +H(5)+OC(O)(O)O(1071)<=>H2(6)+CH3O4(1023) 1.640000e+05 2.658 9.221 + +! Reaction index: Chemkin #909; RMG #5861 +! Template reaction: CO_Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+C2HO3(993)<=>CO(8)+C2H2O3(977) 1.806000e+14 0.000 0.000 + +! Reaction index: Chemkin #910; RMG #5862 +! Template reaction: CO_Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Ext-4CO-R +HCO(13)+C2HO3(991)<=>CO(8)+C2H2O3(977) 1.200000e+14 0.000 0.000 + +! Reaction index: Chemkin #911; RMG #5863 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+C2HO3(993)<=>CO2(9)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #912; RMG #5864 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+C2HO3(991)<=>CO2(9)+C2H2O3(977) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #913; RMG #5865 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2HO3(993)<=>CO2(9)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #914; RMG #5866 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2HO3(991)<=>CO2(9)+C2H2O3(977) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #915; RMG #5873 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+OCHCO(63)<=>H2O2(18)+C2O2(1002) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #916; RMG #4426 +! Template reaction: intra_OH_migration +! Flux pairs: C2HO3(1017), C2HO3(991); +! Estimated using template [RnOOH;Y_rad_out] for rate rule [ROOH;Cd_rad_out] +! Euclidian distance = 1.4142135623730951 +! family: intra_OH_migration +C2HO3(1017)<=>C2HO3(991) 4.729062e+10 0.000 22.631 + +! Reaction index: Chemkin #917; RMG #4958 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: OH(3), C2HO3(1017); C2O2(1002), C2HO3(1017); +! Estimated using template [R_R;OJ_pri] for rate rule [Od_Cdd;OJ_pri] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: R_Addition_MultipleBond +! Ea raised from 73.2 to 78.2 kJ/mol to match endothermicity of reaction. +OH(3)+C2O2(1002)<=>C2HO3(1017) 2.243787e+13 -0.377 18.679 + +! Reaction index: Chemkin #918; RMG #6497 +! PDep reaction: PDepNetwork #244 +! Flux pairs: HOCH2O(38), O[CH]O(970); H(5), H(5); +H(5)+HOCH2O(38)(+M)<=>H(5)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.139e+01 -8.238e-01 -9.433e-02 8.561e-03 / + CHEB/ 1.198e+00 7.536e-01 1.138e-02 -2.150e-02 / + CHEB/ 1.399e-01 1.548e-01 7.376e-02 -2.718e-03 / + CHEB/ -2.142e-02 -3.712e-02 2.551e-02 1.161e-02 / + CHEB/ -1.203e-02 -3.934e-02 -6.889e-03 5.890e-03 / + CHEB/ -5.471e-03 -1.532e-02 -9.175e-03 -5.650e-04 / + +! Reaction index: Chemkin #919; RMG #476 +! Library reaction: NOx2018 +! Flux pairs: CH2CO(30), HCCO(53); H(5), H2(6); +H(5)+CH2CO(30)<=>H2(6)+HCCO(53) 3.000000e+07 2.000 10.000 + +! Reaction index: Chemkin #920; RMG #480 +! Library reaction: NOx2018 +! Flux pairs: CH2CO(30), HCCO(53); OH(3), H2O(17); +OH(3)+CH2CO(30)<=>H2O(17)+HCCO(53) 1.000000e+07 2.000 3.000 + +! Reaction index: Chemkin #921; RMG #485 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), CO(8); H(5), CH2(S)(22); +H(5)+HCCO(53)<=>CO(8)+CH2(S)(22) 1.500000e+14 0.000 0.000 + +! Reaction index: Chemkin #922; RMG #486 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), CO(8); O(16), H(5); O(16), CO(8); +O(16)+HCCO(53)<=>H(5)+CO(8)+CO(8) 1.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #923; RMG #488 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), CH2CO(30); OH(3), O(16); +OH(3)+HCCO(53)<=>O(16)+CH2CO(30) 1.300000e+06 1.990 11.280 + +! Reaction index: Chemkin #924; RMG #489 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), HCOH(28); OH(3), CO(8); +OH(3)+HCCO(53)<=>CO(8)+HCOH(28) 1.000e+00 0.000 0.000 + PLOG/ 1.000000 3.000e+16 -0.935 0.659 / + PLOG/ 10.000000 1.100e+18 -1.392 1.395 / + PLOG/ 100.000000 3.200e+18 -1.523 1.627 / + +! Reaction index: Chemkin #925; RMG #490 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), HCOH(28); OH(3), CO(8); +OH(3)+HCCO(53)<=>CO(8)+HCOH(28) 1.000e+00 0.000 0.000 + PLOG/ 1.000000 8.700e+19 -1.792 5.994 / + PLOG/ 10.000000 3.500e+22 -2.475 9.163 / + PLOG/ 100.000000 1.300e+24 -2.902 10.522 / +DUPLICATE + +! Reaction index: Chemkin #926; RMG #491 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), HCOH(28); OH(3), CO(8); +OH(3)+HCCO(53)<=>CO(8)+HCOH(28) 2.900000e+12 0.370 -0.024 + +! Reaction index: Chemkin #927; RMG #492 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), CH2O(12); OH(3), CO(8); +OH(3)+HCCO(53)<=>CO(8)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 1.000000 1.200e+21 -2.459 2.528 / + PLOG/ 100.000000 1.100e+08 0.110 0.052 / + +! Reaction index: Chemkin #928; RMG #493 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), OCHCO(63); OH(3), H(5); +OH(3)+HCCO(53)<=>H(5)+OCHCO(63) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.600e+08 1.410 0.845 / + PLOG/ 0.100000 2.600e+08 1.410 0.845 / + PLOG/ 1.000000 2.600e+08 1.410 0.849 / + PLOG/ 10.000000 3.000e+08 1.400 0.917 / + PLOG/ 100.000000 8.200e+08 1.280 1.531 / + +! Reaction index: Chemkin #929; RMG #494 +! Library reaction: NOx2018 +OH(3)+HCCO(53)<=>CO2(9)+CH2(21) 1.000e+00 0.000 0.000 + PLOG/ 0.100000 1.700e+15 -1.190 -0.521 / + PLOG/ 1.000000 7.200e+27 -5.023 2.468 / + PLOG/ 10.000000 1.000e+91 -20.137 114.841 / +DUPLICATE +! Reaction index: Chemkin #930; RMG #494 +! Library reaction: NOx2018 +OH(3)+HCCO(53)<=>CO2(9)+CH2(21) 1.000e+00 0.000 0.000 + PLOG/ 0.100000 -7.400e+17 -1.920 1.686 / + PLOG/ 1.000000 1.100e+21 -2.280 16.960 / + PLOG/ 10.000000 2.300e+65 -16.078 19.592 / +DUPLICATE +! Reaction index: Chemkin #931; RMG #494 +! Library reaction: NOx2018 +OH(3)+HCCO(53)<=>CO2(9)+CH2(21) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.000e+19 -2.080 0.044 / + PLOG/ 0.100000 1.400e+19 -2.120 0.088 / + PLOG/ 1.000000 7.100e+19 -2.300 0.824 / + PLOG/ 10.000000 1.800e+20 -2.340 2.421 / +DUPLICATE + + +! Reaction index: Chemkin #932; RMG #495 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), CO2(9); O2(2), H(5); O2(2), CO(8); +O2(2)+HCCO(53)<=>H(5)+CO(8)+CO2(9) 4.900000e+12 -0.142 1.150 + +! Reaction index: Chemkin #933; RMG #496 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), CO(8); O2(2), OH(3); O2(2), CO(8); +O2(2)+HCCO(53)<=>OH(3)+CO(8)+CO(8) 1.600000e+11 -0.020 1.020 + +! Reaction index: Chemkin #934; RMG #497 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), HCO(13); O2(2), O(16); O2(2), CO(8); +O2(2)+HCCO(53)<=>O(16)+CO(8)+HCO(13) 2.200000e+02 2.690 3.540 + +! Reaction index: Chemkin #935; RMG #655 +! Library reaction: CurranPentane +! Flux pairs: HCCO(53), CO(8); OH(3), H2(6); OH(3), CO(8); +OH(3)+HCCO(53)=>H2(6)+CO(8)+CO(8) 1.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #936; RMG #4307 +! PDep reaction: PDepNetwork #41 +! Flux pairs: HCO(13), HCCO(53); CO(8), O(16); +CO(8)+HCO(13)(+M)<=>O(16)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.901e+01 -9.987e-07 -6.165e-07 -2.936e-07 / + CHEB/ 3.840e+01 9.072e-07 5.598e-07 2.665e-07 / + CHEB/ 3.895e-02 -3.265e-07 -2.014e-07 -9.583e-08 / + CHEB/ -3.050e-03 1.381e-08 8.476e-09 3.990e-09 / + CHEB/ -1.199e-02 2.477e-08 1.528e-08 7.263e-09 / + CHEB/ -1.115e-02 -5.054e-08 -3.116e-08 -1.480e-08 / + +! Reaction index: Chemkin #937; RMG #4471 +! PDep reaction: PDepNetwork #70 +! Flux pairs: OCHCO(63), O(16); OCHCO(63), HCCO(53); +OCHCO(63)(+M)<=>O(16)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.061e+01 1.521e+00 -6.203e-07 -2.954e-07 / + CHEB/ 3.721e+01 9.027e-07 5.571e-07 2.651e-07 / + CHEB/ 2.923e-02 -3.301e-07 -2.036e-07 -9.689e-08 / + CHEB/ -1.039e-02 1.181e-08 7.241e-09 3.401e-09 / + CHEB/ -2.836e-02 2.381e-08 1.468e-08 6.979e-09 / + CHEB/ -9.465e-03 -5.107e-08 -3.148e-08 -1.495e-08 / + +! Reaction index: Chemkin #938; RMG #4842 +! PDep reaction: PDepNetwork #41 +! Flux pairs: HCO(13), HCCO(53); CO(8), O-2(1040); +CO(8)+HCO(13)(+M)<=>O-2(1040)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.969e+01 -6.842e-04 -4.222e-04 -2.010e-04 / + CHEB/ 5.270e+01 6.203e-04 3.826e-04 1.820e-04 / + CHEB/ 4.877e-02 -1.786e-04 -1.101e-04 -5.230e-05 / + CHEB/ 1.384e-02 3.231e-05 1.992e-05 9.462e-06 / + CHEB/ -3.022e-03 9.400e-06 5.788e-06 2.743e-06 / + CHEB/ -1.011e-02 -9.783e-05 -6.036e-05 -2.872e-05 / + +! Reaction index: Chemkin #939; RMG #4846 +! PDep reaction: PDepNetwork #70 +! Flux pairs: OCHCO(63), O-2(1040); OCHCO(63), HCCO(53); +OCHCO(63)(+M)<=>O-2(1040)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.137e+01 1.520e+00 -4.223e-04 -2.010e-04 / + CHEB/ 5.151e+01 6.202e-04 3.826e-04 1.820e-04 / + CHEB/ 4.175e-02 -1.787e-04 -1.102e-04 -5.231e-05 / + CHEB/ 7.696e-03 3.228e-05 1.990e-05 9.452e-06 / + CHEB/ -1.883e-02 9.370e-06 5.770e-06 2.734e-06 / + CHEB/ -8.236e-03 -9.786e-05 -6.038e-05 -2.873e-05 / + +! Reaction index: Chemkin #940; RMG #4876 +! PDep reaction: PDepNetwork #115 +! Flux pairs: C2HO2(1001), O-2(1040); C2HO2(1001), HCCO(53); +C2HO2(1001)(+M)<=>O-2(1040)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.247e+01 1.520e+00 -4.205e-04 -2.002e-04 / + CHEB/ 4.898e+01 6.225e-04 3.840e-04 1.827e-04 / + CHEB/ -1.283e-01 -1.774e-04 -1.093e-04 -5.191e-05 / + CHEB/ -8.209e-02 3.298e-05 2.033e-05 9.657e-06 / + CHEB/ -7.110e-03 9.982e-06 6.147e-06 2.914e-06 / + CHEB/ 6.394e-02 -9.714e-05 -5.994e-05 -2.852e-05 / + +! Reaction index: Chemkin #941; RMG #4899 +! PDep reaction: PDepNetwork #115 +! Flux pairs: C2HO2(1001), O(16); C2HO2(1001), HCCO(53); +C2HO2(1001)(+M)<=>O(16)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.760e+01 1.519e+00 -7.434e-04 -3.535e-04 / + CHEB/ 3.467e+01 1.148e-03 7.077e-04 3.361e-04 / + CHEB/ -1.932e-01 -3.084e-04 -1.898e-04 -8.989e-05 / + CHEB/ -1.086e-01 6.644e-05 4.089e-05 1.936e-05 / + CHEB/ -1.769e-02 2.099e-05 1.290e-05 6.088e-06 / + CHEB/ 4.800e-02 -1.720e-04 -1.061e-04 -5.037e-05 / + +! Reaction index: Chemkin #942; RMG #4973 +! PDep reaction: PDepNetwork #137 +! Flux pairs: C2O2(1002), HCCO(53); H(5), O(16); +H(5)+C2O2(1002)(+M)<=>O(16)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.335e+00 -8.321e-07 -5.136e-07 -2.446e-07 / + CHEB/ 1.054e+01 9.619e-07 5.937e-07 2.826e-07 / + CHEB/ 2.692e-02 -2.724e-07 -1.680e-07 -7.992e-08 / + CHEB/ 1.035e-02 3.688e-08 2.273e-08 1.079e-08 / + CHEB/ 4.572e-03 3.070e-08 1.894e-08 9.009e-09 / + CHEB/ 2.692e-03 -4.568e-08 -2.816e-08 -1.337e-08 / + +! Reaction index: Chemkin #943; RMG #4977 +! PDep reaction: PDepNetwork #137 +! Flux pairs: C2O2(1002), HCCO(53); H(5), O-2(1040); +H(5)+C2O2(1002)(+M)<=>O-2(1040)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.400e+01 -6.810e-04 -4.203e-04 -2.000e-04 / + CHEB/ 2.441e+01 6.229e-04 3.843e-04 1.828e-04 / + CHEB/ -1.263e-01 -1.771e-04 -1.092e-04 -5.185e-05 / + CHEB/ -3.927e-02 3.309e-05 2.040e-05 9.689e-06 / + CHEB/ -1.357e-02 1.008e-05 6.205e-06 2.942e-06 / + CHEB/ -4.480e-03 -9.704e-05 -5.987e-05 -2.848e-05 / + +! Reaction index: Chemkin #944; RMG #6513 +! PDep reaction: PDepNetwork #248 +! Flux pairs: H(5), CH2CO(30); HCCO(53), CH2CO(30); +H(5)+HCCO(53)(+M)<=>CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.346e+01 2.651e-01 -5.016e-02 4.258e-03 / + CHEB/ -5.180e-01 3.803e-01 -5.056e-02 -3.315e-03 / + CHEB/ -3.697e-01 1.771e-01 -1.715e-03 -5.989e-03 / + CHEB/ -1.866e-01 6.112e-02 9.201e-03 -1.947e-03 / + CHEB/ -7.518e-02 1.943e-02 4.999e-03 4.041e-04 / + CHEB/ -2.128e-02 7.373e-03 1.656e-03 4.025e-04 / + +! Reaction index: Chemkin #945; RMG #5588 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+HCCO(53)<=>FA(1)+CH2CO(30) 6.020000e+13 0.000 0.000 + +! Reaction index: Chemkin #946; RMG #5589 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+HCCO(53)<=>FA(1)+CH2CO(30) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #947; RMG #5591 +! Template reaction: CO_Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_N-Sp-5C-4CO +HCO(13)+HCCO(53)<=>CO(8)+CH2CO(30) 9.033000e+13 0.000 0.000 + +! Reaction index: Chemkin #948; RMG #5592 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +HOCO(10)+HCCO(53)<=>CO2(9)+CH2CO(30) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #949; RMG #5593 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+HCCO(53)<=>CO2(9)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #950; RMG #5619 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+HCCO(53)<=>CH2O3(1000)+CH2CO(30) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #951; RMG #5620 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+HCCO(53)<=>CH2O3(1000)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #952; RMG #5632 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +CH2OH(26)+HCCO(53)<=>CH2O(12)+CH2CO(30) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #953; RMG #5633 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+HCCO(53)<=>CH2O(12)+CH2CO(30) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #954; RMG #6512 +! PDep reaction: PDepNetwork #248 +! Flux pairs: H(5), CHCHO(51); HCCO(53), CHCHO(51); +H(5)+HCCO(53)(+M)<=>CHCHO(51)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.309e+01 2.968e-01 -5.533e-02 2.201e-03 / + CHEB/ 8.178e-02 4.358e-01 -4.789e-02 -3.860e-03 / + CHEB/ -3.386e-02 1.986e-01 1.556e-03 -6.674e-03 / + CHEB/ -9.081e-02 6.685e-02 1.180e-02 -1.520e-03 / + CHEB/ -8.244e-02 2.022e-02 5.994e-03 8.840e-04 / + CHEB/ -5.008e-02 7.366e-03 2.001e-03 6.344e-04 / + +! Reaction index: Chemkin #955; RMG #6514 +! PDep reaction: PDepNetwork #248 +! Flux pairs: H(5), C2H2O(1085); HCCO(53), C2H2O(1085); +H(5)+HCCO(53)(+M)<=>C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.158e+01 3.453e-01 -5.795e-02 1.738e-03 / + CHEB/ -8.703e-02 5.006e-01 -4.626e-02 -5.428e-03 / + CHEB/ -2.050e-01 2.202e-01 6.719e-03 -7.024e-03 / + CHEB/ -1.082e-01 6.790e-02 1.462e-02 -9.129e-04 / + CHEB/ -3.932e-02 1.728e-02 6.471e-03 1.311e-03 / + CHEB/ -1.168e-02 5.279e-03 1.885e-03 6.978e-04 / + +! Reaction index: Chemkin #956; RMG #5886 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); CHCHO(51), HCCO(53); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +H(5)+CHCHO(51)<=>H2(6)+HCCO(53) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #957; RMG #5890 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); CHCHO(51), HCCO(53); +! Estimated from node Root_Ext-1R!H-R +OH(3)+CHCHO(51)<=>H2O(17)+HCCO(53) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #958; RMG #93 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), H2(6); CH3(7), CH(23); +CH3(7)+M<=>H2(6)+CH(23)+M 3.100e+15 0.000 80.871 + + +! Reaction index: Chemkin #959; RMG #119 +! Library reaction: NOx2018 +! Flux pairs: CH2(21), H(5); CH2(21), CH(23); +CH2(21)+M<=>H(5)+CH(23)+M 5.600e+15 0.000 89.000 + + +! Reaction index: Chemkin #960; RMG #121 +! Library reaction: NOx2018 +H(5)+CH2(21)<=>H2(6)+CH(23) 1.600000e+14 0.000 0.000 +DUPLICATE +! Reaction index: Chemkin #961; RMG #121 +! Library reaction: NOx2018 +H(5)+CH2(21)<=>H2(6)+CH(23) 3.000000e+13 0.000 0.000 +DUPLICATE + + +! Reaction index: Chemkin #962; RMG #125 +! Library reaction: NOx2018 +! Flux pairs: CH2(21), CH(23); OH(3), H2O(17); +OH(3)+CH2(21)<=>H2O(17)+CH(23) 8.600000e+05 2.019 6.776 + +! Reaction index: Chemkin #963; RMG #139 +! Library reaction: NOx2018 +! Flux pairs: CH(23), CO(8); O(16), H(5); +O(16)+CH(23)<=>H(5)+CO(8) 5.700000e+13 0.000 0.000 + +! Reaction index: Chemkin #964; RMG #140 +! Library reaction: NOx2018 +! Flux pairs: CH(23), HCO(13); OH(3), H(5); +OH(3)+CH(23)<=>H(5)+HCO(13) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #965; RMG #141 +! Library reaction: NOx2018 +! Flux pairs: CH(23), CO(8); OH(3), H(5); OH(3), H(5); +OH(3)+CH(23)<=>H(5)+H(5)+CO(8) 1.800000e+23 -2.473 19.927 + +! Reaction index: Chemkin #966; RMG #143 +! Library reaction: NOx2018 +! Flux pairs: CH(23), HCO(13); O2(2), O(16); +O2(2)+CH(23)<=>O(16)+HCO(13) 9.700000e+13 0.000 0.000 + +! Reaction index: Chemkin #967; RMG #144 +! Library reaction: NOx2018 +! Flux pairs: CH(23), CO(8); O2(2), H(5); O2(2), O(16); +O2(2)+CH(23)<=>O(16)+H(5)+CO(8) 2.000000e+23 -2.473 19.927 + +! Reaction index: Chemkin #968; RMG #145 +! Library reaction: NOx2018 +! Flux pairs: CH(23), CH2O(12); H2O(17), H(5); +H2O(17)+CH(23)<=>H(5)+CH2O(12) 2.800000e+07 1.590 -2.610 + +! Reaction index: Chemkin #969; RMG #146 +! Library reaction: NOx2018 +! Flux pairs: CO2(9), HCO(13); CH(23), CO(8); +CO2(9)+CH(23)<=>CO(8)+HCO(13) 8.800000e+06 1.750 -1.040 + +! Reaction index: Chemkin #970; RMG #147 +! Library reaction: NOx2018 +! Flux pairs: CO2(9), CO(8); CH(23), H(5); CH(23), CO(8); +CO2(9)+CH(23)<=>H(5)+CO(8)+CO(8) 5.300000e+16 -0.723 18.887 + +! Reaction index: Chemkin #971; RMG #148 +! Library reaction: NOx2018 +! Flux pairs: CH2O(12), CH2CO(30); CH(23), H(5); +CH(23)+CH2O(12)<=>H(5)+CH2CO(30) 9.500000e+13 0.000 -0.517 + +! Reaction index: Chemkin #972; RMG #484 +! Library reaction: NOx2018 +! Flux pairs: CO(8), HCCO(53); CH(23), HCCO(53); +CO(8)+CH(23)(+M)<=>HCCO(53)(+M) 5.000e+13 0.000 0.000 +CH4(20)/2.00/ CO2(9)/2.00/ H2O(17)/6.00/ H2(6)/2.00/ N2/1.00/ CO(8)/1.50/ Ar(14)/0.70/ + LOW/ 2.700e+28 -3.740 1.936 / + TROE/ 5.757e-01 237 1.65e+03 5.07e+03 / + +! Reaction index: Chemkin #973; RMG #618 +! Library reaction: CurranPentane +H(5)+CH2(S)(22)<=>H2(6)+CH(23) 3.000000e+13 0.000 0.000 +DUPLICATE +! Reaction index: Chemkin #974; RMG #618 +! Library reaction: CurranPentane +H(5)+CH2(S)(22)<=>H2(6)+CH(23) 3.000000e+13 0.000 0.000 +DUPLICATE + + +! Reaction index: Chemkin #975; RMG #3391 +! Library reaction: FFCM1(-) +! Flux pairs: CH(23), CO2(9); O2(2), H(5); +O2(2)+CH(23)<=>H(5)+CO2(9) 2.781000e+08 1.430 1.200 + +! Reaction index: Chemkin #976; RMG #3392 +! Library reaction: FFCM1(-) +! Flux pairs: CH(23), CO(8); O2(2), OH(3); +O2(2)+CH(23)<=>OH(3)+CO(8) 1.840000e+08 1.430 1.200 + +! Reaction index: Chemkin #977; RMG #3408 +! Library reaction: FFCM1(-) +! Flux pairs: CH3OH(25), CH2O(12); CH(23), CH3(7); +CH(23)+CH3OH(25)<=>CH2O(12)+CH3(7) 9.040000e+18 -1.930 0.000 + +! Reaction index: Chemkin #978; RMG #3413 +! Library reaction: FFCM1(-) +! Flux pairs: HCCO(53), CO2(9); O(16), CH(23); +O(16)+HCCO(53)<=>CO2(9)+CH(23) 2.950000e+13 0.000 1.113 + +! Reaction index: Chemkin #979; RMG #5164 +! Template reaction: CO_Disproportionation +! Flux pairs: CH(23), CH2(S)(22); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_4CO->C +CH(23)+HCO(13)<=>CO(8)+CH2(S)(22) 4.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #980; RMG #5166 +! Template reaction: Disproportionation +! Flux pairs: CH(23), CH2(S)(22); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +CH(23)+HOCO(10)<=>CO2(9)+CH2(S)(22) 8.490000e+13 0.000 0.000 + +! Reaction index: Chemkin #981; RMG #5167 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); CH(23), CH2(S)(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH(23)+OCHO(11)<=>CO2(9)+CH2(S)(22) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #982; RMG #7446 +! PDep reaction: PDepNetwork #286 +! Flux pairs: H(5), CH2(S)(22); CH(23), CH2(S)(22); +H(5)+CH(23)(+M)<=>CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.224e+01 1.252e+00 -7.967e-02 -7.159e-03 / + CHEB/ -8.425e-01 1.781e-01 5.168e-02 3.412e-03 / + CHEB/ -2.446e-01 1.776e-02 5.825e-03 3.082e-05 / + CHEB/ -9.586e-02 1.392e-02 -2.135e-03 -5.562e-04 / + CHEB/ -1.540e-02 -2.378e-02 4.751e-03 2.493e-03 / + CHEB/ -3.841e-02 2.782e-02 -4.554e-03 -2.898e-03 / + +! Reaction index: Chemkin #983; RMG #5893 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); C2HO3(990), C2H2O3(976); +! Estimated using template [X_H;CO_rad/NonDe] for rate rule [Orad_O_H;CO_rad/NonDe] +! Euclidian distance = 2.0 +! family: H_Abstraction +HO2(4)+C2HO3(990)<=>O2(2)+C2H2O3(976) 2.759401e+04 2.254 36.997 + +! Reaction index: Chemkin #984; RMG #5545 +! Template reaction: H_Abstraction +! Flux pairs: OC1(O)OO1(1081), [O]C1(O)OO1(997); OH(3), H2O(17); +! From training reaction 196 used for O/H/NonDeC;O_pri_rad +! Exact match found for rate rule [O/H/NonDeC;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+OC1(O)OO1(1081)<=>H2O(17)+[O]C1(O)OO1(997) 5.400000e+07 1.443 0.113 + +! Reaction index: Chemkin #985; RMG #5802 +! PDep reaction: PDepNetwork #170 +! Flux pairs: O-2(1040), OC1(O)OO1(1081); CH2O3(1000), OC1(O)OO1(1081); +O-2(1040)+CH2O3(1000)(+M)<=>OC1(O)OO1(1081)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.256e+01 2.168e-01 -3.763e-02 2.732e-04 / + CHEB/ -3.744e-01 3.809e-01 -5.969e-02 -1.864e-03 / + CHEB/ -2.779e-01 2.584e-01 -2.733e-02 -5.348e-03 / + CHEB/ -1.642e-01 1.320e-01 -1.039e-03 -5.574e-03 / + CHEB/ -7.584e-02 4.417e-02 9.395e-03 -2.857e-03 / + CHEB/ -2.318e-02 1.364e-03 8.098e-03 -2.063e-05 / + +! Reaction index: Chemkin #986; RMG #5894 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); [O]C1(O)OO1(997), OC1(O)OO1(1081); +! From training reaction 200 used for Orad_O_H;O_rad/NonDeC +! Exact match found for rate rule [Orad_O_H;O_rad/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(4)+[O]C1(O)OO1(997)<=>O2(2)+OC1(O)OO1(1081) 1.400000e+11 0.000 0.000 + +! Reaction index: Chemkin #987; RMG #5895 +! Template reaction: Disproportionation +! Flux pairs: [O]C1(O)OO1(997), OC1(O)OO1(1081); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+[O]C1(O)OO1(997)<=>CO2(9)+OC1(O)OO1(1081) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #988; RMG #5896 +! Template reaction: Disproportionation +! Flux pairs: [O]C1(O)OO1(997), OC1(O)OO1(1081); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+[O]C1(O)OO1(997)<=>CO2(9)+OC1(O)OO1(1081) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #989; RMG #6280 +! PDep reaction: PDepNetwork #229 +! Flux pairs: OH(3), OC1(O)OO1(1081); O[C]1OO1(1008), OC1(O)OO1(1081); +OH(3)+O[C]1OO1(1008)(+M)<=>OC1(O)OO1(1081)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.250e+01 1.277e+00 -1.189e-01 -3.365e-02 / + CHEB/ -5.565e-01 1.709e-01 7.491e-02 1.421e-02 / + CHEB/ -2.578e-01 4.681e-02 2.505e-02 8.447e-03 / + CHEB/ -8.464e-02 -1.829e-04 2.081e-03 2.348e-03 / + CHEB/ -2.395e-03 -1.142e-02 -4.960e-03 -7.667e-04 / + CHEB/ 2.297e-02 -8.830e-03 -4.550e-03 -1.403e-03 / + +! Reaction index: Chemkin #990; RMG #5899 +! PDep reaction: PDepNetwork #202 +! Flux pairs: OC1(O)OO1(1081), H(5); OC1(O)OO1(1081), [O]C1(O)OO1(997); +OC1(O)OO1(1081)(+M)<=>H(5)+[O]C1(O)OO1(997)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.993e+01 1.352e+00 -8.820e-02 -2.955e-02 / + CHEB/ 3.323e+01 1.328e-01 6.537e-02 1.833e-02 / + CHEB/ -3.297e-01 3.173e-02 1.842e-02 7.547e-03 / + CHEB/ -1.152e-01 -2.180e-03 7.057e-05 1.083e-03 / + CHEB/ -1.449e-02 -8.559e-03 -4.302e-03 -1.224e-03 / + CHEB/ 1.494e-02 -5.714e-03 -3.203e-03 -1.231e-03 / + +! Reaction index: Chemkin #991; RMG #5900 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(977), C2HO3(991); OCHO(11), FA(1); +! Estimated using average of templates [CO_H;O_rad/OneDe] + [CO_sec;O_sec_rad] for rate rule [CO/H/OneDe;O_rad/OneDeC] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+C2H2O3(977)<=>FA(1)+C2HO3(991) 1.355284e+02 3.086 11.789 + +! Reaction index: Chemkin #992; RMG #5901 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(977), C2HO3(991); HOCO(10), FA(1); +! Estimated using template [CO_H;CO_rad/NonDe] for rate rule [CO/H/OneDe;CO_rad/NonDe] +! Euclidian distance = 2.0 +! family: H_Abstraction +HOCO(10)+C2H2O3(977)<=>FA(1)+C2HO3(991) 9.050000e+10 0.000 12.920 + +! Reaction index: Chemkin #993; RMG #5912 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +O[CH]O(970)+C2HO3(993)<=>FA(1)+C2H2O3(977) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #994; RMG #5913 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2HO3(991)<=>FA(1)+C2H2O3(977) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #995; RMG #5914 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +HOCH2O(38)+C2HO3(993)<=>FA(1)+C2H2O3(977) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #996; RMG #5915 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2HO3(991)<=>FA(1)+C2H2O3(977) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #997; RMG #5916 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); C2HO3(993), C2H2O3(977); +! Estimated using average of templates [X_H;O_rad/OneDeC] + [Orad_O_H;O_sec_rad] for rate rule [Orad_O_H;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HO2(4)+C2HO3(993)<=>O2(2)+C2H2O3(977) 6.319327e+03 2.302 8.568 + +! Reaction index: Chemkin #998; RMG #5917 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); C2HO3(991), C2H2O3(977); +! Estimated using template [X_H;CO_sec_rad] for rate rule [Orad_O_H;CO_rad/OneDe] +! Euclidian distance = 2.23606797749979 +! family: H_Abstraction +HO2(4)+C2HO3(991)<=>O2(2)+C2H2O3(977) 2.759401e+04 2.254 36.997 + +! Reaction index: Chemkin #999; RMG #5922 +! Template reaction: H_Abstraction +! Flux pairs: H2O2(18), HO2(4); C2HO3(993), C2H2O3(977); +! Estimated using an average for rate rule [H2O2;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +H2O2(18)+C2HO3(993)<=>HO2(4)+C2H2O3(977) 1.398000e-01 3.750 19.545 + +! Reaction index: Chemkin #1000; RMG #5923 +! Template reaction: H_Abstraction +! Flux pairs: H2O2(18), HO2(4); C2HO3(991), C2H2O3(977); +! Estimated using template [H2O2;CO_sec_rad] for rate rule [H2O2;CO_rad/OneDe] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H2O2(18)+C2HO3(991)<=>HO2(4)+C2H2O3(977) 8.660000e-06 5.090 39.273 + +! Reaction index: Chemkin #1001; RMG #5924 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); C2HO3(993), C2H2O3(977); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +FA(1)+C2HO3(993)<=>HOCO(10)+C2H2O3(977) 1.968453e+09 1.062 12.422 + +! Reaction index: Chemkin #1002; RMG #5929 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+C2HO3(993)<=>CH2O(12)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1003; RMG #5930 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CH2OH(26)+C2HO3(991)<=>CH2O(12)+C2H2O3(977) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1004; RMG #5931 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 6.0 +CH3O(27)+C2HO3(993)<=>CH2O(12)+C2H2O3(977) 2.160000e+07 2.000 0.000 + +! Reaction index: Chemkin #1005; RMG #5932 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2HO3(991)<=>CH2O(12)+C2H2O3(977) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #1006; RMG #5934 +! Template reaction: H_Abstraction +! Flux pairs: O[CH]O(970), OCO(1022); H2O2(18), HO2(4); +! Estimated using template [H2O2;C_rad/H/NonDeO] for rate rule [H2O2;C_rad/H/O2] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H2O2(18)+O[CH]O(970)<=>HO2(4)+OCO(1022) 5.700000e+01 3.040 1.748 + +! Reaction index: Chemkin #1007; RMG #5941 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), O[CH]O(970); CHO4(989), CH2O4(1005); +! Estimated using template [C/H2/NonDeO;O_sec_rad] for rate rule [C/H2/O2;O_rad/OneDeC] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO4(989)+OCO(1022)<=>CH2O4(1005)+O[CH]O(970) 1.640000e+04 2.550 10.750 + +! Reaction index: Chemkin #1008; RMG #5942 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), O[CH]O(970); CHO4(985), CH2O4(1005); +! Estimated using template [C/H2/NonDeO;O_rad/NonDeO] for rate rule [C/H2/O2;OOC] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO4(985)+OCO(1022)<=>CH2O4(1005)+O[CH]O(970) 8.200000e+03 2.550 10.750 + +! Reaction index: Chemkin #1009; RMG #5947 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +OO[C](O)O(1010)+C2HO3(990)<=>CH2O4(1005)+C2H2O3(976) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #1010; RMG #5949 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+OO[C](O)O(1010)<=>CH2O4(1005)+OCO(1022) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1011; RMG #5950 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), CH2O4(1005); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+OO[C](O)O(1010)<=>CH2O4(1005)+OCO(1022) 9.640000e+12 0.000 0.000 + +! Reaction index: Chemkin #1012; RMG #5961 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +OO[C](O)O(1010)+C2HO3(993)<=>CH2O4(1005)+C2H2O3(977) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #1013; RMG #5962 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +OO[C](O)O(1010)+C2HO3(991)<=>CH2O4(1005)+C2H2O3(977) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #1014; RMG #5969 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 6.0 +O[C](O)O(1021)+C2HO3(993)<=>CH2O3(1000)+C2H2O3(977) 1.086000e+14 0.000 0.000 + +! Reaction index: Chemkin #1015; RMG #5970 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2HO3(991)<=>CH2O3(1000)+C2H2O3(977) 5.430000e+14 0.000 0.000 + +! Reaction index: Chemkin #1016; RMG #5971 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C(O)O(972)+C2HO3(993)<=>CH2O3(1000)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1017; RMG #5972 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+C2HO3(991)<=>CH2O3(1000)+C2H2O3(977) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1018; RMG #6011 +! Template reaction: Disproportionation +! Flux pairs: C2HO2(1001), C2H2O2(1070); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2HO2(1001)<=>FA(1)+C2H2O2(1070) 5.711220e+13 -0.375 0.000 + +! Reaction index: Chemkin #1019; RMG #6012 +! Template reaction: Disproportionation +! Flux pairs: C2HO2(1001), C2H2O2(1070); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2HO2(1001)<=>FA(1)+C2H2O2(1070) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #1020; RMG #6013 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), H2O2(18); OCO(1022), HOCH2O(38); +! From training reaction 198 used for O/H/NonDeC;O_rad/NonDeO +! Exact match found for rate rule [O/H/NonDeC;O_rad/NonDeO] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +! Ea raised from 68.8 to 69.6 kJ/mol to match endothermicity of reaction. +HO2(4)+OCO(1022)<=>H2O2(18)+HOCH2O(38) 3.000000e-03 4.610 16.646 + +! Reaction index: Chemkin #1021; RMG #6034 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +HOCH2O(38)+CH3CO(47)<=>OCO(1022)+CH2CO(30) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #1022; RMG #6035 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[CH]O(970)+CH3CO(47)<=>OCO(1022)+CH2CO(30) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #1023; RMG #6044 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 6.0 +C2HO3(993)+CH3CO(47)<=>CH2CO(30)+C2H2O3(977) 1.318824e+09 1.422 0.000 + +! Reaction index: Chemkin #1024; RMG #6045 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +C2HO3(991)+CH3CO(47)<=>CH2CO(30)+C2H2O3(977) 6.594120e+08 1.422 0.108 + +! Reaction index: Chemkin #1025; RMG #6056 +! Template reaction: H_Abstraction +! Flux pairs: CH2(21), CH3(7); OH(3), O(16); +! Estimated using template [Xrad_H;Y_1centerbirad] for rate rule [OH_rad_H;CH2_triplet] +! Euclidian distance = 1.4142135623730951 +! family: H_Abstraction +OH(3)+CH2(21)<=>O(16)+CH3(7) 9.713360e+05 1.974 3.557 + +! Reaction index: Chemkin #1026; RMG #6060 +! Template reaction: H_Abstraction +! Flux pairs: CH2(S)(22), CH(23); OH(3), H2O(17); +! Estimated using template [Xbirad_H;O_pri_rad] for rate rule [CH2_singlet_H;O_pri_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+CH2(S)(22)<=>H2O(17)+CH(23) 2.400000e+06 2.000 -0.490 + +! Reaction index: Chemkin #1027; RMG #6255 +! PDep reaction: PDepNetwork #223 +! Flux pairs: [O]C(O)O(972), O[CH]O(970); H(5), OH(3); +H(5)+[O]C(O)O(972)(+M)<=>OH(3)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.086e+01 -1.105e+00 -4.329e-02 7.748e-04 / + CHEB/ 2.531e+00 6.880e-01 -5.058e-02 -3.798e-03 / + CHEB/ 2.757e-01 3.800e-01 1.303e-02 -9.041e-03 / + CHEB/ -9.712e-02 1.119e-01 4.334e-02 -4.763e-03 / + CHEB/ -7.728e-02 -2.038e-02 3.223e-02 3.191e-03 / + CHEB/ -3.020e-02 -4.546e-02 8.445e-03 6.237e-03 / + +! Reaction index: Chemkin #1028; RMG #6154 +! PDep reaction: PDepNetwork #212 +! Flux pairs: O[C](O)O(1021), O[CH]O(970); H(5), OH(3); +H(5)+O[C](O)O(1021)(+M)<=>OH(3)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.070e+01 -1.138e+00 -3.945e-02 1.520e-04 / + CHEB/ 3.132e+00 6.505e-01 -5.124e-02 -3.296e-03 / + CHEB/ 3.096e-01 3.894e-01 2.606e-03 -7.720e-03 / + CHEB/ -1.055e-01 1.417e-01 3.527e-02 -5.475e-03 / + CHEB/ -8.767e-02 8.197e-04 3.267e-02 9.860e-04 / + CHEB/ -3.730e-02 -3.966e-02 1.340e-02 4.896e-03 / + +! Reaction index: Chemkin #1029; RMG #6069 +! PDep reaction: PDepNetwork #203 +! Flux pairs: CH2(21), CH3(7); OH(3), O(16); +OH(3)+CH2(21)(+M)<=>O(16)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.327e+00 -9.546e-03 -5.841e-03 -2.733e-03 / + CHEB/ 1.073e+00 9.959e-03 6.075e-03 2.825e-03 / + CHEB/ 4.465e-01 -5.380e-04 -3.102e-04 -1.274e-04 / + CHEB/ 1.693e-01 -3.283e-04 -2.031e-04 -9.708e-05 / + CHEB/ 5.914e-02 -1.422e-04 -8.820e-05 -4.239e-05 / + CHEB/ 1.907e-02 -6.100e-05 -3.774e-05 -1.805e-05 / + +! Reaction index: Chemkin #1030; RMG #6082 +! PDep reaction: PDepNetwork #180 +! Flux pairs: OH(3), CH3CO2(73); CH2CO(30), CH3CO2(73); +OH(3)+CH2CO(30)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.356e+00 -7.682e-01 -8.516e-02 2.394e-03 / + CHEB/ 2.922e+00 1.173e+00 -8.807e-02 -7.974e-03 / + CHEB/ -1.003e-01 5.581e-01 2.148e-02 -1.273e-02 / + CHEB/ -2.437e-01 1.328e-01 4.455e-02 -1.317e-03 / + CHEB/ -1.156e-01 -1.763e-02 1.656e-02 5.475e-03 / + CHEB/ -3.046e-02 -2.905e-02 -3.563e-03 2.706e-03 / + +! Reaction index: Chemkin #1031; RMG #6083 +! PDep reaction: PDepNetwork #180 +! Flux pairs: CH2CO(30), HOCO(10); OH(3), CH2(21); +OH(3)+CH2CO(30)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.081e+00 -1.675e-01 -8.089e-02 -2.265e-02 / + CHEB/ 1.718e+01 2.121e-01 9.687e-02 2.270e-02 / + CHEB/ 1.653e-02 -3.723e-02 -9.484e-03 3.816e-03 / + CHEB/ 2.416e-03 -1.148e-02 -8.465e-03 -4.152e-03 / + CHEB/ 4.527e-04 1.186e-03 -3.290e-05 -7.486e-04 / + CHEB/ -1.176e-03 1.176e-03 8.324e-04 4.166e-04 / + +! Reaction index: Chemkin #1032; RMG #6162 +! PDep reaction: PDepNetwork #217 +! Flux pairs: C2O3(1069), HOCO(10); H(5), CO(8); +H(5)+C2O3(1069)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.997e+00 -1.930e-01 -1.022e-01 -3.528e-02 / + CHEB/ 2.323e+00 9.159e-02 4.521e-02 1.292e-02 / + CHEB/ -1.527e-01 -2.797e-02 -1.098e-02 -7.932e-04 / + CHEB/ -1.110e-02 1.817e-02 6.621e-03 9.441e-05 / + CHEB/ 5.010e-02 -4.714e-03 -2.556e-03 -1.028e-03 / + CHEB/ 6.447e-02 1.450e-02 5.851e-03 6.312e-04 / + +! Reaction index: Chemkin #1033; RMG #6167 +! PDep reaction: PDepNetwork #217 +! Flux pairs: C2O3(1069), CO2(9); H(5), HCO(13); +H(5)+C2O3(1069)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.358e+00 -4.361e-01 -1.798e-01 -3.070e-02 / + CHEB/ 3.170e+00 2.029e-01 6.146e-02 -5.386e-03 / + CHEB/ 4.763e-02 7.363e-02 2.865e-02 2.137e-03 / + CHEB/ -4.745e-02 3.508e-02 1.398e-02 1.717e-03 / + CHEB/ -6.297e-02 -2.451e-03 4.116e-03 3.889e-03 / + CHEB/ -3.958e-02 -3.904e-03 8.997e-04 2.036e-03 / + +! Reaction index: Chemkin #1034; RMG #6166 +! PDep reaction: PDepNetwork #217 +! Flux pairs: C2O3(1069), OCHO(11); H(5), CO(8); +H(5)+C2O3(1069)(+M)<=>CO(8)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.625e+00 -3.966e-01 -1.594e-01 -2.427e-02 / + CHEB/ 4.348e+00 2.728e-01 9.582e-02 4.398e-03 / + CHEB/ 5.640e-01 7.691e-02 3.246e-02 5.186e-03 / + CHEB/ 5.567e-02 9.328e-03 3.302e-03 4.724e-04 / + CHEB/ -9.427e-02 -1.605e-02 -2.183e-03 2.425e-03 / + CHEB/ -6.748e-02 -3.194e-03 7.092e-04 1.500e-03 / + +! Reaction index: Chemkin #1035; RMG #6159 +! PDep reaction: PDepNetwork #217 +! Flux pairs: H(5), C2HO3(990); C2O3(1069), C2HO3(990); +H(5)+C2O3(1069)(+M)<=>C2HO3(990)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.693e+00 1.060e+00 -1.912e-01 -3.328e-02 / + CHEB/ 2.797e+00 2.021e-01 5.911e-02 -7.582e-03 / + CHEB/ -9.075e-02 8.911e-02 3.563e-02 3.456e-03 / + CHEB/ -1.133e-01 4.433e-02 1.896e-02 3.411e-03 / + CHEB/ -4.740e-02 -2.550e-03 4.661e-03 4.553e-03 / + CHEB/ -2.725e-02 -6.322e-03 6.911e-06 2.062e-03 / + +! Reaction index: Chemkin #1036; RMG #6158 +! PDep reaction: PDepNetwork #217 +! Flux pairs: H(5), C2HO3(1028); C2O3(1069), C2HO3(1028); +H(5)+C2O3(1069)(+M)<=>C2HO3(1028)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.420e+00 1.362e+00 -4.705e-02 4.876e-03 / + CHEB/ 3.081e+00 6.545e-02 3.965e-03 -1.409e-02 / + CHEB/ 2.363e-01 2.562e-02 7.121e-03 -2.263e-03 / + CHEB/ 6.663e-02 2.304e-02 8.047e-03 8.131e-05 / + CHEB/ -1.091e-01 4.038e-03 5.495e-03 2.999e-03 / + CHEB/ -1.056e-02 3.630e-03 3.202e-03 1.664e-03 / + +! Reaction index: Chemkin #1037; RMG #6157 +! PDep reaction: PDepNetwork #217 +! Flux pairs: H(5), C2HO3(991); C2O3(1069), C2HO3(991); +H(5)+C2O3(1069)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.478e+00 1.348e+00 -9.182e-02 -3.216e-02 / + CHEB/ 1.622e+00 1.279e-01 6.369e-02 1.868e-02 / + CHEB/ -5.107e-01 -4.262e-03 1.772e-03 3.681e-03 / + CHEB/ -4.069e-01 2.776e-02 1.265e-02 2.837e-03 / + CHEB/ -1.781e-01 -6.317e-03 -2.218e-03 -1.288e-05 / + CHEB/ -8.211e-02 6.369e-03 2.465e-03 2.194e-04 / + +! Reaction index: Chemkin #1038; RMG #5247 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), C2O3(1069); OH(3), H(5); +OH(3)+C2O2(1002)(+M)<=>H(5)+C2O3(1069)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.507e+00 -1.373e-01 -6.987e-02 -2.254e-02 / + CHEB/ 1.230e+00 1.548e-01 7.700e-02 2.323e-02 / + CHEB/ -5.733e-02 -2.828e-02 -1.142e-02 -1.055e-03 / + CHEB/ -4.029e-02 8.544e-03 1.823e-03 -1.348e-03 / + CHEB/ 2.806e-02 -9.582e-03 -3.820e-03 -5.829e-04 / + CHEB/ -2.381e-03 6.204e-03 2.497e-03 2.914e-04 / + +! Reaction index: Chemkin #1039; RMG #6160 +! PDep reaction: PDepNetwork #217 +! Flux pairs: H(5), C2HO3(993); C2O3(1069), C2HO3(993); +H(5)+C2O3(1069)(+M)<=>C2HO3(993)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.918e+00 1.185e+00 -1.398e-01 -2.614e-02 / + CHEB/ 2.886e+00 1.974e-01 6.744e-02 2.434e-03 / + CHEB/ -3.498e-02 3.664e-02 1.613e-02 3.220e-03 / + CHEB/ -9.426e-02 1.787e-02 6.311e-03 4.141e-04 / + CHEB/ -9.006e-02 1.267e-03 3.772e-03 2.304e-03 / + CHEB/ -5.227e-02 3.091e-04 1.492e-03 1.116e-03 / + +! Reaction index: Chemkin #1040; RMG #6156 +! PDep reaction: PDepNetwork #217 +! Flux pairs: H(5), C2HO3(1015); C2O3(1069), C2HO3(1015); +H(5)+C2O3(1069)(+M)<=>C2HO3(1015)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.732e+00 1.474e+00 -2.269e-02 -6.443e-03 / + CHEB/ 2.340e+00 4.462e-02 2.049e-02 4.697e-03 / + CHEB/ 1.915e-01 1.621e-03 2.322e-03 1.711e-03 / + CHEB/ 1.045e-01 -1.488e-04 -8.217e-04 -7.045e-04 / + CHEB/ 1.167e-01 -4.619e-03 -2.148e-03 -6.182e-04 / + CHEB/ -5.714e-03 -6.218e-04 -4.835e-04 -1.909e-04 / + +! Reaction index: Chemkin #1041; RMG #6161 +! PDep reaction: PDepNetwork #217 +! Flux pairs: H(5), C2HO3(1027); C2O3(1069), C2HO3(1027); +H(5)+C2O3(1069)(+M)<=>C2HO3(1027)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.535e+00 1.058e+00 -1.922e-01 -3.381e-02 / + CHEB/ 2.730e+00 2.067e-01 6.161e-02 -6.613e-03 / + CHEB/ 1.911e-01 9.029e-02 3.614e-02 3.544e-03 / + CHEB/ 9.858e-02 4.501e-02 1.934e-02 3.551e-03 / + CHEB/ 3.412e-02 -2.823e-03 4.565e-03 4.544e-03 / + CHEB/ -4.719e-03 -6.448e-03 8.480e-06 2.114e-03 / + +! Reaction index: Chemkin #1042; RMG #9791 +! PDep reaction: PDepNetwork #390 +! Flux pairs: O-2(1040), C2O3(1069); C2O2(1002), C2O3(1069); +O-2(1040)+C2O2(1002)(+M)<=>C2O3(1069)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.884e+00 1.472e+00 -1.545e-02 -2.122e-03 / + CHEB/ 4.541e+00 -9.414e-02 -2.941e-02 -3.795e-03 / + CHEB/ 7.787e-01 -8.481e-02 -2.521e-02 -2.561e-03 / + CHEB/ 8.911e-02 -7.106e-02 -1.917e-02 -8.400e-04 / + CHEB/ -7.423e-02 -5.510e-02 -1.243e-02 9.662e-04 / + CHEB/ -1.023e-01 -3.925e-02 -6.168e-03 2.458e-03 / + +! Reaction index: Chemkin #1043; RMG #6102 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); C2HO3(1015), C2O3(1069); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O +H(5)+C2HO3(1015)<=>H2(6)+C2O3(1069) 1.151490e+09 1.378 0.817 + +! Reaction index: Chemkin #1044; RMG #6103 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2O3(1069); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +H(5)+C2HO3(1028)<=>H2(6)+C2O3(1069) 5.958460e+09 0.568 0.000 + +! Reaction index: Chemkin #1045; RMG #6104 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); C2HO3(1015), C2O3(1069); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +OH(3)+C2HO3(1015)<=>H2O(17)+C2O3(1069) 2.410000e+13 0.000 0.293 + +! Reaction index: Chemkin #1046; RMG #6105 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2O3(1069); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+C2HO3(1028)<=>H2O(17)+C2O3(1069) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1047; RMG #782 +! Library reaction: CurranPentane +! Flux pairs: CH3OCO(98), CO2(9); CH3OCO(98), CH3(7); +CH3OCO(98)<=>CO2(9)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.050000 9.720e+12 -1.310 9.417 / + PLOG/ 1.000000 1.250e+16 -1.830 11.341 / + PLOG/ 10.000000 1.040e+18 -2.100 12.827 / + PLOG/ 100.000000 8.690e+17 -1.810 13.657 / + +! Reaction index: Chemkin #1048; RMG #783 +! Library reaction: CurranPentane +! Flux pairs: CH3OCO(98), CO(8); CH3OCO(98), CH3O(27); +CH3OCO(98)<=>CO(8)+CH3O(27) 1.000e+00 0.000 0.000 + PLOG/ 0.050000 1.030e+03 1.290 25.401 / + PLOG/ 1.000000 4.090e+05 0.810 21.969 / + PLOG/ 10.000000 9.020e+14 -1.720 21.768 / + PLOG/ 100.000000 2.825e+22 -3.440 23.592 / + +! Reaction index: Chemkin #1049; RMG #6107 +! PDep reaction: PDepNetwork #206 +! Flux pairs: CH3OCO(98), HOCO(10); CH3OCO(98), CH2(S)(22); +CH3OCO(98)(+M)<=>HOCO(10)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.424e+01 9.318e-02 -2.279e-02 1.498e-03 / + CHEB/ 3.069e+01 1.747e-01 -4.136e-02 2.161e-03 / + CHEB/ -1.602e-01 1.440e-01 -3.063e-02 2.111e-04 / + CHEB/ -1.420e-01 1.044e-01 -1.775e-02 -1.681e-03 / + CHEB/ -9.000e-02 6.636e-02 -6.858e-03 -2.616e-03 / + CHEB/ -5.091e-02 3.671e-02 -4.616e-05 -2.440e-03 / + +! Reaction index: Chemkin #1050; RMG #6116 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), HOCH2O(38); O(16), OH(3); +! From training reaction 194 used for O/H/NonDeC;O_atom_triplet +! Exact match found for rate rule [O/H/NonDeC;O_atom_triplet] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +O(16)+OCO(1022)<=>OH(3)+HOCH2O(38) 7.400000e+12 0.000 5.305 + +! Reaction index: Chemkin #1051; RMG #6117 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); C2HO3(1015), C2O3(1069); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C +O(16)+C2HO3(1015)<=>OH(3)+C2O3(1069) 1.990160e+14 -0.226 2.912 + +! Reaction index: Chemkin #1052; RMG #6118 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2O3(1069); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +O(16)+C2HO3(1028)<=>OH(3)+C2O3(1069) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1053; RMG #6120 +! Template reaction: H_Abstraction +! Flux pairs: H(5), H2(6); C2H2O3(977), C2HO3(993); +! From training reaction 690 used for O/H/OneDeC;H_rad +! Exact match found for rate rule [O/H/OneDeC;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+C2H2O3(977)<=>H2(6)+C2HO3(993) 2.400000e+08 1.500 10.397 + +! Reaction index: Chemkin #1054; RMG #4659 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)O(1039), O[C](O)O(1021); OH(3), H2O(17); +! Estimated using average of templates [C/H/NonDe;O_rad] + [C/H/NDMustO;Y_rad] for rate rule [C/H/O3;O_pri_rad] +! Euclidian distance = 2.23606797749979 +! family: H_Abstraction +OH(3)+OC(O)O(1039)<=>H2O(17)+O[C](O)O(1021) 9.620893e+06 1.468 8.102 + +! Reaction index: Chemkin #1055; RMG #4873 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)O(1039), [O]C(O)O(972); OH(3), H2O(17); +! From training reaction 196 used for O/H/NonDeC;O_pri_rad +! Exact match found for rate rule [O/H/NonDeC;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +OH(3)+OC(O)O(1039)<=>H2O(17)+[O]C(O)O(972) 8.100000e+07 1.443 0.113 + +! Reaction index: Chemkin #1056; RMG #5179 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)O(1039), O[C](O)O(1021); H(5), H2(6); +! Estimated using template [C/H/NDMustO;H_rad] for rate rule [C/H/O3;H_rad] +! Euclidian distance = 1.0 +! family: H_Abstraction +H(5)+OC(O)O(1039)<=>H2(6)+O[C](O)O(1021) 4.140000e+05 2.340 2.680 + +! Reaction index: Chemkin #1057; RMG #5453 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)O(1039), [O]C(O)O(972); H(5), H2(6); +! From training reaction 192 used for O/H/NonDeC;H_rad +! Exact match found for rate rule [O/H/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(5)+OC(O)O(1039)<=>H2(6)+[O]C(O)O(972) 1.230000e+05 2.658 9.221 + +! Reaction index: Chemkin #1058; RMG #5536 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)O(1039), O[C](O)O(1021); O(16), OH(3); +! Estimated using template [C/H/NonDe;O_atom_triplet] for rate rule [C/H/O3;O_atom_triplet] +! Euclidian distance = 2.0 +! family: H_Abstraction +O(16)+OC(O)O(1039)<=>OH(3)+O[C](O)O(1021) 3.830000e+05 2.410 14.800 + +! Reaction index: Chemkin #1059; RMG #5646 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)O(1039), [O]C(O)O(972); O(16), OH(3); +! From training reaction 194 used for O/H/NonDeC;O_atom_triplet +! Exact match found for rate rule [O/H/NonDeC;O_atom_triplet] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +O(16)+OC(O)O(1039)<=>OH(3)+[O]C(O)O(972) 1.110000e+13 0.000 5.305 + +! Reaction index: Chemkin #1060; RMG #6063 +! PDep reaction: PDepNetwork #196 +! Flux pairs: OH(3), OC(O)O(1039); O[CH]O(970), OC(O)O(1039); +OH(3)+O[CH]O(970)(+M)<=>OC(O)O(1039)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.370e+01 1.645e-01 -2.493e-02 6.521e-04 / + CHEB/ -3.454e-01 3.028e-01 -4.271e-02 2.658e-04 / + CHEB/ -2.853e-01 2.352e-01 -2.545e-02 -1.876e-03 / + CHEB/ -2.082e-01 1.526e-01 -7.160e-03 -3.264e-03 / + CHEB/ -1.348e-01 8.035e-02 4.821e-03 -2.935e-03 / + CHEB/ -7.781e-02 3.143e-02 8.641e-03 -1.396e-03 / + +! Reaction index: Chemkin #1061; RMG #7637 +! PDep reaction: PDepNetwork #317 +! Flux pairs: C2HO3(993), OCHCO(63); H(5), OH(3); +H(5)+C2HO3(993)(+M)<=>OH(3)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.097e+01 -3.881e-01 -1.443e-01 -1.761e-02 / + CHEB/ 1.819e+00 3.922e-01 1.213e-01 -1.984e-03 / + CHEB/ 3.347e-01 2.779e-02 3.379e-02 1.747e-02 / + CHEB/ 2.937e-02 -2.632e-02 -6.104e-03 4.024e-03 / + CHEB/ -1.422e-02 -1.543e-02 -9.037e-03 -2.665e-03 / + CHEB/ -1.122e-02 -4.621e-03 -3.875e-03 -2.313e-03 / + +! Reaction index: Chemkin #1062; RMG #6143 +! PDep reaction: PDepNetwork #207 +! Flux pairs: OCHCO(63), C2HO3(991); OH(3), H(5); +OH(3)+OCHCO(63)(+M)<=>H(5)+C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.072e+01 -5.906e-01 -1.586e-01 7.455e-04 / + CHEB/ 8.721e-01 5.335e-01 9.214e-02 -2.881e-02 / + CHEB/ 7.218e-01 8.825e-02 6.116e-02 1.291e-02 / + CHEB/ 3.210e-01 -2.135e-02 8.584e-03 1.181e-02 / + CHEB/ 6.948e-02 -2.616e-02 -9.674e-03 1.472e-03 / + CHEB/ -3.561e-02 -1.402e-02 -8.775e-03 -2.747e-03 / + +! Reaction index: Chemkin #1063; RMG #7639 +! PDep reaction: PDepNetwork #317 +! Flux pairs: C2HO3(993), C2HO3(991); H(5), H(5); +H(5)+C2HO3(993)(+M)<=>H(5)+C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.145e+01 -3.930e-01 -1.445e-01 -1.667e-02 / + CHEB/ 6.998e-01 3.999e-01 1.228e-01 -2.303e-03 / + CHEB/ 6.535e-01 3.149e-02 3.540e-02 1.761e-02 / + CHEB/ 2.819e-01 -2.879e-02 -6.715e-03 4.152e-03 / + CHEB/ 2.960e-02 -1.870e-02 -1.059e-02 -3.015e-03 / + CHEB/ -7.009e-02 -5.958e-03 -4.777e-03 -2.726e-03 / + +! Reaction index: Chemkin #1064; RMG #6153 +! PDep reaction: PDepNetwork #212 +! Flux pairs: H(5), OC(O)O(1039); O[C](O)O(1021), OC(O)O(1039); +H(5)+O[C](O)O(1021)(+M)<=>OC(O)O(1039)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.349e+01 2.413e-01 -3.197e-02 4.939e-04 / + CHEB/ -4.057e-01 4.353e-01 -5.175e-02 -7.035e-04 / + CHEB/ -3.972e-01 3.180e-01 -2.385e-02 -3.811e-03 / + CHEB/ -2.854e-01 1.836e-01 2.217e-03 -4.992e-03 / + CHEB/ -1.731e-01 7.751e-02 1.491e-02 -3.273e-03 / + CHEB/ -9.077e-02 1.634e-02 1.444e-02 -4.080e-04 / + +! Reaction index: Chemkin #1065; RMG #6256 +! PDep reaction: PDepNetwork #223 +! Flux pairs: [O]C(O)O(972), O[C](O)O(1021); H(5), H(5); +H(5)+[O]C(O)O(972)(+M)<=>H(5)+O[C](O)O(1021)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.022e+01 -1.065e+00 -4.459e-02 1.050e-03 / + CHEB/ 2.155e+00 7.337e-01 -4.585e-02 -4.245e-03 / + CHEB/ 2.011e-01 3.677e-01 2.500e-02 -9.132e-03 / + CHEB/ -1.186e-01 7.400e-02 4.977e-02 -2.573e-03 / + CHEB/ -6.812e-02 -4.752e-02 2.848e-02 5.935e-03 / + CHEB/ -2.054e-02 -5.264e-02 8.316e-04 6.991e-03 / + +! Reaction index: Chemkin #1066; RMG #6164 +! PDep reaction: PDepNetwork #217 +! Flux pairs: C2O3(1069), OCHCO(63); H(5), O-2(1040); +H(5)+C2O3(1069)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.920e+01 -3.606e-03 -1.896e-03 -6.279e-04 / + CHEB/ 2.423e+01 3.206e-03 1.662e-03 5.275e-04 / + CHEB/ 4.875e-02 4.752e-05 2.416e-06 -1.922e-05 / + CHEB/ -2.073e-01 2.731e-04 1.560e-04 6.257e-05 / + CHEB/ -4.731e-02 1.973e-04 1.243e-04 5.959e-05 / + CHEB/ 4.946e-02 -2.023e-04 -9.129e-05 -1.663e-05 / + +! Reaction index: Chemkin #1067; RMG #6165 +! PDep reaction: PDepNetwork #217 +! Flux pairs: C2O3(1069), C2HO2(1001); H(5), O(16); +H(5)+C2O3(1069)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.885e+00 -1.382e-01 -4.937e-02 -1.205e-03 / + CHEB/ 1.225e+01 1.335e-01 4.372e-02 -2.351e-03 / + CHEB/ 9.657e-02 1.493e-02 7.900e-03 2.121e-03 / + CHEB/ 5.686e-02 -1.501e-03 3.716e-05 6.459e-04 / + CHEB/ 8.018e-03 -1.124e-02 -2.962e-03 8.758e-04 / + CHEB/ 4.475e-03 -5.061e-04 -1.701e-05 2.027e-04 / + +! Reaction index: Chemkin #1068; RMG #6168 +! PDep reaction: PDepNetwork #217 +! Flux pairs: C2O3(1069), OCHCO(63); H(5), O(16); +H(5)+C2O3(1069)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.012e-01 -2.979e-01 -1.188e-01 -1.806e-02 / + CHEB/ 9.967e+00 2.582e-01 9.268e-02 6.665e-03 / + CHEB/ -1.012e-01 3.435e-02 1.823e-02 5.258e-03 / + CHEB/ -1.063e-01 8.442e-05 6.132e-04 7.255e-04 / + CHEB/ -8.718e-02 -1.272e-02 -2.278e-03 1.599e-03 / + CHEB/ -4.478e-02 -3.226e-03 -9.306e-04 2.353e-04 / + +! Reaction index: Chemkin #1069; RMG #6180 +! Template reaction: CO_Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+[O]C(O)O(972)<=>CO(8)+OC(O)O(1039) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #1070; RMG #6181 +! Template reaction: CO_Disproportionation +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C_Sp-5O-4C +HCO(13)+O[C](O)O(1021)<=>CO(8)+OC(O)O(1039) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1071; RMG #6182 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+[O]C(O)O(972)<=>CO2(9)+OC(O)O(1039) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1072; RMG #6183 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +HOCO(10)+O[C](O)O(1021)<=>CO2(9)+OC(O)O(1039) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #1073; RMG #6184 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+[O]C(O)O(972)<=>CO2(9)+OC(O)O(1039) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1074; RMG #6185 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+O[C](O)O(1021)<=>CO2(9)+OC(O)O(1039) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1075; RMG #6254 +! PDep reaction: PDepNetwork #223 +! Flux pairs: H(5), OC(O)O(1039); [O]C(O)O(972), OC(O)O(1039); +H(5)+[O]C(O)O(972)(+M)<=>OC(O)O(1039)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.298e+01 2.955e-01 -3.929e-02 1.038e-03 / + CHEB/ -5.247e-01 5.192e-01 -5.867e-02 -1.245e-03 / + CHEB/ -4.700e-01 3.508e-01 -1.736e-02 -6.317e-03 / + CHEB/ -3.147e-01 1.759e-01 1.466e-02 -6.918e-03 / + CHEB/ -1.769e-01 5.541e-02 2.383e-02 -3.078e-03 / + CHEB/ -8.577e-02 -1.488e-03 1.683e-02 1.053e-03 / + +! Reaction index: Chemkin #1076; RMG #6189 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); [O]C(O)O(972), OC(O)O(1039); +! From training reaction 200 used for Orad_O_H;O_rad/NonDeC +! Exact match found for rate rule [Orad_O_H;O_rad/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(4)+[O]C(O)O(972)<=>O2(2)+OC(O)O(1039) 1.400000e+11 0.000 0.000 + +! Reaction index: Chemkin #1077; RMG #6190 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); O[C](O)O(1021), OC(O)O(1039); +! Estimated using template [X_H;C_rad/NDMustO] for rate rule [Orad_O_H;C_rad/O3] +! Euclidian distance = 2.23606797749979 +! family: H_Abstraction +HO2(4)+O[C](O)O(1021)<=>O2(2)+OC(O)O(1039) 3.724044e-07 5.229 -2.298 + +! Reaction index: Chemkin #1078; RMG #6195 +! PDep reaction: PDepNetwork #221 +! Flux pairs: C2H2O3(978), CO(8); C2H2O3(978), FA(1); +C2H2O3(978)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.077e+00 1.744e-01 -5.322e-02 4.230e-03 / + CHEB/ 7.212e+00 2.947e-01 -8.489e-02 3.853e-03 / + CHEB/ -1.063e-01 1.786e-01 -4.234e-02 -3.108e-03 / + CHEB/ -5.245e-02 7.310e-02 -9.235e-03 -5.415e-03 / + CHEB/ -1.273e-02 1.406e-02 3.943e-03 -3.346e-03 / + CHEB/ 2.316e-03 -4.482e-03 4.076e-03 -6.493e-04 / + +! Reaction index: Chemkin #1079; RMG #6191 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+[O]C(O)O(972)<=>FA(1)+OC(O)O(1039) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1080; RMG #6192 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+O[C](O)O(1021)<=>FA(1)+OC(O)O(1039) 9.640000e+12 0.000 0.000 + +! Reaction index: Chemkin #1081; RMG #6193 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+[O]C(O)O(972)<=>FA(1)+OC(O)O(1039) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1082; RMG #6194 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+O[C](O)O(1021)<=>FA(1)+OC(O)O(1039) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #1083; RMG #6199 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), O[CH]O(970); H(5), CO(8); +H(5)+C2H2O3(976)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.100e+00 -7.931e-01 -2.630e-01 -4.644e-02 / + CHEB/ 7.532e+00 8.504e-01 2.126e-01 9.495e-03 / + CHEB/ 4.709e-01 -1.081e-01 2.161e-02 1.552e-02 / + CHEB/ 2.136e-02 -1.596e-02 -3.709e-03 9.303e-03 / + CHEB/ 2.998e-02 -3.400e-03 -5.920e-03 -1.612e-03 / + CHEB/ 1.314e-02 1.488e-02 4.363e-03 -1.593e-03 / + +! Reaction index: Chemkin #1084; RMG #6205 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+[O]C(O)O(972)<=>CH2O(12)+OC(O)O(1039) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1085; RMG #6206 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +CH2OH(26)+O[C](O)O(1021)<=>CH2O(12)+OC(O)O(1039) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #1086; RMG #6207 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+[O]C(O)O(972)<=>CH2O(12)+OC(O)O(1039) 1.080000e+07 2.000 0.000 + +! Reaction index: Chemkin #1087; RMG #6208 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+O[C](O)O(1021)<=>CH2O(12)+OC(O)O(1039) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #1088; RMG #6209 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+[O]C(O)O(972)<=>CH2O3(1000)+OC(O)O(1039) 5.430000e+13 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #1089; RMG #6210 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+O[C](O)O(1021)<=>CH2O3(1000)+OC(O)O(1039) 1.446000e+13 0.000 0.000 + +! Reaction index: Chemkin #1090; RMG #6211 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+[O]C(O)O(972)<=>CH2O3(1000)+OC(O)O(1039) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1091; RMG #6212 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +O[C](O)O(1021)+[O]C(O)O(972)<=>CH2O3(1000)+OC(O)O(1039) 1.356420e+10 0.470 0.000 +DUPLICATE + +! Reaction index: Chemkin #1092; RMG #6221 +! Template reaction: Disproportionation +! Flux pairs: O2(2), HO2(4); C2HO3(1015), C2O3(1069); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +O2(2)+C2HO3(1015)<=>HO2(4)+C2O3(1069) 5.263520e+14 -0.401 13.749 + +! Reaction index: Chemkin #1093; RMG #6222 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2O3(1069); O2(2), HO2(4); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2(2)+C2HO3(1028)<=>HO2(4)+C2O3(1069) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1094; RMG #6223 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); C2HO3(1015), C2O3(1069); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +HO2(4)+C2HO3(1015)<=>H2O2(18)+C2O3(1069) 1.210000e+13 0.000 2.775 + +! Reaction index: Chemkin #1095; RMG #6224 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2O3(1069); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+C2HO3(1028)<=>H2O2(18)+C2O3(1069) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1096; RMG #6225 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); C2HO3(1015), C2O3(1069); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+C2HO3(1015)<=>CH2O3(1000)+C2O3(1069) 3.620000e+13 0.000 0.157 + +! Reaction index: Chemkin #1097; RMG #6226 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2O3(1069); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+C2HO3(1028)<=>CH2O3(1000)+C2O3(1069) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1098; RMG #6232 +! PDep reaction: PDepNetwork #120 +! Flux pairs: CO2(9), CHO3(986); CH3O(27), CH2(S)(22); +CO2(9)+CH3O(27)(+M)<=>CHO3(986)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.962e+01 -2.798e-01 -1.261e-01 -3.070e-02 / + CHEB/ 3.361e+01 1.462e-01 5.567e-02 8.264e-03 / + CHEB/ -7.487e-03 3.579e-02 2.236e-02 8.273e-03 / + CHEB/ -4.896e-02 1.370e-02 8.785e-03 4.104e-03 / + CHEB/ -4.408e-02 -1.163e-02 -3.660e-03 7.183e-04 / + CHEB/ -2.742e-02 -1.260e-02 -5.494e-03 -9.187e-04 / + +! Reaction index: Chemkin #1099; RMG #6233 +! PDep reaction: PDepNetwork #120 +! Flux pairs: CO2(9), CH3OCO(98); CH3O(27), O(16); +CO2(9)+CH3O(27)(+M)<=>O(16)+CH3OCO(98)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.301e+01 -2.436e-01 -1.113e-01 -2.830e-02 / + CHEB/ 3.622e+01 1.230e-01 4.585e-02 6.399e-03 / + CHEB/ 2.068e-02 2.889e-02 1.869e-02 7.108e-03 / + CHEB/ -3.132e-02 9.457e-03 6.614e-03 3.517e-03 / + CHEB/ -3.244e-02 -1.088e-02 -4.298e-03 -1.837e-04 / + CHEB/ -2.215e-02 -9.885e-03 -4.887e-03 -1.366e-03 / + +! Reaction index: Chemkin #1100; RMG #6236 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); HOCH2O(38), OCO(1022); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/NonDeC] +! Euclidian distance = 1.0 +! family: H_Abstraction +FA(1)+HOCH2O(38)<=>HOCO(10)+OCO(1022) 9.842265e+08 1.062 12.422 + +! Reaction index: Chemkin #1101; RMG #6237 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C(O)O(972)+OO[C](O)O(1010)<=>CH2O4(1005)+OC(O)O(1039) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1102; RMG #6238 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), CH2O4(1005); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[C](O)O(1021)+OO[C](O)O(1010)<=>CH2O4(1005)+OC(O)O(1039) 9.640000e+12 0.000 0.000 + +! Reaction index: Chemkin #1103; RMG #439 +! Library reaction: NOx2018 +! Flux pairs: cC2H3O(61), H(5); cC2H3O(61), CH2CO(30); +cC2H3O(61)<=>H(5)+CH2CO(30) 5.000000e+13 0.000 14.863 + +! Reaction index: Chemkin #1104; RMG #440 +! Library reaction: NOx2018 +! Flux pairs: cC2H3O(61), CO(8); cC2H3O(61), CH3(7); +cC2H3O(61)<=>CO(8)+CH3(7) 7.100000e+12 0.000 14.280 + +! Reaction index: Chemkin #1105; RMG #637 +! Library reaction: CurranPentane +! Flux pairs: cC2H3O(61), CH3CO(47); +cC2H3O(61)<=>CH3CO(47) 8.500000e+14 0.000 14.000 + +! Reaction index: Chemkin #1106; RMG #6246 +! PDep reaction: PDepNetwork #182 +! Flux pairs: CH2CO(30), C2H2O(1085); H(5), H(5); +H(5)+CH2CO(30)(+M)<=>H(5)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.846e+01 -1.463e-01 -4.134e-02 -6.473e-03 / + CHEB/ 2.482e+01 -2.435e-01 -6.117e-02 -6.701e-03 / + CHEB/ -6.813e-01 -1.357e-01 -1.765e-02 4.065e-03 / + CHEB/ -5.221e-01 -3.394e-02 1.630e-02 9.068e-03 / + CHEB/ -3.013e-01 2.489e-02 2.679e-02 6.221e-03 / + CHEB/ -1.330e-01 4.029e-02 1.916e-02 2.313e-05 / + +! Reaction index: Chemkin #1107; RMG #6596 +! PDep reaction: PDepNetwork #254 +! Flux pairs: [O]C(O)O(972), O[CH]O(970); O(16), O2(2); +O(16)+[O]C(O)O(972)(+M)<=>O2(2)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.251e+01 -2.656e-01 -1.149e-01 -2.376e-02 / + CHEB/ 6.655e-01 2.993e-01 1.166e-01 1.435e-02 / + CHEB/ 7.776e-02 -1.657e-02 7.657e-03 1.163e-02 / + CHEB/ 9.913e-03 -2.631e-02 -1.312e-02 -2.765e-03 / + CHEB/ 2.950e-03 -7.205e-03 -5.555e-03 -3.106e-03 / + CHEB/ 2.762e-03 1.840e-03 3.163e-04 -5.483e-04 / + +! Reaction index: Chemkin #1108; RMG #4655 +! Template reaction: intra_OH_migration +! Flux pairs: O[CH]OO(1038), [O]C(O)O(972); +! Estimated using template [RnOOH;C_rad_out_1H] for rate rule [ROOH;C_rad_out_H/NonDeO] +! Euclidian distance = 1.4142135623730951 +! family: intra_OH_migration +O[CH]OO(1038)<=>[O]C(O)O(972) 4.262996e+10 0.000 22.167 + +! Reaction index: Chemkin #1109; RMG #4684 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +OH(3)+O[CH]OO(1038)<=>H2O(17)+HO2CHO(68) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #1110; RMG #4709 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), HO2CHO(68); O[CH]OO(1038), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+O[CH]OO(1038)<=>FA(1)+HO2CHO(68) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1111; RMG #4711 +! Template reaction: Disproportionation +! Flux pairs: O[CH]OO(1038), HO2CHO(68); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+O[CH]OO(1038)<=>FA(1)+HO2CHO(68) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1112; RMG #4719 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +HO2(4)+O[CH]OO(1038)<=>H2O2(18)+HO2CHO(68) 1.210000e+13 0.000 0.000 + +! Reaction index: Chemkin #1113; RMG #4751 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C +H(5)+O[CH]OO(1038)<=>H2(6)+HO2CHO(68) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1114; RMG #4753 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), HO2CHO(68); O[CH]OO(1038), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(989)+O[CH]OO(1038)<=>HO2CHO(68)+CH2O4(1005) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1115; RMG #4755 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CHO4(985)+O[CH]OO(1038)<=>HO2CHO(68)+CH2O4(1005) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1116; RMG #4987 +! Template reaction: Disproportionation +! Flux pairs: O2(2), HO2(4); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 +! Multiplied by reaction path degeneracy 2.0 +O2(2)+O[CH]OO(1038)<=>HO2(4)+HO2CHO(68) 1.144180e+13 0.000 0.000 + +! Reaction index: Chemkin #1117; RMG #4990 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), HO2CHO(68); O[CH]OO(1038), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+O[CH]OO(1038)<=>HO2CHO(68)+CH2O3(1000) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1118; RMG #5006 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), HO2CHO(68); O[CH]OO(1038), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HCO(13)+O[CH]OO(1038)<=>CH2O(12)+HO2CHO(68) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1119; RMG #5025 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +CH3(7)+O[CH]OO(1038)<=>HO2CHO(68)+CH4(20) 8.490000e+13 0.000 0.000 + +! Reaction index: Chemkin #1120; RMG #5027 +! Template reaction: Disproportionation +! Flux pairs: O2CHO(67), HO2CHO(68); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O2CHO(67)+O[CH]OO(1038)<=>HO2CHO(68)+HO2CHO(68) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1121; RMG #5029 +! Template reaction: Disproportionation +! Flux pairs: O[CH]OO(1038), HO2CHO(68); CHO3(1009), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CHO3(1009)+O[CH]OO(1038)<=>HO2CHO(68)+HO2CHO(68) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1122; RMG #5031 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +CH3O(27)+O[CH]OO(1038)<=>HO2CHO(68)+CH3OH(25) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #1123; RMG #5032 +! Template reaction: Disproportionation +! Flux pairs: O[CH]OO(1038), HO2CHO(68); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +CH2OH(26)+O[CH]OO(1038)<=>HO2CHO(68)+CH3OH(25) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #1124; RMG #5537 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C +O(16)+O[CH]OO(1038)<=>OH(3)+HO2CHO(68) 9.040000e+13 0.000 0.000 + +! Reaction index: Chemkin #1125; RMG #5854 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: H(5), O[CH]OO(1038); HO2CHO(68), O[CH]OO(1038); +! Estimated using an average for rate rule [Od_CO-NdH;HJ] +! Euclidian distance = 0 +! family: R_Addition_MultipleBond +H(5)+HO2CHO(68)<=>O[CH]OO(1038) 4.000000e+09 1.390 8.577 + +! Reaction index: Chemkin #1126; RMG #5977 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +O[CH]OO(1038)+OCHCO(63)<=>HO2CHO(68)+OCHCHO(52) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1127; RMG #5987 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]OO(1038)+C2HO3(993)<=>HO2CHO(68)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1128; RMG #5988 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +O[CH]OO(1038)+C2HO3(991)<=>HO2CHO(68)+C2H2O3(977) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1129; RMG #6241 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCH2O(38)+O[CH]OO(1038)<=>HO2CHO(68)+OCO(1022) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1130; RMG #6242 +! Template reaction: Disproportionation +! Flux pairs: O[CH]OO(1038), HO2CHO(68); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[CH]O(970)+O[CH]OO(1038)<=>HO2CHO(68)+OCO(1022) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #1131; RMG #3 +! Library reaction: primaryH2O2 +! Flux pairs: H2(6), H(5); Ar(14), Ar(14); Ar(14), H(5); +Ar(14)+H2(6)<=>Ar(14)+H(5)+H(5) 5.840000e+18 -1.100 104.380 + +! Reaction index: Chemkin #1132; RMG #19 +! Library reaction: primaryH2O2 +! Flux pairs: O(16), O2(2); Ar(14), Ar(14); O(16), Ar(14); +Ar(14)+O(16)+O(16)<=>Ar(14)+O2(2) 1.886000e+13 0.000 -1.788 + +! Reaction index: Chemkin #1133; RMG #37 +! Library reaction: primaryH2O2 +Ar(14)+O(16)+O2(2)<=>Ar(14)+O3(19) 4.290000e+17 -1.500 0.000 +DUPLICATE +! Reaction index: Chemkin #1134; RMG #37 +! Library reaction: primaryH2O2 +Ar(14)+O(16)+O2(2)<=>Ar(14)+O3(19) 5.100000e+21 -3.200 0.000 +DUPLICATE + + +! Reaction index: Chemkin #1135; RMG #134 +! Library reaction: NOx2018 +! Flux pairs: CH2(S)(22), CH2(21); Ar(14), Ar(14); +Ar(14)+CH2(S)(22)<=>Ar(14)+CH2(21) 1.500000e+13 0.000 0.884 + +! Reaction index: Chemkin #1136; RMG #6274 +! PDep reaction: PDepNetwork #226 +! Flux pairs: [O]OC(O)O(973), HO2(4); [O]OC(O)O(973), FA(1); +[O]OC(O)O(973)(+M)<=>HO2(4)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.316e-01 2.947e-01 -3.280e-02 1.005e-03 / + CHEB/ 8.809e+00 4.931e-01 -4.151e-02 -2.257e-03 / + CHEB/ -4.288e-01 2.912e-01 -1.525e-03 -6.239e-03 / + CHEB/ -2.274e-01 1.151e-01 1.770e-02 -4.257e-03 / + CHEB/ -9.165e-02 2.215e-02 1.396e-02 -2.618e-04 / + CHEB/ -2.536e-02 -4.560e-03 3.657e-03 1.386e-03 / + +! Reaction index: Chemkin #1137; RMG #5535 +! Template reaction: intra_H_migration +! Flux pairs: [O]OC(O)O(973), OO[C](O)O(1010); +! From training reaction 270 used for R3H_SS_O;O_rad_out;Cs_H_out_NDMustO +! Exact match found for rate rule [R3H_SS_O;O_rad_out;Cs_H_out_NDMustO] +! Euclidian distance = 0 +! family: intra_H_migration +[O]OC(O)O(973)<=>OO[C](O)O(1010) 3.000000e+08 1.230 36.850 + +! Reaction index: Chemkin #1138; RMG #6247 +! PDep reaction: PDepNetwork #174 +! Flux pairs: O2(2), [O]OC(O)O(973); O[CH]O(970), [O]OC(O)O(973); +O2(2)+O[CH]O(970)(+M)<=>[O]OC(O)O(973)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.244e+01 4.877e-01 -8.478e-02 9.468e-03 / + CHEB/ -7.889e-01 6.281e-01 -4.207e-02 -1.434e-02 / + CHEB/ -4.139e-01 2.354e-01 3.370e-02 -1.318e-02 / + CHEB/ -1.553e-01 3.229e-02 3.103e-02 8.549e-05 / + CHEB/ -3.369e-02 -2.108e-02 8.785e-03 4.334e-03 / + CHEB/ 3.256e-03 -1.494e-02 -2.666e-03 2.032e-03 / + +! Reaction index: Chemkin #1139; RMG #6264 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: FA(1), O[CH]OO(1038); OH(3), O[CH]OO(1038); +! Estimated using template [Od_CO-NdH;YJ] for rate rule [Od_CO-NdH;OJ_pri] +! Euclidian distance = 2.0 +! family: R_Addition_MultipleBond +! Ea raised from 216.7 to 218.3 kJ/mol to match endothermicity of reaction. +OH(3)+FA(1)<=>O[CH]OO(1038) 4.000000e+09 1.390 52.176 + +! Reaction index: Chemkin #1140; RMG #6268 +! Template reaction: H_Abstraction +! Flux pairs: OC1OO1(1047), O[C]1OO1(1008); O(16), OH(3); +! Estimated using template [C/H/NonDe;O_atom_triplet] for rate rule [C/H/O3;O_atom_triplet] +! Euclidian distance = 2.0 +! family: H_Abstraction +O(16)+OC1OO1(1047)<=>OH(3)+O[C]1OO1(1008) 3.830000e+05 2.410 14.800 + +! Reaction index: Chemkin #1141; RMG #6271 +! Template reaction: CO_Disproportionation +! Flux pairs: [O]C1(O)OO1(997), OC1(O)OO1(1081); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO +HCO(13)+[O]C1(O)OO1(997)<=>CO(8)+OC1(O)OO1(1081) 6.230550e+13 -0.000 0.000 + +! Reaction index: Chemkin #1142; RMG #6594 +! PDep reaction: PDepNetwork #254 +! Flux pairs: O(16), [O]OC(O)O(973); [O]C(O)O(972), [O]OC(O)O(973); +O(16)+[O]C(O)O(972)(+M)<=>[O]OC(O)O(973)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.133e+01 1.241e+00 -1.200e-01 -2.420e-02 / + CHEB/ -5.671e-01 3.040e-01 1.160e-01 1.252e-02 / + CHEB/ -1.720e-01 -9.104e-03 1.132e-02 1.239e-02 / + CHEB/ 1.508e-02 -2.532e-02 -1.185e-02 -1.832e-03 / + CHEB/ 5.550e-02 -8.754e-03 -6.139e-03 -3.048e-03 / + CHEB/ 3.661e-02 9.534e-04 -2.778e-04 -8.169e-04 / + +! Reaction index: Chemkin #1143; RMG #6282 +! PDep reaction: PDepNetwork #229 +! Flux pairs: O[C]1OO1(1008), [O]C1(O)OO1(997); OH(3), H(5); +OH(3)+O[C]1OO1(1008)(+M)<=>H(5)+[O]C1(O)OO1(997)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.517e+00 -1.501e-01 -7.928e-02 -2.710e-02 / + CHEB/ 4.509e+00 1.342e-01 6.748e-02 2.014e-02 / + CHEB/ 5.193e-01 2.336e-02 1.463e-02 6.829e-03 / + CHEB/ 1.042e-01 -5.996e-03 -2.183e-03 1.525e-04 / + CHEB/ 1.334e-02 -7.875e-03 -4.276e-03 -1.505e-03 / + CHEB/ -3.818e-03 -4.031e-03 -2.414e-03 -1.066e-03 / + +! Reaction index: Chemkin #1144; RMG #6284 +! PDep reaction: PDepNetwork #230 +! Flux pairs: OC1OO1(1047), FA(1); OH(3), HO2(4); +OH(3)+OC1OO1(1047)(+M)<=>HO2(4)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.770e-01 -1.366e-01 -7.070e-02 -2.320e-02 / + CHEB/ 8.470e+00 1.502e-01 7.428e-02 2.147e-02 / + CHEB/ 2.038e-02 -7.165e-03 2.917e-04 3.277e-03 / + CHEB/ 1.294e-02 -6.164e-03 -3.591e-03 -1.343e-03 / + CHEB/ 8.229e-03 -2.523e-03 -1.563e-03 -7.443e-04 / + CHEB/ 3.209e-03 -5.906e-04 -3.980e-04 -2.184e-04 / +DUPLICATE + +! Reaction index: Chemkin #1145; RMG #6292 +! PDep reaction: PDepNetwork #232 +! Flux pairs: OCHO(11), [CH]1OO1(971); O-2(1040), O(16); +O-2(1040)+OCHO(11)(+M)<=>O(16)+[CH]1OO1(971)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.010e+00 -3.960e-03 -2.438e-03 -1.155e-03 / + CHEB/ 1.014e+01 2.385e-03 1.466e-03 6.917e-04 / + CHEB/ 3.216e-01 3.271e-04 2.022e-04 9.649e-05 / + CHEB/ 1.099e-01 2.829e-05 1.767e-05 8.612e-06 / + CHEB/ 3.943e-02 -2.666e-05 -1.633e-05 -7.663e-06 / + CHEB/ 1.851e-02 -6.821e-06 -4.201e-06 -1.992e-06 / + +! Reaction index: Chemkin #1146; RMG #6308 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), H2O2(18); OC(O)O(1039), [O]C(O)O(972); +! From training reaction 198 used for O/H/NonDeC;O_rad/NonDeO +! Exact match found for rate rule [O/H/NonDeC;O_rad/NonDeO] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +HO2(4)+OC(O)O(1039)<=>H2O2(18)+[O]C(O)O(972) 4.500000e-03 4.610 18.581 + +! Reaction index: Chemkin #1147; RMG #6309 +! Template reaction: H_Abstraction +! Flux pairs: H2O2(18), HO2(4); O[C](O)O(1021), OC(O)O(1039); +! Estimated using template [H2O2;C_rad/NDMustO] for rate rule [H2O2;C_rad/O3] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H2O2(18)+O[C](O)O(1021)<=>HO2(4)+OC(O)O(1039) 3.460000e+01 3.050 1.020 + +! Reaction index: Chemkin #1148; RMG #6313 +! PDep reaction: PDepNetwork #231 +! Flux pairs: OH(3), [O]OC(O)O(973); OC1OO1(1047), [O]OC(O)O(973); +OH(3)+OC1OO1(1047)(+M)<=>[O]OC(O)O(973)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.571e+00 7.141e-01 -2.734e-01 -3.476e-02 / + CHEB/ 9.814e-01 6.406e-01 1.494e-01 -1.257e-02 / + CHEB/ 1.875e-01 1.414e-01 9.014e-02 1.999e-02 / + CHEB/ 8.940e-02 -3.060e-02 -2.020e-04 9.554e-03 / + CHEB/ 6.385e-02 -3.383e-02 -1.366e-02 -1.553e-04 / + CHEB/ 2.753e-02 1.785e-03 -1.454e-03 -1.744e-03 / + +! Reaction index: Chemkin #1149; RMG #6314 +! PDep reaction: PDepNetwork #231 +! Flux pairs: OC1OO1(1047), CH2O4(1005); OH(3), H(5); +OH(3)+OC1OO1(1047)(+M)<=>H(5)+CH2O4(1005)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.223e+01 -3.265e-01 -1.480e-01 -3.465e-02 / + CHEB/ -1.182e-02 1.032e-01 4.510e-02 8.265e-03 / + CHEB/ 7.559e-02 1.467e-01 5.176e-02 1.896e-03 / + CHEB/ 1.804e-02 2.565e-02 1.293e-02 3.957e-03 / + CHEB/ -1.625e-02 -1.644e-02 -5.030e-04 4.188e-03 / + CHEB/ -9.883e-03 -8.774e-04 8.476e-04 1.049e-03 / + +! Reaction index: Chemkin #1150; RMG #6315 +! PDep reaction: PDepNetwork #231 +! Flux pairs: OC1OO1(1047), HO2CHO(68); OH(3), OH(3); +OH(3)+OC1OO1(1047)(+M)<=>OH(3)+HO2CHO(68)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.919e+00 -2.447e-01 -1.200e-01 -3.458e-02 / + CHEB/ 3.350e+00 9.269e-02 4.324e-02 1.026e-02 / + CHEB/ 6.590e-01 1.065e-01 4.437e-02 6.928e-03 / + CHEB/ 1.195e-01 1.257e-02 8.032e-03 3.649e-03 / + CHEB/ 1.230e-02 -1.584e-02 -3.590e-03 1.881e-03 / + CHEB/ -6.284e-03 -5.557e-05 2.396e-04 3.378e-04 / + +! Reaction index: Chemkin #1151; RMG #6316 +! PDep reaction: PDepNetwork #231 +! Flux pairs: OC1OO1(1047), FA(1); OH(3), HO2(4); +OH(3)+OC1OO1(1047)(+M)<=>HO2(4)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.178e+01 -3.385e-01 -1.522e-01 -3.478e-02 / + CHEB/ 3.342e-01 9.502e-02 4.154e-02 7.541e-03 / + CHEB/ 9.790e-02 1.499e-01 5.155e-02 8.256e-04 / + CHEB/ 3.053e-02 2.999e-02 1.397e-02 3.567e-03 / + CHEB/ -5.226e-03 -1.429e-02 5.702e-04 4.378e-03 / + CHEB/ -1.112e-02 -1.379e-04 1.430e-03 1.278e-03 / +DUPLICATE + +! Reaction index: Chemkin #1152; RMG #6721 +! PDep reaction: PDepNetwork #254 +! Flux pairs: [O]C(O)O(972), OC1OO1(1047); O(16), OH(3); +O(16)+[O]C(O)O(972)(+M)<=>OH(3)+OC1OO1(1047)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.640e+00 -3.636e-01 -1.746e-01 -4.932e-02 / + CHEB/ 2.362e+00 3.153e-01 1.339e-01 2.522e-02 / + CHEB/ 6.072e-01 3.573e-02 3.222e-02 1.835e-02 / + CHEB/ 1.713e-01 -1.480e-02 -8.590e-03 -2.382e-03 / + CHEB/ 4.921e-02 -1.411e-02 -7.510e-03 -2.640e-03 / + CHEB/ 5.620e-03 2.578e-03 1.494e-03 4.821e-04 / + +! Reaction index: Chemkin #1153; RMG #6318 +! PDep reaction: PDepNetwork #231 +! Flux pairs: OC1OO1(1047), O[CH]O(970); OH(3), O2(2); +OH(3)+OC1OO1(1047)(+M)<=>O2(2)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.230e+00 -7.159e-01 -2.542e-01 -3.749e-02 / + CHEB/ 2.655e+00 6.188e-01 1.605e-01 -5.764e-03 / + CHEB/ 4.925e-01 9.132e-02 7.675e-02 2.410e-02 / + CHEB/ 8.149e-02 -3.938e-02 -8.958e-03 6.469e-03 / + CHEB/ 8.810e-03 -2.797e-02 -1.410e-02 -2.503e-03 / + CHEB/ -8.897e-03 4.278e-03 1.336e-04 -1.529e-03 / + +! Reaction index: Chemkin #1154; RMG #6479 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), CO2(9); C2HO3(1055), HCO(13); +C2HO3(1055)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.626e+00 2.820e-01 -1.991e-01 -3.751e-02 / + CHEB/ 5.682e+00 8.205e-01 9.972e-03 -1.009e-02 / + CHEB/ -4.642e-01 1.811e-01 3.559e-02 -5.220e-03 / + CHEB/ -1.262e-01 -3.270e-02 1.597e-02 3.351e-03 / + CHEB/ 7.681e-03 -3.716e-02 -5.076e-03 2.398e-03 / + CHEB/ 1.541e-02 -5.955e-03 -5.061e-03 -9.489e-04 / + +! Reaction index: Chemkin #1155; RMG #6480 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), CO(8); C2HO3(1055), HOCO(10); +C2HO3(1055)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.305e+00 4.207e-01 -2.970e-01 -7.095e-02 / + CHEB/ 8.629e+00 9.382e-01 9.895e-02 -4.572e-04 / + CHEB/ 6.789e-01 -4.924e-02 6.183e-02 1.201e-02 / + CHEB/ 2.016e-01 -7.137e-02 5.767e-03 8.973e-03 / + CHEB/ 1.543e-02 1.903e-02 -1.382e-02 -3.710e-03 / + CHEB/ -2.774e-02 3.278e-02 5.931e-03 -9.119e-04 / + +! Reaction index: Chemkin #1156; RMG #6477 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), CO(8); C2HO3(1055), OCHO(11); +C2HO3(1055)(+M)<=>CO(8)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.592e-01 7.363e-02 -3.233e-01 -6.334e-02 / + CHEB/ 6.651e+00 1.148e+00 1.420e-01 1.471e-02 / + CHEB/ 1.479e-01 2.943e-01 1.145e-01 1.792e-02 / + CHEB/ 2.503e-01 4.598e-03 4.749e-02 1.504e-02 / + CHEB/ 2.199e-01 -4.681e-02 -5.750e-03 4.382e-03 / + CHEB/ 1.074e-01 -2.541e-02 -1.500e-02 -4.436e-03 / + +! Reaction index: Chemkin #1157; RMG #6472 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), C2HO3(991); +C2HO3(1055)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.119e+00 1.988e+00 -2.745e-01 -6.673e-02 / + CHEB/ 7.752e+00 9.915e-01 1.241e-01 4.626e-03 / + CHEB/ 3.609e-01 -5.436e-02 5.653e-02 1.345e-02 / + CHEB/ -4.877e-02 -1.021e-01 -4.375e-03 9.726e-03 / + CHEB/ -9.418e-02 1.519e-03 -1.722e-02 -3.984e-03 / + CHEB/ -1.140e-01 3.534e-02 4.958e-03 -2.675e-03 / + +! Reaction index: Chemkin #1158; RMG #6474 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), C2HO3(990); +C2HO3(1055)(+M)<=>C2HO3(990)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.861e+00 1.541e+00 -3.537e-01 -7.518e-02 / + CHEB/ 5.654e+00 1.047e+00 8.753e-02 -6.420e-03 / + CHEB/ -4.252e-01 2.160e-01 7.490e-02 3.508e-03 / + CHEB/ -1.157e-01 -3.892e-02 2.636e-02 8.494e-03 / + CHEB/ 4.824e-02 -5.669e-02 -9.853e-03 4.250e-03 / + CHEB/ 2.293e-02 -1.268e-02 -8.016e-03 -1.017e-03 / + +! Reaction index: Chemkin #1159; RMG #5244 +! PDep reaction: PDepNetwork #135 +! Flux pairs: OH(3), C2HO3(1055); C2O2(1002), C2HO3(1055); +OH(3)+C2O2(1002)(+M)<=>C2HO3(1055)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.075e+00 1.127e+00 -2.040e-01 -6.887e-02 / + CHEB/ -2.418e-01 3.418e-01 1.679e-01 4.931e-02 / + CHEB/ -1.565e-01 -3.654e-02 -1.244e-02 1.174e-03 / + CHEB/ 1.770e-02 1.497e-02 3.824e-03 -1.634e-03 / + CHEB/ 5.422e-02 -4.876e-03 -6.585e-04 7.777e-04 / + CHEB/ -5.468e-03 3.751e-03 1.036e-03 -2.752e-04 / + +! Reaction index: Chemkin #1160; RMG #6473 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), C2HO3(1028); +C2HO3(1055)(+M)<=>C2HO3(1028)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.101e-01 1.880e+00 -1.912e-01 -3.701e-02 / + CHEB/ 5.873e+00 8.841e-01 3.109e-02 -6.805e-03 / + CHEB/ -1.664e-01 1.680e-01 4.775e-02 -1.083e-03 / + CHEB/ 3.288e-02 -5.583e-02 1.544e-02 5.637e-03 / + CHEB/ -2.996e-02 -4.492e-02 -7.799e-03 2.182e-03 / + CHEB/ 3.969e-02 -6.156e-03 -5.696e-03 -1.531e-03 / + +! Reaction index: Chemkin #1161; RMG #6424 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), C2HO3(993); +C2HO3(1055)(+M)<=>C2HO3(993)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.468e+00 1.852e+00 -1.846e-01 -3.613e-02 / + CHEB/ 5.262e+00 8.437e-01 2.314e-02 -4.243e-03 / + CHEB/ -5.356e-01 1.843e-01 4.224e-02 -1.874e-03 / + CHEB/ -1.471e-01 -3.640e-02 1.737e-02 4.902e-03 / + CHEB/ 5.411e-04 -3.755e-02 -5.339e-03 2.306e-03 / + CHEB/ 1.058e-02 -5.969e-03 -5.302e-03 -1.130e-03 / + +! Reaction index: Chemkin #1162; RMG #6475 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), C2HO3(1015); +C2HO3(1055)(+M)<=>C2HO3(1015)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.197e+00 1.977e+00 -2.983e-01 -7.575e-02 / + CHEB/ 8.031e+00 1.044e+00 1.687e-01 2.039e-02 / + CHEB/ 5.630e-01 -9.391e-02 4.736e-02 1.298e-02 / + CHEB/ 2.017e-01 -8.638e-02 -3.919e-03 1.021e-02 / + CHEB/ 5.662e-02 1.033e-02 -1.658e-02 -4.823e-03 / + CHEB/ -4.990e-02 4.336e-02 1.161e-02 -5.488e-04 / + +! Reaction index: Chemkin #1163; RMG #6476 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), C2HO3(1027); +C2HO3(1055)(+M)<=>C2HO3(1027)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.103e-01 1.540e+00 -3.615e-01 -7.881e-02 / + CHEB/ 5.614e+00 1.072e+00 1.002e-01 -2.070e-03 / + CHEB/ -1.230e-01 2.077e-01 7.538e-02 3.469e-03 / + CHEB/ 1.138e-01 -4.458e-02 2.587e-02 8.854e-03 / + CHEB/ 1.390e-01 -5.896e-02 -1.124e-02 3.842e-03 / + CHEB/ 4.897e-02 -1.088e-02 -7.506e-03 -8.772e-04 / + +! Reaction index: Chemkin #1164; RMG #6178 +! PDep reaction: PDepNetwork #217 +! Flux pairs: H(5), C2HO3(1055); C2O3(1069), C2HO3(1055); +H(5)+C2O3(1069)(+M)<=>C2HO3(1055)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.556e+00 1.086e+00 -1.918e-01 -4.409e-02 / + CHEB/ 3.224e+00 3.318e-01 1.364e-01 2.438e-02 / + CHEB/ 3.705e-01 -3.781e-03 -2.792e-03 -1.102e-03 / + CHEB/ 1.891e-01 1.417e-02 2.079e-03 -2.862e-03 / + CHEB/ 3.182e-02 3.428e-03 5.303e-03 2.952e-03 / + CHEB/ -1.896e-02 -1.195e-03 1.084e-03 1.286e-03 / + +! Reaction index: Chemkin #1165; RMG #6346 +! PDep reaction: PDepNetwork #5 +! Flux pairs: cC2H3O(61), H(5); cC2H3O(61), C2H2O(1085); +cC2H3O(61)(+M)<=>H(5)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.971e+01 1.367e+00 -4.218e-02 -6.293e-03 / + CHEB/ 2.752e+01 -2.563e-01 -6.249e-02 -6.320e-03 / + CHEB/ 1.311e-01 -1.450e-01 -1.810e-02 4.464e-03 / + CHEB/ -1.964e-01 -3.899e-02 1.676e-02 9.415e-03 / + CHEB/ -1.638e-01 2.347e-02 2.778e-02 6.423e-03 / + CHEB/ -8.195e-02 4.113e-02 2.017e-02 3.239e-05 / + +! Reaction index: Chemkin #1166; RMG #455 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), H(5); CH2CHO(45), CH2CO(30); +! Reaction library: 'NOx2018' +CH2CHO(45)<=>H(5)+CH2CO(30) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.400e+25 -4.800 43.424 / + PLOG/ 0.100000 2.400e+30 -5.860 46.114 / + PLOG/ 1.000000 1.300e+34 -6.570 49.454 / + PLOG/ 10.000000 3.500e+36 -6.920 52.979 / + PLOG/ 100.000000 1.200e+36 -6.480 55.191 / + +! Reaction index: Chemkin #1167; RMG #456 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), CO(8); CH2CHO(45), CH3(7); +CH2CHO(45)<=>CO(8)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.200e+30 -6.070 41.332 / + PLOG/ 0.025000 1.500e+31 -6.270 42.478 / + PLOG/ 0.100000 6.400e+32 -6.570 44.282 / + PLOG/ 1.000000 6.500e+34 -6.870 47.191 / + PLOG/ 10.000000 2.200e+35 -6.760 49.548 / + PLOG/ 100.000000 2.200e+33 -5.970 50.448 / + +! Reaction index: Chemkin #1168; RMG #457 +! Library reaction: NOx2018 +H(5)+CH2CHO(45)<=>HCO(13)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 5.000e+20 -2.063 3.994 / + PLOG/ 0.100000 6.500e+21 -2.371 4.936 / + PLOG/ 1.000000 1.000e+33 -5.363 17.064 / + PLOG/ 10.000000 1.800e+40 -7.368 24.518 / + PLOG/ 100.000000 1.200e+32 -4.930 22.682 / +DUPLICATE +! Reaction index: Chemkin #1169; RMG #457 +! Library reaction: NOx2018 +H(5)+CH2CHO(45)<=>HCO(13)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 3.000e+28 -4.169 12.362 / + PLOG/ 0.100000 4.000e+29 -4.477 13.304 / + PLOG/ 1.000000 1.200e+27 -3.851 9.085 / + PLOG/ 10.000000 2.700e+28 -4.075 13.264 / + PLOG/ 100.000000 1.970e+24 -2.822 14.305 / +DUPLICATE + + +! Reaction index: Chemkin #1170; RMG #458 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), CO(8); H(5), H(5); H(5), CH3(7); +H(5)+CH2CHO(45)<=>H(5)+CO(8)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.100e+27 -3.408 23.047 / + PLOG/ 0.100000 1.500e+28 -3.716 23.989 / + PLOG/ 1.000000 1.100e+32 -4.773 27.620 / + PLOG/ 10.000000 1.700e+35 -5.573 32.381 / + PLOG/ 100.000000 4.500e+30 -4.166 33.356 / + +! Reaction index: Chemkin #1171; RMG #459 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), CH3CO(47); H(5), H(5); +H(5)+CH2CHO(45)<=>H(5)+CH3CO(47) 1.000e+00 0.000 0.000 + PLOG/ 0.001000 3.600e+13 0.051 4.301 / + PLOG/ 0.010000 4.600e+13 0.021 4.392 / + PLOG/ 0.100000 3.400e+14 -0.217 5.113 / + PLOG/ 1.000000 9.200e+17 -1.158 8.193 / + PLOG/ 10.000000 1.600e+22 -2.273 13.261 / + PLOG/ 100.000000 8.100e+19 -1.510 15.534 / + +! Reaction index: Chemkin #1172; RMG #460 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), CH2O(12); O(16), HCO(13); +O(16)+CH2CHO(45)<=>HCO(13)+CH2O(12) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1173; RMG #461 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), CH2O(12); O(16), H(5); O(16), CO(8); +O(16)+CH2CHO(45)<=>H(5)+CO(8)+CH2O(12) 3.000000e+23 -2.473 19.927 + +! Reaction index: Chemkin #1174; RMG #462 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), CH2CO(30); OH(3), H2O(17); +OH(3)+CH2CHO(45)<=>H2O(17)+CH2CO(30) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1175; RMG #463 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), CH2OH(26); OH(3), HCO(13); +OH(3)+CH2CHO(45)<=>HCO(13)+CH2OH(26) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1176; RMG #464 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), CH2OH(26); OH(3), H(5); OH(3), CO(8); +OH(3)+CH2CHO(45)<=>H(5)+CO(8)+CH2OH(26) 6.000000e+22 -2.473 19.927 + +! Reaction index: Chemkin #1177; RMG #465 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), CH2O(12); HO2(4), OH(3); HO2(4), HCO(13); +HO2(4)+CH2CHO(45)<=>OH(3)+HCO(13)+CH2O(12) 3.100000e+13 0.000 0.000 + +! Reaction index: Chemkin #1178; RMG #466 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), CH2O(12); O2(2), OH(3); O2(2), CO(8); +O2(2)+CH2CHO(45)<=>OH(3)+CO(8)+CH2O(12) 7.000000e+10 0.000 0.000 + +! Reaction index: Chemkin #1179; RMG #648 +! Library reaction: CurranPentane +! Flux pairs: CH2CHO(45), CH2CO(30); O2(2), HO2(4); +O2(2)+CH2CHO(45)<=>HO2(4)+CH2CO(30) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.880e+05 2.370 23.730 / + PLOG/ 0.100000 1.880e+05 2.370 27.370 / + PLOG/ 1.000000 2.510e+05 2.330 23.800 / + PLOG/ 10.000000 7.050e+07 1.630 25.290 / + +! Reaction index: Chemkin #1180; RMG #3419 +! Library reaction: FFCM1(-) +! Flux pairs: CH2CHO(45), CH2CO(30); H(5), H2(6); +H(5)+CH2CHO(45)<=>H2(6)+CH2CO(30) 1.100000e+13 0.000 0.000 + +! Reaction index: Chemkin #1181; RMG #3420 +! Library reaction: FFCM1(-) +! Flux pairs: CH2CHO(45), CO2(9); O(16), H(5); O(16), CH2(21); +O(16)+CH2CHO(45)<=>H(5)+CO2(9)+CH2(21) 1.580000e+14 0.000 0.000 + +! Reaction index: Chemkin #1182; RMG #4156 +! PDep reaction: PDepNetwork #5 +! Flux pairs: cC2H3O(61), CH2CHO(45); +cC2H3O(61)(+M)<=>CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.054e+00 1.302e+00 -2.370e-01 1.287e-02 / + CHEB/ 1.960e+00 -1.970e-01 2.397e-02 3.624e-03 / + CHEB/ -1.093e+00 1.328e-01 1.096e-01 -2.217e-02 / + CHEB/ -3.670e-01 9.006e-02 2.180e-02 -1.977e-02 / + CHEB/ -1.180e-01 9.097e-03 -6.887e-03 3.265e-03 / + CHEB/ -3.396e-02 -1.362e-02 -1.192e-04 7.609e-03 / + +! Reaction index: Chemkin #1183; RMG #6376 +! PDep reaction: PDepNetwork #235 +! Flux pairs: CH2CHO(45), CH3CO(47); +CH2CHO(45)(+M)<=>CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.086e+00 1.700e+00 -4.961e-02 -3.910e-03 / + CHEB/ 1.177e+01 3.276e-01 -6.720e-02 -3.984e-03 / + CHEB/ 8.200e-02 2.099e-01 -3.109e-02 -7.002e-03 / + CHEB/ 5.769e-03 9.387e-02 -5.736e-03 -6.975e-03 / + CHEB/ 2.350e-03 2.197e-02 3.513e-03 -3.761e-03 / + CHEB/ 9.502e-03 -7.410e-03 2.807e-03 -7.684e-04 / + +! Reaction index: Chemkin #1184; RMG #5584 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+CH2CHO(45)<=>FA(1)+CH2CO(30) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1185; RMG #5587 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+CH2CHO(45)<=>FA(1)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1186; RMG #5605 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+CH2CHO(45)<=>H2O2(18)+CH2CO(30) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1187; RMG #5618 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+CH2CHO(45)<=>CH2O3(1000)+CH2CO(30) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1188; RMG #5631 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCO(13)+CH2CHO(45)<=>CH2O(12)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1189; RMG #5635 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH3(7)+CH2CHO(45)<=>CH4(20)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1190; RMG #5682 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +O(16)+CH2CHO(45)<=>OH(3)+CH2CO(30) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1191; RMG #5688 +! Template reaction: H_Abstraction +! Flux pairs: CH2CHO(45), CHCHO(51); OH(3), H2O(17); +! From training reaction 218 used for Cd/H2/NonDeC;O_pri_rad +! Exact match found for rate rule [Cd/H2/NonDeC;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+CH2CHO(45)<=>H2O(17)+CHCHO(51) 6.500000e-02 4.200 -0.860 + +! Reaction index: Chemkin #1192; RMG #5756 +! Template reaction: H_Abstraction +! Flux pairs: CH2CHO(45), CHCHO(51); H(5), H2(6); +! From training reaction 217 used for Cd/H2/NonDeC;H_rad +! Exact match found for rate rule [Cd/H2/NonDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(5)+CH2CHO(45)<=>H2(6)+CHCHO(51) 1.200000e+02 3.620 11.266 + +! Reaction index: Chemkin #1193; RMG #5784 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +CH3O(27)+CH2CHO(45)<=>CH3OH(25)+CH2CO(30) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1194; RMG #5787 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2OH(26)+CH2CHO(45)<=>CH3OH(25)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1195; RMG #6036 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +HOCH2O(38)+CH2CHO(45)<=>OCO(1022)+CH2CO(30) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1196; RMG #6037 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +O[CH]O(970)+CH2CHO(45)<=>OCO(1022)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1197; RMG #6046 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2HO3(993)+CH2CHO(45)<=>CH2CO(30)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1198; RMG #6047 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +C2HO3(991)+CH2CHO(45)<=>CH2CO(30)+C2H2O3(977) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1199; RMG #10098 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), cC2H3O(61); CH2(21), cC2H3O(61); +HCO(13)+CH2(21)(+M)<=>cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.403e+00 1.210e+00 -5.246e-02 -2.992e-03 / + CHEB/ 1.775e+00 -5.396e-01 -7.473e-02 1.106e-03 / + CHEB/ 1.054e-01 -3.528e-01 -1.438e-02 1.174e-02 / + CHEB/ -1.284e-01 -1.634e-01 3.160e-02 1.349e-02 / + CHEB/ -1.468e-01 -3.369e-02 4.453e-02 5.649e-03 / + CHEB/ -1.096e-01 2.731e-02 3.244e-02 -4.474e-03 / + +! Reaction index: Chemkin #1200; RMG #7644 +! PDep reaction: PDepNetwork #319 +! Flux pairs: H(5), cC2H3O(61); CHCHO(51), cC2H3O(61); +H(5)+CHCHO(51)(+M)<=>cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.361e+00 1.180e+00 -6.044e-02 -4.790e-03 / + CHEB/ 1.529e+00 -5.642e-01 -7.501e-02 1.404e-03 / + CHEB/ 2.791e-02 -3.505e-01 -5.293e-03 1.394e-02 / + CHEB/ -1.458e-01 -1.554e-01 3.851e-02 1.409e-02 / + CHEB/ -1.457e-01 -2.800e-02 4.591e-02 3.975e-03 / + CHEB/ -1.075e-01 2.875e-02 3.005e-02 -6.601e-03 / + +! Reaction index: Chemkin #1201; RMG #10097 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), CH3CO(47); CH2(21), CH3CO(47); +HCO(13)+CH2(21)(+M)<=>CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.483e+00 1.518e+00 -1.424e-03 -6.754e-04 / + CHEB/ 2.764e+00 -1.942e-03 -1.193e-03 -5.627e-04 / + CHEB/ 5.566e-01 -1.444e-03 -8.861e-04 -4.172e-04 / + CHEB/ 1.611e-01 -1.186e-03 -7.278e-04 -3.424e-04 / + CHEB/ 3.863e-02 -8.167e-04 -5.004e-04 -2.348e-04 / + CHEB/ -2.096e-03 -4.929e-04 -3.014e-04 -1.408e-04 / + +! Reaction index: Chemkin #1202; RMG #7643 +! PDep reaction: PDepNetwork #319 +! Flux pairs: H(5), CH3CO(47); CHCHO(51), CH3CO(47); +H(5)+CHCHO(51)(+M)<=>CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.472e+00 1.506e+00 -7.584e-03 -2.552e-03 / + CHEB/ 2.598e+00 -2.674e-03 -2.218e-03 -1.451e-03 / + CHEB/ 4.701e-01 4.013e-03 1.435e-03 -9.715e-05 / + CHEB/ 1.106e-01 -1.072e-03 -4.206e-04 -5.826e-05 / + CHEB/ 1.417e-02 -2.272e-03 -1.068e-03 -2.587e-04 / + CHEB/ -1.107e-02 -1.172e-03 -6.949e-04 -2.869e-04 / + +! Reaction index: Chemkin #1203; RMG #6358 +! PDep reaction: PDepNetwork #6 +! Flux pairs: CH3CO(47), H(5); CH3CO(47), C2H2O(1085); +CH3CO(47)(+M)<=>H(5)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.278e+01 1.347e+00 -4.551e-02 -6.331e-03 / + CHEB/ 4.109e+01 -2.927e-01 -6.742e-02 -5.897e-03 / + CHEB/ -4.508e-02 -1.738e-01 -2.118e-02 4.918e-03 / + CHEB/ -3.112e-01 -5.823e-02 1.572e-02 9.790e-03 / + CHEB/ -2.360e-01 1.321e-02 2.828e-02 6.602e-03 / + CHEB/ -1.290e-01 3.734e-02 2.126e-02 -7.634e-05 / + +! Reaction index: Chemkin #1204; RMG #10104 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), CO(8); CH2(21), CH3(7); +HCO(13)+CH2(21)(+M)<=>CO(8)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.684e+00 -2.242e-03 -1.381e-03 -6.548e-04 / + CHEB/ 2.184e+00 -1.811e-03 -1.112e-03 -5.249e-04 / + CHEB/ 2.866e-01 -1.336e-03 -8.199e-04 -3.861e-04 / + CHEB/ -2.821e-03 -1.104e-03 -6.771e-04 -3.186e-04 / + CHEB/ -4.651e-02 -7.570e-04 -4.639e-04 -2.178e-04 / + CHEB/ -4.506e-02 -4.525e-04 -2.768e-04 -1.294e-04 / + +! Reaction index: Chemkin #1205; RMG #7648 +! PDep reaction: PDepNetwork #319 +! Flux pairs: CHCHO(51), CO(8); H(5), CH3(7); +H(5)+CHCHO(51)(+M)<=>CO(8)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.604e+00 -1.415e-02 -7.393e-03 -2.489e-03 / + CHEB/ 2.046e+00 -2.226e-03 -1.949e-03 -1.331e-03 / + CHEB/ 2.131e-01 4.278e-03 1.616e-03 -8.114e-07 / + CHEB/ -4.819e-02 -8.665e-04 -2.970e-04 -1.103e-06 / + CHEB/ -6.894e-02 -2.140e-03 -9.950e-04 -2.297e-04 / + CHEB/ -5.296e-02 -1.100e-03 -6.549e-04 -2.714e-04 / + +! Reaction index: Chemkin #1206; RMG #6365 +! PDep reaction: PDepNetwork #71 +! Flux pairs: CO(8), C2H2O(1085); CH3(7), H(5); +CO(8)+CH3(7)(+M)<=>H(5)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.689e+01 -1.687e-01 -4.479e-02 -6.396e-03 / + CHEB/ 3.720e+01 -2.832e-01 -6.620e-02 -6.041e-03 / + CHEB/ -2.351e-01 -1.665e-01 -2.051e-02 4.756e-03 / + CHEB/ -4.234e-01 -5.364e-02 1.581e-02 9.648e-03 / + CHEB/ -2.998e-01 1.538e-02 2.797e-02 6.530e-03 / + CHEB/ -1.631e-01 3.786e-02 2.085e-02 -5.307e-05 / + +! Reaction index: Chemkin #1207; RMG #6369 +! Template reaction: CO_Disproportionation +! Flux pairs: CHCHO(51), CH2CHO(45); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_4CO->C_Ext-5C-R +HCO(13)+CHCHO(51)<=>CO(8)+CH2CHO(45) 6.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1208; RMG #6370 +! Template reaction: Disproportionation +! Flux pairs: CHCHO(51), CH2CHO(45); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +HOCO(10)+CHCHO(51)<=>CO2(9)+CH2CHO(45) 1.210000e+12 0.000 0.000 + +! Reaction index: Chemkin #1209; RMG #6371 +! Template reaction: Disproportionation +! Flux pairs: CHCHO(51), CH2CHO(45); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+CHCHO(51)<=>CO2(9)+CH2CHO(45) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1210; RMG #10096 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), CH2CHO(45); CH2(21), CH2CHO(45); +HCO(13)+CH2(21)(+M)<=>CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.013e+00 1.520e+00 -5.154e-04 -2.435e-04 / + CHEB/ 1.953e+00 -1.562e-03 -9.598e-04 -4.532e-04 / + CHEB/ 3.570e-01 -1.277e-03 -7.846e-04 -3.701e-04 / + CHEB/ 7.544e-02 -9.327e-04 -5.724e-04 -2.695e-04 / + CHEB/ 9.239e-03 -6.140e-04 -3.762e-04 -1.766e-04 / + CHEB/ -1.010e-03 -3.635e-04 -2.222e-04 -1.038e-04 / + +! Reaction index: Chemkin #1211; RMG #7642 +! PDep reaction: PDepNetwork #319 +! Flux pairs: H(5), CH2CHO(45); CHCHO(51), CH2CHO(45); +H(5)+CHCHO(51)(+M)<=>CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.181e+00 1.508e+00 -6.383e-03 -1.927e-03 / + CHEB/ 1.627e+00 -1.893e-03 -1.777e-03 -1.269e-03 / + CHEB/ 2.323e-01 4.390e-03 1.589e-03 -7.873e-05 / + CHEB/ 2.901e-02 -8.186e-04 -2.616e-04 1.498e-05 / + CHEB/ -6.126e-03 -2.069e-03 -9.266e-04 -1.822e-04 / + CHEB/ -6.378e-03 -1.011e-03 -5.954e-04 -2.386e-04 / + +! Reaction index: Chemkin #1212; RMG #6385 +! PDep reaction: PDepNetwork #138 +! Flux pairs: FA(1), O[CH]O(970); CH3(7), CH2(S)(22); +FA(1)+CH3(7)(+M)<=>CH2(S)(22)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.138e+01 -3.976e-04 -2.455e-04 -1.169e-04 / + CHEB/ 3.578e+01 3.731e-04 2.303e-04 1.097e-04 / + CHEB/ 3.243e-03 -4.261e-05 -2.628e-05 -1.249e-05 / + CHEB/ -3.987e-02 1.067e-05 6.578e-06 3.127e-06 / + CHEB/ -2.193e-02 1.566e-06 9.689e-07 4.634e-07 / + CHEB/ -1.202e-02 -4.141e-08 -2.553e-08 -1.213e-08 / + +! Reaction index: Chemkin #1213; RMG #6390 +! PDep reaction: PDepNetwork #235 +! Flux pairs: CH2CHO(45), H(5); CH2CHO(45), C2H2O(1085); +CH2CHO(45)(+M)<=>H(5)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.835e+01 1.348e+00 -4.505e-02 -6.142e-03 / + CHEB/ 3.813e+01 -2.917e-01 -6.742e-02 -5.962e-03 / + CHEB/ -2.859e-01 -1.727e-01 -2.106e-02 4.907e-03 / + CHEB/ -4.259e-01 -5.709e-02 1.593e-02 9.821e-03 / + CHEB/ -2.802e-01 1.409e-02 2.842e-02 6.619e-03 / + CHEB/ -1.336e-01 3.788e-02 2.130e-02 -7.546e-05 / + +! Reaction index: Chemkin #1214; RMG #6391 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); CH2(21), CH3(7); +! Estimated using template [CO/H/NonDe;Y_1centerbirad] for rate rule [CO/H/NonDe;CH2_triplet] +! Euclidian distance = 1.0 +! family: H_Abstraction +CH2(21)+FA(1)<=>HOCO(10)+CH3(7) 5.800000e+12 0.000 1.808 + +! Reaction index: Chemkin #1215; RMG #4545 +! PDep reaction: PDepNetwork #24 +! Flux pairs: FA(1), C2H3O3(1011); CH2O(12), H(5); +CH2O(12)+FA(1)(+M)<=>H(5)+C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.295e+01 -1.113e+00 -8.692e-02 1.155e-02 / + CHEB/ 2.807e+01 5.663e-01 -6.709e-02 -1.048e-02 / + CHEB/ 1.929e-01 2.727e-01 1.075e-02 -1.711e-02 / + CHEB/ -7.941e-02 7.240e-02 3.272e-02 -7.076e-03 / + CHEB/ -9.724e-02 -1.390e-02 2.120e-02 2.601e-03 / + CHEB/ -5.172e-02 -2.811e-02 4.925e-03 5.057e-03 / + +! Reaction index: Chemkin #1216; RMG #5375 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); C2H3O3(1011), C2H2O3(976); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C +H(5)+C2H3O3(1011)<=>H2(6)+C2H2O3(976) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1217; RMG #5380 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); C2H3O3(1011), C2H2O3(976); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +OH(3)+C2H3O3(1011)<=>H2O(17)+C2H2O3(976) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #1218; RMG #5662 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), C2H2O3(976); C2H3O3(1011), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2H3O3(1011)<=>FA(1)+C2H2O3(976) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1219; RMG #5664 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1011), C2H2O3(976); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+C2H3O3(1011)<=>FA(1)+C2H2O3(976) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1220; RMG #5677 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), C2H2O3(976); C2H3O3(1011), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+C2H3O3(1011)<=>CH2O3(1000)+C2H2O3(976) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1221; RMG #6402 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), HCO(13); C2H3O3(1011), FA(1); +C2H3O3(1011)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.802e+00 7.362e-01 -7.967e-02 1.968e-03 / + CHEB/ 4.886e+00 7.484e-01 1.650e-02 -1.621e-02 / + CHEB/ -5.609e-01 8.773e-02 5.551e-02 2.890e-03 / + CHEB/ -1.109e-01 -4.585e-02 3.838e-03 7.124e-03 / + CHEB/ -2.097e-03 -2.773e-02 -5.939e-03 2.678e-04 / + CHEB/ -1.098e-02 8.518e-04 -1.668e-03 -8.964e-04 / + +! Reaction index: Chemkin #1222; RMG #5774 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), C2H2O3(976); C2H3O3(1011), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HCO(13)+C2H3O3(1011)<=>CH2O(12)+C2H2O3(976) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1223; RMG #5778 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); C2H3O3(1011), C2H2O3(976); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +CH3O(27)+C2H3O3(1011)<=>CH3OH(25)+C2H2O3(976) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #1224; RMG #5780 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1011), C2H2O3(976); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +CH2OH(26)+C2H3O3(1011)<=>CH3OH(25)+C2H2O3(976) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #1225; RMG #5788 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); C2H3O3(1011), C2H2O3(976); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C +O(16)+C2H3O3(1011)<=>OH(3)+C2H2O3(976) 9.040000e+13 0.000 0.000 + +! Reaction index: Chemkin #1226; RMG #5935 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); C2H3O3(1011), C2H2O3(976); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +HO2(4)+C2H3O3(1011)<=>H2O2(18)+C2H2O3(976) 1.210000e+13 0.000 0.000 + +! Reaction index: Chemkin #1227; RMG #5943 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), C2H2O3(976); C2H3O3(1011), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(989)+C2H3O3(1011)<=>CH2O4(1005)+C2H2O3(976) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1228; RMG #5945 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1011), C2H2O3(976); CHO4(985), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CHO4(985)+C2H3O3(1011)<=>CH2O4(1005)+C2H2O3(976) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1229; RMG #6014 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); C2H3O3(1011), C2H2O3(976); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +CH3(7)+C2H3O3(1011)<=>CH4(20)+C2H2O3(976) 8.490000e+13 0.000 0.000 + +! Reaction index: Chemkin #1230; RMG #6020 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); C2H3O3(1011), C2H2O3(976); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCH2O(38)+C2H3O3(1011)<=>OCO(1022)+C2H2O3(976) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1231; RMG #6021 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1011), C2H2O3(976); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[CH]O(970)+C2H3O3(1011)<=>OCO(1022)+C2H2O3(976) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #1232; RMG #6198 +! PDep reaction: PDepNetwork #186 +! Flux pairs: H(5), C2H3O3(1011); C2H2O3(976), C2H3O3(1011); +H(5)+C2H2O3(976)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.512e+00 1.337e+00 -8.496e-02 -2.141e-02 / + CHEB/ 2.250e+00 2.467e-01 1.056e-01 2.004e-02 / + CHEB/ 5.235e-02 -7.879e-02 -2.305e-02 3.969e-03 / + CHEB/ 5.876e-02 9.571e-03 -3.840e-03 -6.293e-03 / + CHEB/ 3.586e-02 -5.104e-03 -5.950e-05 9.957e-04 / + CHEB/ -2.581e-02 4.254e-03 2.110e-03 8.584e-04 / + +! Reaction index: Chemkin #1233; RMG #6393 +! PDep reaction: PDepNetwork #82 +! Flux pairs: CO(8), C2H3O3(1011); O[CH]O(970), C2H3O3(1011); +CO(8)+O[CH]O(970)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.731e+00 5.718e-01 -2.905e-01 -4.958e-02 / + CHEB/ 9.790e+00 9.253e-01 1.930e-01 2.953e-03 / + CHEB/ 3.952e-01 -6.393e-02 3.427e-02 8.588e-03 / + CHEB/ 1.250e-01 -2.029e-02 6.898e-03 1.285e-02 / + CHEB/ 5.865e-02 -1.076e-02 -5.995e-03 2.576e-03 / + CHEB/ -1.440e-02 1.457e-02 1.526e-03 -2.304e-03 / + +! Reaction index: Chemkin #1234; RMG #6410 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); CHCHO(51), HCCO(53); +! Estimated from node Root_Ext-1R!H-R +O(16)+CHCHO(51)<=>OH(3)+HCCO(53) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1235; RMG #2783 +! Library reaction: CurranPentane +! Flux pairs: OCH2CHO(510), HCO(13); OCH2CHO(510), CH2O(12); +OCH2CHO(510)<=>HCO(13)+CH2O(12) 2.900000e+12 0.380 11.080 + +! Reaction index: Chemkin #1236; RMG #6540 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), CO(8); OCH2CHO(510), CH2OH(26); +OCH2CHO(510)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.448e+00 6.207e-01 -1.239e-01 6.019e-03 / + CHEB/ 5.917e+00 5.466e-01 1.874e-02 -3.205e-02 / + CHEB/ -1.086e-01 8.749e-02 5.610e-02 -5.707e-03 / + CHEB/ -5.224e-02 -1.142e-02 1.512e-02 1.036e-02 / + CHEB/ -3.778e-02 7.509e-03 -7.382e-03 6.059e-03 / + CHEB/ -3.629e-02 2.209e-02 -5.819e-03 4.551e-04 / + +! Reaction index: Chemkin #1237; RMG #6528 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), C2H3O2(1042); +OCH2CHO(510)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.387e-01 2.123e+00 -1.246e-01 6.765e-03 / + CHEB/ 5.540e+00 5.336e-01 1.390e-02 -3.155e-02 / + CHEB/ 6.011e-02 9.006e-02 5.495e-02 -7.120e-03 / + CHEB/ 4.260e-02 -8.389e-03 1.722e-02 9.325e-03 / + CHEB/ -3.575e-02 8.130e-03 -5.605e-03 6.024e-03 / + CHEB/ -6.736e-02 2.228e-02 -5.460e-03 7.579e-04 / + +! Reaction index: Chemkin #1238; RMG #5462 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OH(3)+OCH2CHO(510)<=>H2O(17)+OCHCHO(52) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1239; RMG #5467 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(5)+OCH2CHO(510)<=>H2(6)+OCHCHO(52) 1.191692e+10 0.568 0.000 + +! Reaction index: Chemkin #1240; RMG #5577 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+OCH2CHO(510)<=>FA(1)+OCHCHO(52) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1241; RMG #5579 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+OCH2CHO(510)<=>FA(1)+OCHCHO(52) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1242; RMG #5595 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+OCH2CHO(510)<=>CH2O(12)+OCHCHO(52) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1243; RMG #5602 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HO2(4)+OCH2CHO(510)<=>H2O2(18)+OCHCHO(52) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1244; RMG #5607 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); CHO4(989), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO4(989)+OCH2CHO(510)<=>CH2O4(1005)+OCHCHO(52) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1245; RMG #5609 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); CHO4(985), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(985)+OCH2CHO(510)<=>CH2O4(1005)+OCHCHO(52) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1246; RMG #5613 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+OCH2CHO(510)<=>CH2O3(1000)+OCHCHO(52) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1247; RMG #5622 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +CH3(7)+OCH2CHO(510)<=>CH4(20)+OCHCHO(52) 1.191692e+10 0.568 0.000 + +! Reaction index: Chemkin #1248; RMG #5624 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3O(27)+OCH2CHO(510)<=>CH3OH(25)+OCHCHO(52) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1249; RMG #5626 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+OCH2CHO(510)<=>CH3OH(25)+OCHCHO(52) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1250; RMG #5628 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); OCHCO(63), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +OCHCO(63)+OCH2CHO(510)<=>OCHCHO(52)+OCHCHO(52) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #1251; RMG #5706 +! PDep reaction: PDepNetwork #179 +! Flux pairs: OH(3), OCH2CHO(510); CH2CO(30), OCH2CHO(510); +OH(3)+CH2CO(30)(+M)<=>OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.114e+00 7.918e-01 -1.253e-01 1.574e-03 / + CHEB/ 3.317e+00 5.881e-01 6.563e-02 -3.057e-02 / + CHEB/ 4.779e-01 4.556e-02 5.388e-02 9.773e-03 / + CHEB/ 1.352e-01 -2.106e-02 -7.178e-03 1.432e-02 / + CHEB/ 3.230e-02 1.073e-02 -1.495e-02 1.656e-03 / + CHEB/ -4.534e-03 1.767e-02 -1.668e-03 -2.992e-03 / + +! Reaction index: Chemkin #1252; RMG #5822 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+OCH2CHO(510)<=>OCO(1022)+OCHCHO(52) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1253; RMG #5823 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+OCH2CHO(510)<=>OCO(1022)+OCHCHO(52) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1254; RMG #5974 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); O2CHO(67), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2CHO(67)+OCH2CHO(510)<=>HO2CHO(68)+OCHCHO(52) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1255; RMG #5976 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); CHO3(1009), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CHO3(1009)+OCH2CHO(510)<=>HO2CHO(68)+OCHCHO(52) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1256; RMG #6030 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); OCH2CHO(510), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +C2HO3(993)+OCH2CHO(510)<=>OCHCHO(52)+C2H2O3(977) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1257; RMG #6031 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); OCH2CHO(510), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C2HO3(991)+OCH2CHO(510)<=>OCHCHO(52)+C2H2O3(977) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #1258; RMG #6408 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O(16)+OCH2CHO(510)<=>OH(3)+OCHCHO(52) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1259; RMG #6456 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), CH2OH(26); CO(8), CO(8); +CO(8)+CH3O(27)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.944e+01 -9.622e-03 -4.516e-03 -1.613e-03 / + CHEB/ 2.469e+01 7.084e-04 4.642e-04 6.113e-04 / + CHEB/ 2.747e-01 -2.386e-03 -1.743e-03 -8.477e-04 / + CHEB/ 8.188e-02 -6.931e-04 -4.286e-04 -2.501e-04 / + CHEB/ 2.992e-02 -1.463e-04 1.806e-05 2.194e-05 / + CHEB/ 1.324e-02 1.098e-04 1.424e-04 1.008e-04 / + +! Reaction index: Chemkin #1260; RMG #6448 +! PDep reaction: PDepNetwork #100 +! Flux pairs: CH2OH(26), CH2CHO(45); CO(8), O(16); +CO(8)+CH2OH(26)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.875e+01 -6.423e-03 -3.330e-03 -1.239e-03 / + CHEB/ 3.114e+01 2.680e-04 1.727e-04 2.190e-04 / + CHEB/ 2.678e-01 -1.749e-03 -1.244e-03 -6.637e-04 / + CHEB/ 1.031e-01 -9.601e-05 -1.039e-04 -1.046e-04 / + CHEB/ 4.236e-02 2.404e-04 1.683e-04 7.152e-05 / + CHEB/ 2.028e-02 3.246e-04 2.131e-04 1.051e-04 / + +! Reaction index: Chemkin #1261; RMG #6506 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), CH2OH(26); H(5), CO(8); +H(5)+OCHCHO(52)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.792e+00 -5.836e-01 -1.254e-01 -1.026e-02 / + CHEB/ 3.268e+00 4.223e-01 1.022e-01 -1.146e-02 / + CHEB/ 2.521e-01 3.798e-02 -1.282e-03 2.130e-02 / + CHEB/ 2.967e-02 3.074e-02 -2.644e-02 -2.706e-04 / + CHEB/ 1.088e-02 3.117e-02 2.711e-03 -9.763e-03 / + CHEB/ 9.148e-03 6.595e-03 1.571e-02 -2.943e-03 / + +! Reaction index: Chemkin #1262; RMG #6522 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), CO(8); OCH2CHO(510), CH3O(27); +OCH2CHO(510)(+M)<=>CO(8)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.777e+01 1.514e+00 -2.461e-03 -6.927e-04 / + CHEB/ 2.258e+01 -4.007e-04 -2.980e-04 1.573e-04 / + CHEB/ 8.451e-02 -3.131e-04 -5.677e-04 -3.720e-04 / + CHEB/ 5.230e-02 -1.002e-05 -8.454e-05 -1.457e-04 / + CHEB/ -1.286e-04 1.418e-04 1.538e-04 5.079e-05 / + CHEB/ -2.885e-02 1.445e-04 1.509e-04 9.111e-05 / + +! Reaction index: Chemkin #1263; RMG #6453 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CO(8), C2H3O2(1042); CH3O(27), C2H3O2(1042); +CO(8)+CH3O(27)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.274e+01 1.512e+00 -4.094e-03 -1.535e-03 / + CHEB/ 2.446e+01 2.416e-03 1.234e-03 7.688e-04 / + CHEB/ 4.907e-01 -1.161e-03 -1.172e-03 -7.160e-04 / + CHEB/ 1.900e-01 4.694e-05 -7.916e-05 -1.636e-04 / + CHEB/ 3.525e-02 2.220e-04 1.881e-04 6.381e-05 / + CHEB/ -1.652e-02 2.415e-04 1.977e-04 1.119e-04 / + +! Reaction index: Chemkin #1264; RMG #6454 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), CH2CHO(45); CO(8), O(16); +CO(8)+CH3O(27)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.807e+01 -1.616e-03 -7.323e-04 -2.221e-04 / + CHEB/ 2.986e+01 5.095e-04 1.549e-04 3.423e-05 / + CHEB/ 6.986e-01 2.032e-04 9.354e-06 -6.914e-05 / + CHEB/ 1.919e-01 4.868e-05 3.377e-05 1.227e-06 / + CHEB/ 4.195e-02 1.125e-06 2.848e-05 2.648e-05 / + CHEB/ 4.109e-03 -7.409e-06 7.230e-06 1.415e-05 / + +! Reaction index: Chemkin #1265; RMG #6504 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), CH3O(27); H(5), CO(8); +H(5)+OCHCHO(52)(+M)<=>CO(8)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.790e+00 -5.348e-03 -2.118e-03 -6.233e-04 / + CHEB/ 1.669e+01 8.362e-04 2.015e-04 2.447e-04 / + CHEB/ 3.881e-02 3.470e-04 -2.542e-04 -2.958e-04 / + CHEB/ 1.514e-02 2.621e-04 6.272e-05 -9.274e-05 / + CHEB/ 1.176e-02 2.058e-04 1.848e-04 6.844e-05 / + CHEB/ 7.330e-03 1.209e-04 1.263e-04 8.234e-05 / + +! Reaction index: Chemkin #1266; RMG #6467 +! PDep reaction: PDepNetwork #179 +! Flux pairs: CH2CO(30), CH3O(27); OH(3), CO(8); +OH(3)+CH2CO(30)(+M)<=>CO(8)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.388e+01 -1.002e-02 -4.205e-03 -1.359e-03 / + CHEB/ 1.929e+01 3.046e-03 1.139e-03 6.842e-04 / + CHEB/ 4.442e-01 1.812e-05 -8.929e-04 -7.925e-04 / + CHEB/ 1.546e-01 4.956e-04 1.869e-04 -1.131e-04 / + CHEB/ 6.144e-02 2.403e-04 2.991e-04 1.373e-04 / + CHEB/ 2.858e-02 2.094e-04 2.056e-04 1.404e-04 / + +! Reaction index: Chemkin #1267; RMG #6463 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), O(16); C2H3O2(1042), CH2CHO(45); +C2H3O2(1042)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.284e+01 1.516e+00 -2.695e-03 -1.116e-03 / + CHEB/ 3.313e+01 1.981e-03 1.097e-03 5.133e-04 / + CHEB/ 2.254e-01 -1.138e-03 -8.453e-04 -4.824e-04 / + CHEB/ 1.109e-01 -5.764e-05 -5.928e-05 -6.262e-05 / + CHEB/ 1.703e-02 7.478e-05 6.779e-05 3.575e-05 / + CHEB/ -1.884e-02 1.301e-04 9.397e-05 5.403e-05 / + +! Reaction index: Chemkin #1268; RMG #6503 +! PDep reaction: PDepNetwork #247 +! Flux pairs: H(5), C2H3O2(1042); OCHCHO(52), C2H3O2(1042); +H(5)+OCHCHO(52)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.658e+00 9.289e-01 -1.267e-01 -9.896e-03 / + CHEB/ 2.915e+00 4.218e-01 1.020e-01 -1.245e-02 / + CHEB/ 4.406e-01 3.931e-02 8.239e-04 2.149e-02 / + CHEB/ 1.334e-01 3.146e-02 -2.671e-02 7.811e-04 / + CHEB/ 1.636e-02 3.315e-02 1.203e-03 -9.570e-03 / + CHEB/ -2.013e-02 8.836e-03 1.528e-02 -3.534e-03 / + +! Reaction index: Chemkin #1269; RMG #6468 +! PDep reaction: PDepNetwork #179 +! Flux pairs: CH2CO(30), CH2CHO(45); OH(3), O(16); +OH(3)+CH2CO(30)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.851e+01 -7.013e-03 -3.187e-03 -9.819e-04 / + CHEB/ 2.298e+01 3.042e-03 1.156e-03 3.437e-04 / + CHEB/ 4.241e-01 3.031e-04 -3.673e-04 -5.063e-04 / + CHEB/ 1.540e-01 1.636e-04 1.623e-04 3.922e-05 / + CHEB/ 6.341e-02 -1.399e-04 6.467e-05 1.033e-04 / + CHEB/ 3.220e-02 2.577e-05 4.477e-05 5.501e-05 / + +! Reaction index: Chemkin #1270; RMG #6507 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), CH2CO(30); H(5), OH(3); +H(5)+OCHCHO(52)(+M)<=>OH(3)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.412e+00 -5.098e-01 -1.124e-01 -1.331e-02 / + CHEB/ 4.912e+00 4.260e-01 1.052e-01 -2.116e-03 / + CHEB/ 6.602e-01 3.540e-02 -1.322e-02 1.847e-02 / + CHEB/ 1.433e-01 2.737e-02 -1.753e-02 -7.436e-03 / + CHEB/ 4.855e-02 1.370e-02 1.445e-02 -8.063e-03 / + CHEB/ 2.256e-02 -1.001e-02 1.444e-02 2.770e-03 / + +! Reaction index: Chemkin #1271; RMG #6478 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), O(16); C2HO3(1055), OCHCO(63); +C2HO3(1055)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.644e+01 1.298e+00 -9.939e-02 -2.556e-02 / + CHEB/ 2.126e+01 1.822e-01 7.452e-02 1.531e-02 / + CHEB/ -2.230e-01 1.678e-02 8.749e-03 2.323e-03 / + CHEB/ -3.352e-02 8.454e-04 2.184e-04 3.468e-05 / + CHEB/ -1.641e-02 -2.939e-03 4.774e-04 9.216e-04 / + CHEB/ -2.486e-02 -2.267e-03 -1.029e-03 -2.112e-04 / + +! Reaction index: Chemkin #1272; RMG #6482 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), O-2(1040); C2HO3(1055), OCHCO(63); +C2HO3(1055)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.933e+01 1.513e+00 -4.455e-03 -1.809e-03 / + CHEB/ 3.621e+01 4.047e-03 2.204e-03 8.053e-04 / + CHEB/ -2.447e-01 -2.434e-04 -2.130e-04 -1.505e-04 / + CHEB/ -2.966e-01 -4.767e-04 -3.255e-04 -1.821e-04 / + CHEB/ -6.339e-02 -3.477e-04 -2.050e-04 -9.202e-05 / + CHEB/ 1.036e-02 -4.078e-04 -2.156e-04 -7.439e-05 / + +! Reaction index: Chemkin #1273; RMG #6483 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), O(16); C2HO3(1055), C2HO2(1001); +C2HO3(1055)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.079e+01 1.261e+00 -1.139e-01 -2.447e-02 / + CHEB/ 2.341e+01 2.112e-01 8.560e-02 1.333e-02 / + CHEB/ -3.074e-01 2.484e-02 1.105e-02 2.017e-03 / + CHEB/ -6.657e-02 5.753e-04 4.700e-07 -2.366e-04 / + CHEB/ -3.350e-02 -1.044e-02 -2.156e-03 1.176e-03 / + CHEB/ -3.782e-02 -2.521e-03 -5.635e-04 2.882e-04 / + +! Reaction index: Chemkin #1274; RMG #6502 +! PDep reaction: PDepNetwork #247 +! Flux pairs: H(5), OCH2CHO(510); OCHCHO(52), OCH2CHO(510); +H(5)+OCHCHO(52)(+M)<=>OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.009e+01 8.935e-01 -1.430e-01 -5.427e-03 / + CHEB/ 1.493e+00 4.465e-01 9.324e-02 -2.858e-02 / + CHEB/ -1.046e-01 3.242e-02 3.756e-02 1.621e-02 / + CHEB/ -3.241e-02 -7.300e-03 -1.103e-02 1.103e-02 / + CHEB/ -2.336e-02 1.494e-02 -1.035e-02 1.827e-04 / + CHEB/ -2.782e-02 1.749e-02 5.557e-04 -2.322e-03 / + +! Reaction index: Chemkin #1275; RMG #6505 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), CH2CHO(45); H(5), O(16); +H(5)+OCHCHO(52)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.155e+01 -1.958e-03 -8.825e-04 -2.624e-04 / + CHEB/ 2.039e+01 2.124e-04 1.180e-06 -1.130e-05 / + CHEB/ 2.059e-02 1.671e-04 -4.177e-05 -1.032e-04 / + CHEB/ 1.102e-02 9.441e-05 3.924e-05 -1.246e-05 / + CHEB/ 7.793e-03 4.718e-05 5.329e-05 3.113e-05 / + CHEB/ 5.190e-03 2.134e-05 2.842e-05 2.438e-05 / + +! Reaction index: Chemkin #1276; RMG #6523 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), O(16); OCH2CHO(510), CH2CHO(45); +OCH2CHO(510)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.299e+01 1.518e+00 -9.942e-04 -2.904e-04 / + CHEB/ 2.633e+01 -1.409e-04 -1.674e-04 -5.579e-05 / + CHEB/ 9.303e-02 -1.704e-05 -1.413e-04 -1.367e-04 / + CHEB/ 6.031e-02 2.305e-05 -2.968e-06 -3.058e-05 / + CHEB/ 2.518e-05 3.369e-05 4.671e-05 2.753e-05 / + CHEB/ -3.077e-02 3.133e-05 3.717e-05 2.885e-05 / + +! Reaction index: Chemkin #1277; RMG #6534 +! PDep reaction: PDepNetwork #171 +! Flux pairs: CH2CO(30), CO2(9); H2O(17), CH4(20); +H2O(17)+CH2CO(30)(+M)<=>CO2(9)+CH4(20)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.376e+00 -1.177e+00 -3.849e-02 -3.355e-05 / + CHEB/ 1.657e+01 5.918e-01 -5.459e-02 -2.944e-03 / + CHEB/ 6.758e-01 3.709e-01 -9.018e-03 -6.890e-03 / + CHEB/ 1.962e-04 1.502e-01 2.264e-02 -5.882e-03 / + CHEB/ -7.610e-02 1.365e-02 2.590e-02 -9.404e-04 / + CHEB/ -4.200e-02 -3.371e-02 1.261e-02 2.823e-03 / + +! Reaction index: Chemkin #1278; RMG #6536 +! PDep reaction: PDepNetwork #171 +! Flux pairs: CH2CO(30), CH3CO2(73); H2O(17), H(5); +H2O(17)+CH2CO(30)(+M)<=>H(5)+CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.008e+01 -6.703e-01 -1.407e-01 9.813e-03 / + CHEB/ 2.555e+01 6.319e-01 7.337e-02 -3.274e-02 / + CHEB/ 1.943e-01 1.070e-01 7.163e-02 8.411e-03 / + CHEB/ 2.442e-02 -3.663e-02 1.136e-02 1.406e-02 / + CHEB/ -3.157e-03 -3.619e-02 -1.265e-02 2.867e-03 / + CHEB/ -8.633e-04 -1.369e-02 -1.016e-02 -3.046e-03 / + +! Reaction index: Chemkin #1279; RMG #6756 +! PDep reaction: PDepNetwork #236 +! Flux pairs: HOCO(10), CH2CO(30); CH3(7), H2O(17); +HOCO(10)+CH3(7)(+M)<=>H2O(17)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.126e+01 -1.021e+00 -7.481e-02 7.099e-03 / + CHEB/ 1.071e+00 7.047e-01 -4.576e-02 -1.265e-02 / + CHEB/ 1.294e-01 2.926e-01 4.124e-02 -1.591e-02 / + CHEB/ -6.268e-02 4.250e-02 4.646e-02 -7.731e-04 / + CHEB/ -5.640e-02 -3.691e-02 1.671e-02 7.808e-03 / + CHEB/ -2.716e-02 -3.477e-02 -4.063e-03 5.639e-03 / + +! Reaction index: Chemkin #1280; RMG #6555 +! PDep reaction: PDepNetwork #252 +! Flux pairs: C2H2O(1080), CH2CO(30); +C2H2O(1080)(+M)<=>CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.155e+00 1.259e+00 -1.103e-01 -2.036e-02 / + CHEB/ 3.401e+00 2.148e-01 6.127e-02 5.773e-03 / + CHEB/ -3.982e-01 2.738e-02 4.825e-03 3.636e-03 / + CHEB/ -1.172e-01 4.654e-03 -4.713e-03 -7.304e-05 / + CHEB/ -2.888e-02 6.132e-03 -2.955e-03 -7.331e-04 / + CHEB/ -2.725e-03 4.776e-03 -8.384e-04 -3.231e-04 / + +! Reaction index: Chemkin #1281; RMG #6562 +! PDep reaction: PDepNetwork #252 +! Flux pairs: C2H2O(1080), CHCHO(51); +C2H2O(1080)(+M)<=>CHCHO(51)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.445e+00 1.281e+00 -1.092e-01 -2.201e-02 / + CHEB/ 3.987e+00 2.497e-01 6.674e-02 7.496e-03 / + CHEB/ -4.850e-02 4.726e-02 4.602e-03 3.181e-03 / + CHEB/ -9.411e-03 1.941e-02 -4.486e-03 -4.220e-04 / + CHEB/ -3.104e-02 1.587e-02 -2.334e-03 -9.349e-04 / + CHEB/ -3.009e-02 1.054e-02 -1.020e-04 -4.012e-04 / + +! Reaction index: Chemkin #1282; RMG #6563 +! PDep reaction: PDepNetwork #252 +! Flux pairs: C2H2O(1080), C2H2O(1085); +C2H2O(1080)(+M)<=>C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.436e+00 1.336e+00 -1.002e-01 -2.112e-02 / + CHEB/ 3.878e+00 3.058e-01 6.969e-02 8.778e-03 / + CHEB/ -1.653e-01 8.172e-02 2.275e-03 2.368e-03 / + CHEB/ -2.236e-03 4.159e-02 -6.064e-03 -1.577e-03 / + CHEB/ 1.608e-02 2.842e-02 -2.318e-03 -1.660e-03 / + CHEB/ 5.408e-03 1.631e-02 6.161e-04 -7.066e-04 / + +! Reaction index: Chemkin #1283; RMG #6516 +! PDep reaction: PDepNetwork #248 +! Flux pairs: H(5), C2H2O(1080); HCCO(53), C2H2O(1080); +H(5)+HCCO(53)(+M)<=>C2H2O(1080)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.144e+01 3.394e-01 -6.393e-02 -7.699e-04 / + CHEB/ -2.515e-01 5.092e-01 -4.329e-02 -4.080e-03 / + CHEB/ -6.115e-02 2.190e-01 6.275e-03 -7.327e-03 / + CHEB/ 8.422e-03 6.450e-02 1.331e-02 -1.496e-03 / + CHEB/ 2.080e-02 1.513e-02 5.574e-03 9.495e-04 / + CHEB/ 1.267e-02 4.050e-03 1.306e-03 4.517e-04 / + +! Reaction index: Chemkin #1284; RMG #6545 +! PDep reaction: PDepNetwork #164 +! Flux pairs: CH2CO(30), CH(23); CH2CO(30), HCO(13); +CH2CO(30)(+M)<=>CH(23)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.360e+01 1.514e+00 -4.345e-03 -2.052e-03 / + CHEB/ 5.177e+01 6.791e-05 4.549e-05 2.498e-05 / + CHEB/ -3.050e-01 -1.889e-03 -1.155e-03 -5.395e-04 / + CHEB/ -1.620e-01 -9.614e-04 -5.892e-04 -2.766e-04 / + CHEB/ -7.682e-02 -3.549e-04 -2.179e-04 -1.027e-04 / + CHEB/ -2.629e-02 -1.402e-04 -8.673e-05 -4.144e-05 / + +! Reaction index: Chemkin #1285; RMG #6547 +! PDep reaction: PDepNetwork #173 +! Flux pairs: CHCHO(51), CH(23); CHCHO(51), HCO(13); +CHCHO(51)(+M)<=>CH(23)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.397e+01 1.511e+00 -6.092e-03 -2.882e-03 / + CHEB/ 3.595e+01 3.510e-04 2.200e-04 1.078e-04 / + CHEB/ -4.119e-02 -2.404e-03 -1.471e-03 -6.891e-04 / + CHEB/ -8.776e-02 -9.038e-04 -5.538e-04 -2.599e-04 / + CHEB/ -9.119e-02 -1.428e-04 -8.743e-05 -4.096e-05 / + CHEB/ -5.490e-02 8.370e-05 5.103e-05 2.371e-05 / + +! Reaction index: Chemkin #1286; RMG #6549 +! PDep reaction: PDepNetwork #178 +! Flux pairs: C2H2O(1085), CH(23); C2H2O(1085), HCO(13); +C2H2O(1085)(+M)<=>CH(23)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.353e+01 1.511e+00 -6.033e-03 -2.854e-03 / + CHEB/ 2.728e+01 5.027e-04 3.128e-04 1.513e-04 / + CHEB/ -2.485e-01 -2.307e-03 -1.412e-03 -6.614e-04 / + CHEB/ -1.171e-01 -8.528e-04 -5.226e-04 -2.453e-04 / + CHEB/ -5.531e-02 -1.232e-04 -7.541e-05 -3.534e-05 / + CHEB/ -2.061e-02 8.645e-05 5.273e-05 2.453e-05 / + +! Reaction index: Chemkin #1287; RMG #6551 +! PDep reaction: PDepNetwork #248 +! Flux pairs: HCCO(53), HCO(13); H(5), CH(23); +H(5)+HCCO(53)(+M)<=>CH(23)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.311e+00 -7.856e-03 -4.831e-03 -2.283e-03 / + CHEB/ 1.809e+01 3.747e-04 2.328e-04 1.122e-04 / + CHEB/ -1.431e-01 -1.908e-03 -1.167e-03 -5.458e-04 / + CHEB/ -4.929e-02 -8.698e-04 -5.333e-04 -2.505e-04 / + CHEB/ -1.700e-02 -2.510e-04 -1.540e-04 -7.250e-05 / + CHEB/ -7.122e-03 -7.673e-05 -4.748e-05 -2.272e-05 / + +! Reaction index: Chemkin #1288; RMG #6553 +! PDep reaction: PDepNetwork #252 +! Flux pairs: C2H2O(1080), CH(23); C2H2O(1080), HCO(13); +C2H2O(1080)(+M)<=>CH(23)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.223e+01 1.517e+00 -2.388e-03 -1.129e-03 / + CHEB/ 2.663e+01 8.338e-04 5.109e-04 2.398e-04 / + CHEB/ 4.006e-02 -1.259e-03 -7.716e-04 -3.623e-04 / + CHEB/ 4.483e-02 -7.611e-04 -4.675e-04 -2.205e-04 / + CHEB/ 2.608e-02 -4.467e-04 -2.742e-04 -1.292e-04 / + CHEB/ 9.498e-03 -2.888e-04 -1.771e-04 -8.326e-05 / + +! Reaction index: Chemkin #1289; RMG #6587 +! PDep reaction: PDepNetwork #253 +! Flux pairs: [O]C#CO(1004), CO(8); [O]C#CO(1004), HCO(13); +[O]C#CO(1004)(+M)<=>CO(8)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.926e+00 2.403e-01 -4.761e-02 7.154e-04 / + CHEB/ 1.357e+01 3.978e-01 -6.690e-02 -3.472e-03 / + CHEB/ -2.448e-01 2.309e-01 -2.177e-02 -8.178e-03 / + CHEB/ -1.723e-01 9.240e-02 3.952e-03 -5.951e-03 / + CHEB/ -9.198e-02 1.850e-02 7.973e-03 -1.506e-03 / + CHEB/ -4.125e-02 -7.036e-03 3.786e-03 8.435e-04 / + +! Reaction index: Chemkin #1290; RMG #4431 +! PDep reaction: PDepNetwork #40 +! Flux pairs: HOCO(10), [O]C#CO(1004); CO(8), O(16); +CO(8)+HOCO(10)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.761e+01 -3.685e-03 -1.642e-03 -3.225e-04 / + CHEB/ 4.304e+01 4.304e-04 -2.930e-05 -2.035e-04 / + CHEB/ -1.149e-01 7.503e-04 2.342e-04 -5.123e-05 / + CHEB/ -3.897e-02 8.032e-04 3.483e-04 5.426e-05 / + CHEB/ -6.548e-02 -1.469e-04 9.067e-06 6.304e-05 / + CHEB/ -5.141e-03 1.456e-04 1.050e-04 5.556e-05 / + +! Reaction index: Chemkin #1291; RMG #6577 +! PDep reaction: PDepNetwork #253 +! Flux pairs: [O]C#CO(1004), OCHCO(63); +[O]C#CO(1004)(+M)<=>OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.130e+00 1.752e+00 -4.660e-02 9.070e-04 / + CHEB/ 1.332e+01 3.843e-01 -6.588e-02 -2.997e-03 / + CHEB/ -7.116e-02 2.250e-01 -2.215e-02 -7.793e-03 / + CHEB/ -9.925e-02 9.201e-02 3.219e-03 -5.874e-03 / + CHEB/ -7.697e-02 2.006e-02 7.635e-03 -1.639e-03 / + CHEB/ -2.769e-02 -5.619e-03 3.826e-03 7.134e-04 / + +! Reaction index: Chemkin #1292; RMG #4526 +! PDep reaction: PDepNetwork #72 +! Flux pairs: C2HO3(991), O(16); C2HO3(991), [O]C#CO(1004); +C2HO3(991)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.765e+01 1.521e+00 -4.455e-05 -2.104e-05 / + CHEB/ 4.331e+01 9.624e-05 5.911e-05 2.792e-05 / + CHEB/ -3.056e-01 -3.432e-05 -2.112e-05 -1.000e-05 / + CHEB/ -2.337e-01 1.214e-05 7.492e-06 3.567e-06 / + CHEB/ -1.316e-01 -1.492e-06 -9.136e-07 -4.311e-07 / + CHEB/ -5.036e-02 3.666e-07 2.252e-07 1.068e-07 / + +! Reaction index: Chemkin #1293; RMG #4895 +! PDep reaction: PDepNetwork #45 +! Flux pairs: CO2(9), [O]C#CO(1004); HCO(13), O(16); +CO2(9)+HCO(13)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.376e+01 -1.026e-01 -5.147e-02 -1.544e-02 / + CHEB/ 4.775e+01 6.649e-02 3.232e-02 8.897e-03 / + CHEB/ -6.668e-02 2.148e-02 9.825e-03 2.118e-03 / + CHEB/ -6.462e-02 7.005e-03 3.481e-03 9.751e-04 / + CHEB/ -3.768e-02 -2.303e-03 -1.865e-04 7.072e-04 / + CHEB/ -2.100e-02 -1.233e-03 -1.720e-05 4.823e-04 / + +! Reaction index: Chemkin #1294; RMG #6586 +! PDep reaction: PDepNetwork #253 +! Flux pairs: [O]C#CO(1004), C2HO2(1001); +[O]C#CO(1004)(+M)<=>C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.013e+01 1.753e+00 -5.327e-02 -1.933e-03 / + CHEB/ 1.307e+01 4.099e-01 -6.063e-02 -6.211e-04 / + CHEB/ -2.614e-01 2.293e-01 -2.321e-02 -8.908e-03 / + CHEB/ -1.781e-01 9.301e-02 4.300e-03 -5.845e-03 / + CHEB/ -5.913e-02 1.852e-02 8.113e-03 -1.444e-03 / + CHEB/ 3.259e-02 -8.401e-03 3.060e-03 5.305e-04 / + +! Reaction index: Chemkin #1295; RMG #4956 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C +O(16)+[O]C#CO(1004)<=>OH(3)+C2O2(1002) 9.040000e+13 0.000 3.187 + +! Reaction index: Chemkin #1296; RMG #4960 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C +H(5)+[O]C#CO(1004)<=>H2(6)+C2O2(1002) 2.000000e+13 0.000 2.710 + +! Reaction index: Chemkin #1297; RMG #4962 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +OH(3)+[O]C#CO(1004)<=>H2O(17)+C2O2(1002) 2.410000e+13 0.000 0.845 + +! Reaction index: Chemkin #1298; RMG #4968 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), [O]C#CO(1004); OH(3), O(16); +OH(3)+C2O2(1002)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.633e+00 -6.621e-05 -4.067e-05 -1.921e-05 / + CHEB/ 1.255e+01 9.174e-05 5.636e-05 2.662e-05 / + CHEB/ 1.369e-01 -3.416e-05 -2.101e-05 -9.947e-06 / + CHEB/ 5.622e-02 1.089e-05 6.721e-06 3.200e-06 / + CHEB/ 2.130e-02 -1.987e-06 -1.222e-06 -5.794e-07 / + CHEB/ 8.363e-03 2.943e-07 1.799e-07 8.479e-08 / + +! Reaction index: Chemkin #1299; RMG #4975 +! PDep reaction: PDepNetwork #137 +! Flux pairs: H(5), [O]C#CO(1004); C2O2(1002), [O]C#CO(1004); +H(5)+C2O2(1002)(+M)<=>[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.983e+00 1.316e+00 -8.442e-02 -1.527e-02 / + CHEB/ 5.082e-01 2.196e-01 8.239e-02 9.492e-03 / + CHEB/ -6.969e-01 -2.175e-02 -1.303e-03 4.220e-03 / + CHEB/ -2.568e-01 -1.511e-03 -1.541e-03 -4.560e-04 / + CHEB/ -8.663e-02 1.692e-04 -2.053e-04 -2.060e-04 / + CHEB/ -9.725e-03 -4.475e-03 -1.438e-03 -1.026e-05 / + +! Reaction index: Chemkin #1300; RMG #5215 +! PDep reaction: PDepNetwork #66 +! Flux pairs: OCHO(11), [O]C#CO(1004); CO(8), O(16); +CO(8)+OCHO(11)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.393e+01 -2.936e-02 -1.709e-02 -7.311e-03 / + CHEB/ 3.960e+01 2.932e-02 1.696e-02 7.159e-03 / + CHEB/ 1.911e-01 1.915e-03 1.186e-03 5.792e-04 / + CHEB/ 5.734e-02 -1.120e-03 -6.644e-04 -2.903e-04 / + CHEB/ 1.588e-02 -9.495e-04 -4.940e-04 -1.737e-04 / + CHEB/ 7.163e-03 -2.420e-04 -1.563e-04 -8.010e-05 / + +! Reaction index: Chemkin #1301; RMG #5234 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), O(16); C2HO3(990), [O]C#CO(1004); +C2HO3(990)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.606e+01 1.295e+00 -1.205e-01 -4.229e-02 / + CHEB/ 4.069e+01 1.176e-01 5.951e-02 1.818e-02 / + CHEB/ -4.437e-01 5.153e-02 2.593e-02 7.746e-03 / + CHEB/ -2.361e-01 1.636e-02 8.730e-03 3.026e-03 / + CHEB/ -7.057e-02 -6.832e-03 -2.199e-03 3.682e-04 / + CHEB/ -3.885e-02 -8.000e-03 -3.362e-03 -4.398e-04 / + +! Reaction index: Chemkin #1302; RMG #5253 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), O(16); C2HO3(1028), [O]C#CO(1004); +C2HO3(1028)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.458e+01 1.444e+00 -3.875e-02 -1.198e-02 / + CHEB/ 3.103e+01 6.297e-02 3.123e-02 9.183e-03 / + CHEB/ -1.092e-01 1.064e-02 4.948e-03 1.191e-03 / + CHEB/ -8.151e-02 1.999e-03 9.491e-04 2.270e-04 / + CHEB/ -1.510e-01 -4.381e-03 -1.566e-03 2.435e-05 / + CHEB/ -3.634e-02 -5.905e-04 -2.343e-05 1.981e-04 / + +! Reaction index: Chemkin #1303; RMG #5257 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), FA(1); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+[O]C#CO(1004)<=>FA(1)+C2O2(1002) 3.620000e+13 0.000 0.489 + +! Reaction index: Chemkin #1304; RMG #5259 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2O2(1002); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+[O]C#CO(1004)<=>FA(1)+C2O2(1002) 1.810000e+14 0.000 2.228 + +! Reaction index: Chemkin #1305; RMG #5261 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2O3(1000); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+[O]C#CO(1004)<=>CH2O3(1000)+C2O2(1002) 3.620000e+13 0.000 0.667 + +! Reaction index: Chemkin #1306; RMG #5294 +! PDep reaction: PDepNetwork #39 +! Flux pairs: HOCO(10), [O]C#CO(1004); CO(8), O-2(1040); +CO(8)+HOCO(10)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.804e+01 -1.765e-02 -1.041e-02 -4.518e-03 / + CHEB/ 5.922e+01 -1.846e-02 -1.106e-02 -4.964e-03 / + CHEB/ 8.138e-01 8.101e-03 4.478e-03 1.673e-03 / + CHEB/ 1.100e-01 1.752e-02 1.025e-02 4.376e-03 / + CHEB/ -3.602e-01 6.388e-03 3.997e-03 1.941e-03 / + CHEB/ -1.150e-01 -5.329e-03 -2.945e-03 -1.101e-03 / + +! Reaction index: Chemkin #1307; RMG #5298 +! PDep reaction: PDepNetwork #44 +! Flux pairs: CO2(9), [O]C#CO(1004); HCO(13), O-2(1040); +CO2(9)+HCO(13)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.422e+01 -1.958e-02 -1.151e-02 -4.976e-03 / + CHEB/ 6.385e+01 -1.903e-02 -1.141e-02 -5.124e-03 / + CHEB/ 7.524e-01 9.624e-03 5.330e-03 2.001e-03 / + CHEB/ -9.878e-03 1.809e-02 1.057e-02 4.502e-03 / + CHEB/ -3.747e-01 5.047e-03 3.231e-03 1.631e-03 / + CHEB/ -1.295e-01 -6.296e-03 -3.500e-03 -1.327e-03 / + +! Reaction index: Chemkin #1308; RMG #5302 +! PDep reaction: PDepNetwork #66 +! Flux pairs: OCHO(11), [O]C#CO(1004); CO(8), O-2(1040); +CO(8)+OCHO(11)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.403e+01 -3.963e-04 -2.401e-04 -1.102e-04 / + CHEB/ 5.364e+01 -1.400e-04 -7.942e-05 -3.147e-05 / + CHEB/ 1.352e-01 -1.468e-04 -8.896e-05 -4.081e-05 / + CHEB/ 9.452e-02 1.546e-05 6.291e-06 1.144e-07 / + CHEB/ -9.287e-02 1.068e-04 6.081e-05 2.436e-05 / + CHEB/ -3.230e-02 1.119e-04 6.540e-05 2.780e-05 / + +! Reaction index: Chemkin #1309; RMG #5306 +! PDep reaction: PDepNetwork #72 +! Flux pairs: C2HO3(991), O-2(1040); C2HO3(991), [O]C#CO(1004); +C2HO3(991)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.915e+01 1.521e+00 -6.366e-05 -3.034e-05 / + CHEB/ 5.746e+01 5.798e-05 3.582e-05 1.708e-05 / + CHEB/ -3.824e-01 -3.055e-05 -1.886e-05 -8.979e-06 / + CHEB/ -2.054e-01 -1.394e-05 -8.612e-06 -4.105e-06 / + CHEB/ -2.126e-01 -8.008e-06 -4.950e-06 -2.364e-06 / + CHEB/ -4.325e-02 1.710e-06 1.051e-06 4.958e-07 / + +! Reaction index: Chemkin #1310; RMG #5310 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), O-2(1040); C2HO3(990), [O]C#CO(1004); +C2HO3(990)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.672e+01 1.458e+00 -3.724e-02 -1.617e-02 / + CHEB/ 5.793e+01 2.917e-02 1.700e-02 7.191e-03 / + CHEB/ 3.992e-01 1.824e-02 1.046e-02 4.271e-03 / + CHEB/ -4.149e-01 6.724e-03 3.946e-03 1.696e-03 / + CHEB/ -3.427e-01 -2.088e-03 -1.051e-03 -2.944e-04 / + CHEB/ -3.229e-02 -4.018e-03 -2.200e-03 -8.034e-04 / + +! Reaction index: Chemkin #1311; RMG #5314 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), [O]C#CO(1004); OH(3), O-2(1040); +OH(3)+C2O2(1002)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.958e+01 -9.791e-05 -6.046e-05 -2.881e-05 / + CHEB/ 2.627e+01 6.422e-05 3.967e-05 1.892e-05 / + CHEB/ -1.217e-01 -2.590e-05 -1.599e-05 -7.612e-06 / + CHEB/ 1.047e-02 -1.066e-05 -6.581e-06 -3.137e-06 / + CHEB/ -8.861e-02 -5.895e-06 -3.645e-06 -1.741e-06 / + CHEB/ 4.701e-03 2.807e-06 1.729e-06 8.195e-07 / + +! Reaction index: Chemkin #1312; RMG #5318 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), O-2(1040); C2HO3(1028), [O]C#CO(1004); +C2HO3(1028)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.563e+01 1.521e+00 -9.145e-05 -4.224e-05 / + CHEB/ 4.958e+01 -1.117e-05 -4.808e-06 -4.022e-07 / + CHEB/ 2.508e-01 -4.470e-05 -2.751e-05 -1.302e-05 / + CHEB/ -2.595e-01 2.101e-05 1.137e-05 3.992e-06 / + CHEB/ -2.881e-01 4.646e-05 2.671e-05 1.095e-05 / + CHEB/ -6.767e-02 4.238e-05 2.503e-05 1.089e-05 / + +! Reaction index: Chemkin #1313; RMG #5327 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), O(16); C2HO3(993), [O]C#CO(1004); +C2HO3(993)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.877e+01 1.489e+00 -1.834e-02 -7.826e-03 / + CHEB/ 3.552e+01 2.922e-02 1.688e-02 7.100e-03 / + CHEB/ -3.026e-01 2.929e-03 1.746e-03 7.967e-04 / + CHEB/ -1.304e-01 -5.008e-04 -3.099e-04 -1.425e-04 / + CHEB/ -5.416e-02 -7.856e-04 -3.845e-04 -1.177e-04 / + CHEB/ -2.079e-02 -2.639e-04 -1.595e-04 -7.496e-05 / + +! Reaction index: Chemkin #1314; RMG #5334 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), O-2(1040); C2HO3(993), [O]C#CO(1004); +C2HO3(993)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.982e+01 1.520e+00 -1.668e-04 -7.843e-05 / + CHEB/ 4.984e+01 6.705e-05 4.326e-05 2.230e-05 / + CHEB/ -2.388e-01 -5.494e-05 -3.329e-05 -1.528e-05 / + CHEB/ -4.417e-02 -9.846e-06 -6.736e-06 -3.791e-06 / + CHEB/ -1.443e-01 2.142e-05 1.185e-05 4.411e-06 / + CHEB/ -5.356e-02 3.595e-05 2.095e-05 8.855e-06 / + +! Reaction index: Chemkin #1315; RMG #5345 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), O-2(1040); C2HO3(1015), [O]C#CO(1004); +C2HO3(1015)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.374e+01 1.521e+00 -5.933e-05 -2.828e-05 / + CHEB/ 4.838e+01 6.541e-05 4.039e-05 1.925e-05 / + CHEB/ -4.384e-02 -2.412e-05 -1.489e-05 -7.098e-06 / + CHEB/ 3.215e-02 -1.049e-05 -6.480e-06 -3.089e-06 / + CHEB/ 2.250e-02 -6.342e-06 -3.917e-06 -1.867e-06 / + CHEB/ -1.556e-02 2.100e-06 1.296e-06 6.179e-07 / + +! Reaction index: Chemkin #1316; RMG #5366 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), O(16); C2HO3(1015), [O]C#CO(1004); +C2HO3(1015)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.720e+01 1.519e+00 -1.273e-03 -6.025e-04 / + CHEB/ 3.345e+01 1.634e-03 1.006e-03 4.768e-04 / + CHEB/ -2.154e-01 -6.584e-04 -4.066e-04 -1.933e-04 / + CHEB/ -2.372e-02 1.051e-04 6.260e-05 2.794e-05 / + CHEB/ -2.850e-02 -4.204e-04 -2.579e-04 -1.215e-04 / + CHEB/ -2.045e-02 2.513e-04 1.547e-04 7.320e-05 / + +! Reaction index: Chemkin #1317; RMG #5429 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), O(16); C2HO3(1027), [O]C#CO(1004); +C2HO3(1027)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.416e+01 1.295e+00 -1.205e-01 -4.236e-02 / + CHEB/ 3.889e+01 1.188e-01 6.022e-02 1.849e-02 / + CHEB/ -3.415e-01 5.134e-02 2.585e-02 7.737e-03 / + CHEB/ -1.168e-01 1.617e-02 8.644e-03 3.007e-03 / + CHEB/ -2.068e-02 -7.023e-03 -2.316e-03 3.156e-04 / + CHEB/ -2.851e-02 -8.004e-03 -3.371e-03 -4.471e-04 / + +! Reaction index: Chemkin #1318; RMG #5432 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), O-2(1040); C2HO3(1027), [O]C#CO(1004); +C2HO3(1027)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.432e+01 1.489e+00 -1.850e-02 -7.909e-03 / + CHEB/ 5.570e+01 -7.619e-03 -4.816e-03 -2.383e-03 / + CHEB/ 5.086e-01 1.470e-02 8.291e-03 3.256e-03 / + CHEB/ -1.777e-01 1.689e-02 9.950e-03 4.308e-03 / + CHEB/ -2.740e-01 8.835e-04 7.660e-04 5.536e-04 / + CHEB/ -9.402e-02 -8.394e-03 -4.755e-03 -1.888e-03 / + +! Reaction index: Chemkin #1319; RMG #5685 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), CH2O(12); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HCO(13)+[O]C#CO(1004)<=>CH2O(12)+C2O2(1002) 1.810000e+14 0.000 4.590 + +! Reaction index: Chemkin #1320; RMG #5758 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +CH3(7)+[O]C#CO(1004)<=>CH4(20)+C2O2(1002) 8.490000e+13 0.000 2.402 + +! Reaction index: Chemkin #1321; RMG #5851 +! Template reaction: Disproportionation +! Flux pairs: O2(2), HO2(4); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 +! Multiplied by reaction path degeneracy 2.0 +O2(2)+[O]C#CO(1004)<=>HO2(4)+C2O2(1002) 1.144180e+13 0.000 16.179 + +! Reaction index: Chemkin #1322; RMG #5872 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +HO2(4)+[O]C#CO(1004)<=>H2O2(18)+C2O2(1002) 1.210000e+13 0.000 4.576 + +! Reaction index: Chemkin #1323; RMG #6170 +! PDep reaction: PDepNetwork #217 +! Flux pairs: C2O3(1069), [O]C#CO(1004); H(5), O-2(1040); +H(5)+C2O3(1069)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.689e+01 -9.086e-05 -5.611e-05 -2.674e-05 / + CHEB/ 3.008e+01 7.084e-05 4.376e-05 2.086e-05 / + CHEB/ -1.703e-01 -2.000e-05 -1.235e-05 -5.882e-06 / + CHEB/ -3.679e-02 -7.463e-06 -4.612e-06 -2.201e-06 / + CHEB/ -1.044e-02 -4.284e-06 -2.651e-06 -1.268e-06 / + CHEB/ -1.197e-02 3.179e-06 1.958e-06 9.283e-07 / + +! Reaction index: Chemkin #1324; RMG #6173 +! PDep reaction: PDepNetwork #217 +! Flux pairs: C2O3(1069), [O]C#CO(1004); H(5), O(16); +H(5)+C2O3(1069)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.199e+01 -7.314e-03 -3.704e-03 -1.171e-03 / + CHEB/ 1.547e+01 5.865e-03 2.889e-03 8.517e-04 / + CHEB/ -2.293e-01 5.138e-04 1.876e-04 -7.281e-06 / + CHEB/ -5.683e-02 7.704e-04 4.026e-04 1.364e-04 / + CHEB/ -5.106e-02 -9.048e-04 -4.056e-04 -9.029e-05 / + CHEB/ -1.593e-02 3.955e-04 2.384e-04 1.070e-04 / + +! Reaction index: Chemkin #1325; RMG #6486 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), O(16); C2HO3(1055), [O]C#CO(1004); +C2HO3(1055)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.956e+01 1.484e+00 -2.147e-02 -9.302e-03 / + CHEB/ 2.760e+01 3.326e-02 1.933e-02 8.231e-03 / + CHEB/ -2.141e-01 1.276e-03 7.483e-04 3.397e-04 / + CHEB/ 6.697e-03 -2.037e-03 -1.240e-03 -5.713e-04 / + CHEB/ 2.790e-02 -1.381e-03 -7.491e-04 -2.887e-04 / + CHEB/ -2.931e-03 -4.502e-04 -2.776e-04 -1.330e-04 / + +! Reaction index: Chemkin #1326; RMG #6489 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), O-2(1040); C2HO3(1055), [O]C#CO(1004); +C2HO3(1055)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.056e+01 1.519e+00 -7.406e-04 -3.515e-04 / + CHEB/ 4.213e+01 -2.360e-04 -1.435e-04 -6.632e-05 / + CHEB/ -1.742e-01 -5.401e-04 -3.324e-04 -1.573e-04 / + CHEB/ 5.055e-02 -4.627e-04 -2.858e-04 -1.363e-04 / + CHEB/ -7.531e-02 -2.877e-04 -1.786e-04 -8.590e-05 / + CHEB/ -3.626e-02 -1.457e-04 -9.086e-05 -4.409e-05 / + +! Reaction index: Chemkin #1327; RMG #6588 +! PDep reaction: PDepNetwork #253 +! Flux pairs: [O]C#CO(1004), O(16); [O]C#CO(1004), HCCO(53); +[O]C#CO(1004)(+M)<=>O(16)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.783e+01 1.521e+00 -1.465e-06 -6.980e-07 / + CHEB/ 2.997e+01 2.320e-06 1.433e-06 6.825e-07 / + CHEB/ -2.742e-01 -8.333e-07 -5.145e-07 -2.451e-07 / + CHEB/ -1.680e-01 5.037e-08 3.106e-08 1.476e-08 / + CHEB/ -7.039e-02 2.639e-08 1.628e-08 7.739e-09 / + CHEB/ 2.013e-02 -1.478e-07 -9.124e-08 -4.344e-08 / + +! Reaction index: Chemkin #1328; RMG #6589 +! PDep reaction: PDepNetwork #253 +! Flux pairs: [O]C#CO(1004), O-2(1040); [O]C#CO(1004), HCCO(53); +[O]C#CO(1004)(+M)<=>O-2(1040)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.988e+01 1.520e+00 -4.232e-04 -2.014e-04 / + CHEB/ 4.449e+01 6.191e-04 3.819e-04 1.817e-04 / + CHEB/ -1.881e-01 -1.793e-04 -1.105e-04 -5.250e-05 / + CHEB/ -1.215e-01 3.196e-05 1.970e-05 9.358e-06 / + CHEB/ -4.944e-02 9.080e-06 5.591e-06 2.650e-06 / + CHEB/ 2.436e-02 -9.822e-05 -6.060e-05 -2.883e-05 / + +! Reaction index: Chemkin #1329; RMG #6593 +! Template reaction: H_Abstraction +! Flux pairs: OC1(O)OO1(1081), [O]C1(O)OO1(997); O(16), OH(3); +! From training reaction 194 used for O/H/NonDeC;O_atom_triplet +! Exact match found for rate rule [O/H/NonDeC;O_atom_triplet] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +O(16)+OC1(O)OO1(1081)<=>OH(3)+[O]C1(O)OO1(997) 7.400000e+12 0.000 5.305 + +! Reaction index: Chemkin #1330; RMG #4820 +! Template reaction: intra_OH_migration +! Flux pairs: OO[C]1OO1(1048), [O]C1(O)OO1(997); +! Estimated using template [RnOOH;C_rad_out_NonDe] for rate rule [ROOH;C_rad_out_NDMustO] +! Euclidian distance = 1.4142135623730951 +! family: intra_OH_migration +OO[C]1OO1(1048)<=>[O]C1(O)OO1(997) 2.042569e+10 0.000 20.600 + +! Reaction index: Chemkin #1331; RMG #4821 +! Template reaction: Intra_R_Add_Endocyclic +! Flux pairs: CHO4(989), OO[C]1OO1(1048); +! Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H +CHO4(989)<=>OO[C]1OO1(1048) 6.951870e+18 -1.628 91.287 + +! Reaction index: Chemkin #1332; RMG #6093 +! PDep reaction: PDepNetwork #83 +! Flux pairs: CO(8), C2H3O3(1032); O[CH]O(970), C2H3O3(1032); +CO(8)+O[CH]O(970)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.899e+00 3.584e-01 -5.308e-02 -1.138e-03 / + CHEB/ 3.969e+00 5.738e-01 -6.732e-02 -7.450e-03 / + CHEB/ -1.706e-01 2.895e-01 -4.516e-03 -1.052e-02 / + CHEB/ -8.065e-02 7.406e-02 2.142e-02 -4.630e-03 / + CHEB/ -5.920e-03 -1.089e-02 1.391e-02 1.566e-03 / + CHEB/ 1.434e-02 -1.743e-02 1.589e-03 2.450e-03 / + +! Reaction index: Chemkin #1333; RMG #5726 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), C2H3O2(1088); +CH3CO2(73)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.841e+00 5.253e-01 -3.177e-02 -2.235e-03 / + CHEB/ 1.372e+01 8.794e-01 -3.883e-02 -5.012e-03 / + CHEB/ 3.511e-01 4.987e-01 5.888e-03 -3.936e-03 / + CHEB/ -1.120e-01 1.602e-01 2.472e-02 4.242e-04 / + CHEB/ -6.109e-02 -2.988e-03 1.255e-02 3.713e-03 / + CHEB/ 1.847e-03 -2.794e-02 -3.858e-03 2.532e-03 / + +! Reaction index: Chemkin #1334; RMG #6081 +! PDep reaction: PDepNetwork #180 +! Flux pairs: OH(3), C2H3O2(1088); CH2CO(30), C2H3O2(1088); +OH(3)+CH2CO(30)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.097e+01 3.059e-01 -3.783e-02 9.437e-04 / + CHEB/ 1.031e+00 5.141e-01 -5.037e-02 -2.045e-03 / + CHEB/ -3.515e-01 3.043e-01 -5.513e-03 -6.079e-03 / + CHEB/ -2.267e-01 1.184e-01 1.844e-02 -3.957e-03 / + CHEB/ -1.059e-01 1.852e-02 1.638e-02 5.271e-04 / + CHEB/ -3.624e-02 -1.193e-02 5.554e-03 2.345e-03 / + +! Reaction index: Chemkin #1335; RMG #7691 +! PDep reaction: PDepNetwork #324 +! Flux pairs: C2H3O2(1088), CH2CO(30); H(5), H2O(17); +H(5)+C2H3O2(1088)(+M)<=>H2O(17)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.285e+01 -9.083e-01 -9.416e-02 1.066e-02 / + CHEB/ 1.091e+00 7.375e-01 -1.356e-02 -2.175e-02 / + CHEB/ 1.017e-01 2.243e-01 6.848e-02 -1.168e-02 / + CHEB/ -5.831e-02 -8.829e-03 4.113e-02 8.788e-03 / + CHEB/ -4.268e-02 -4.895e-02 1.140e-03 1.015e-02 / + CHEB/ -1.635e-02 -2.795e-02 -1.222e-02 2.234e-03 / + +! Reaction index: Chemkin #1336; RMG #6604 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), HOCO(10); CH3CO2(73), CH2(21); +CH3CO2(73)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.447e+01 9.573e-01 -2.209e-01 -3.640e-02 / + CHEB/ 2.947e+01 6.087e-01 2.155e-01 2.045e-02 / + CHEB/ -2.921e-01 -2.893e-03 2.260e-02 1.748e-02 / + CHEB/ -8.268e-02 -3.797e-02 -1.429e-02 -7.866e-04 / + CHEB/ 5.623e-03 -1.803e-02 -9.060e-03 -2.419e-03 / + CHEB/ 2.180e-02 -3.466e-03 -2.800e-03 -1.385e-03 / + +! Reaction index: Chemkin #1337; RMG #6611 +! PDep reaction: PDepNetwork #256 +! Flux pairs: C2H3O2(1088), HOCO(10); C2H3O2(1088), CH2(21); +C2H3O2(1088)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.788e+01 1.351e+00 -8.207e-02 -2.293e-02 / + CHEB/ 3.229e+01 2.131e-01 9.702e-02 2.247e-02 / + CHEB/ -5.145e-01 -3.610e-02 -8.773e-03 4.113e-03 / + CHEB/ -1.763e-01 -1.139e-02 -8.337e-03 -4.031e-03 / + CHEB/ -4.781e-02 1.000e-03 -1.429e-04 -7.906e-04 / + CHEB/ -5.023e-03 1.089e-03 7.690e-04 3.777e-04 / + +! Reaction index: Chemkin #1338; RMG #6632 +! PDep reaction: PDepNetwork #257 +! Flux pairs: O1[C]2OC12(1049), CO(8); O1[C]2OC12(1049), HCO(13); +O1[C]2OC12(1049)(+M)<=>CO(8)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.969e+00 7.791e-01 -1.413e-01 5.496e-03 / + CHEB/ 3.110e+00 5.752e-01 5.473e-02 -2.134e-02 / + CHEB/ -1.970e-01 9.144e-02 4.261e-02 -2.292e-03 / + CHEB/ -1.643e-02 -2.177e-02 5.610e-03 4.892e-03 / + CHEB/ 1.001e-02 -8.766e-03 -5.251e-03 9.257e-04 / + CHEB/ -1.409e-02 1.015e-02 -2.416e-03 -2.114e-03 / + +! Reaction index: Chemkin #1339; RMG #6629 +! PDep reaction: PDepNetwork #257 +! Flux pairs: O1[C]2OC12(1049), OCHCO(63); +O1[C]2OC12(1049)(+M)<=>OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.800e+00 2.289e+00 -1.429e-01 5.837e-03 / + CHEB/ 2.856e+00 5.668e-01 5.197e-02 -2.139e-02 / + CHEB/ -3.872e-02 9.184e-02 4.235e-02 -2.665e-03 / + CHEB/ 4.559e-02 -1.914e-02 6.262e-03 4.743e-03 / + CHEB/ 1.929e-02 -6.918e-03 -4.895e-03 8.947e-04 / + CHEB/ -2.880e-03 1.097e-02 -2.367e-03 -2.150e-03 / + +! Reaction index: Chemkin #1340; RMG #6627 +! PDep reaction: PDepNetwork #257 +! Flux pairs: O1[C]2OC12(1049), C2HO2(1001); +O1[C]2OC12(1049)(+M)<=>C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.209e+00 2.251e+00 -1.476e-01 7.682e-03 / + CHEB/ 2.462e+00 5.348e-01 4.273e-02 -2.086e-02 / + CHEB/ -3.023e-01 9.277e-02 4.221e-02 -3.547e-03 / + CHEB/ -6.603e-02 -9.442e-03 9.218e-03 4.424e-03 / + CHEB/ 2.176e-02 4.929e-04 -3.158e-03 9.104e-04 / + CHEB/ 5.448e-02 1.486e-02 -1.904e-03 -2.211e-03 / + +! Reaction index: Chemkin #1341; RMG #4976 +! PDep reaction: PDepNetwork #137 +! Flux pairs: H(5), O1[C]2OC12(1049); C2O2(1002), O1[C]2OC12(1049); +H(5)+C2O2(1002)(+M)<=>O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.666e+00 1.495e+00 -1.551e-02 -7.105e-03 / + CHEB/ 1.266e+00 1.940e-02 1.160e-02 5.194e-03 / + CHEB/ -6.088e-02 -4.619e-03 -2.743e-03 -1.211e-03 / + CHEB/ -4.798e-02 -3.456e-03 -2.084e-03 -9.482e-04 / + CHEB/ -3.828e-02 -1.536e-04 -9.736e-05 -4.766e-05 / + CHEB/ -2.758e-02 1.974e-03 1.170e-03 5.120e-04 / + +! Reaction index: Chemkin #1342; RMG #6630 +! PDep reaction: PDepNetwork #257 +! Flux pairs: O1[C]2OC12(1049), [O]C#CO(1004); +O1[C]2OC12(1049)(+M)<=>[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.530e+00 1.557e+00 -1.731e-01 -2.332e-02 / + CHEB/ 5.183e+00 8.092e-01 3.423e-02 3.516e-03 / + CHEB/ -2.406e-03 2.256e-01 -1.951e-02 -5.331e-03 / + CHEB/ -9.891e-02 4.018e-02 -5.040e-03 -9.259e-03 / + CHEB/ -7.221e-02 -5.422e-03 8.038e-03 -2.004e-03 / + CHEB/ -3.169e-02 -5.035e-03 7.255e-03 1.350e-03 / + +! Reaction index: Chemkin #1343; RMG #6625 +! PDep reaction: PDepNetwork #256 +! Flux pairs: C2H3O2(1088), O(16); C2H3O2(1088), CH3CO(47); +C2H3O2(1088)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.331e+01 1.253e+00 -1.391e-01 -4.606e-02 / + CHEB/ 3.495e+01 3.036e-01 1.507e-01 4.399e-02 / + CHEB/ -4.624e-01 -2.746e-02 -5.738e-03 4.924e-03 / + CHEB/ -1.405e-01 -1.377e-02 -8.760e-03 -3.853e-03 / + CHEB/ -3.054e-02 -3.217e-03 -2.241e-03 -1.310e-03 / + CHEB/ 2.857e-03 -9.603e-04 -5.865e-04 -2.870e-04 / + +! Reaction index: Chemkin #1344; RMG #213 +! Library reaction: NOx2018 +! Flux pairs: CH2OOH(37), OH(3); CH2OOH(37), CH2O(12); +! Reaction library: 'NOx2018' +CH2OOH(37)<=>OH(3)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.040000 9.600e+10 -0.925 1.567 / + PLOG/ 1.000000 2.400e+12 -0.925 1.567 / + PLOG/ 10.000000 2.500e+13 -0.927 1.579 / + PLOG/ 100.000000 7.000e+14 -1.064 1.744 / + +! Reaction index: Chemkin #1345; RMG #4285 +! Template reaction: intra_OH_migration +! Flux pairs: CH2OOH(37), HOCH2O(38); +! Estimated using template [RnOOH;C_rad_out_2H] for rate rule [ROOH;C_rad_out_2H] +! Euclidian distance = 1.0 +! family: intra_OH_migration +CH2OOH(37)<=>HOCH2O(38) 5.536582e+10 0.000 23.667 + +! Reaction index: Chemkin #1346; RMG #4444 +! Template reaction: Birad_R_Recombination +! Flux pairs: HO2(4), CH2OOH(37); CH2(21), CH2OOH(37); +! Estimated using an average for rate rule [O_rad/NonDe;Birad] +! Euclidian distance = 0 +! family: Birad_R_Recombination +! Ea raised from -2.0 to 0 kJ/mol. +HO2(4)+CH2(21)<=>CH2OOH(37) 1.231447e+10 0.968 0.000 + +! Reaction index: Chemkin #1347; RMG #6631 +! PDep reaction: PDepNetwork #257 +! Flux pairs: O1[C]2OC12(1049), O-2(1040); O1[C]2OC12(1049), HCCO(53); +O1[C]2OC12(1049)(+M)<=>O-2(1040)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.685e+01 1.518e+00 -1.939e-03 -9.215e-04 / + CHEB/ 3.624e+01 1.859e-03 1.145e-03 5.429e-04 / + CHEB/ 8.964e-02 -6.071e-04 -3.738e-04 -1.771e-04 / + CHEB/ 4.757e-02 -4.321e-04 -2.662e-04 -1.263e-04 / + CHEB/ 4.091e-03 -5.794e-05 -3.574e-05 -1.699e-05 / + CHEB/ -3.068e-03 1.569e-04 9.641e-05 4.550e-05 / + +! Reaction index: Chemkin #1348; RMG #6634 +! PDep reaction: PDepNetwork #257 +! Flux pairs: O1[C]2OC12(1049), O(16); O1[C]2OC12(1049), HCCO(53); +O1[C]2OC12(1049)(+M)<=>O(16)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.244e+01 1.513e+00 -4.965e-03 -2.344e-03 / + CHEB/ 2.197e+01 5.113e-03 3.133e-03 1.470e-03 / + CHEB/ 3.882e-02 -1.429e-03 -8.745e-04 -4.092e-04 / + CHEB/ 2.649e-02 -1.134e-03 -6.954e-04 -3.269e-04 / + CHEB/ -3.874e-03 -1.123e-04 -6.915e-05 -3.277e-05 / + CHEB/ -1.797e-02 5.421e-04 3.305e-04 1.536e-04 / + +! Reaction index: Chemkin #1349; RMG #6640 +! Template reaction: R_Addition_MultipleBond +! Flux pairs: CO3(1034), OO[C]1OO1(1048); OH(3), OO[C]1OO1(1048); +! Estimated using template [Od_CO-NdNd;YJ] for rate rule [Od_CO-NdNd;OJ_pri] +! Euclidian distance = 2.0 +! family: R_Addition_MultipleBond +! Ea raised from 207.1 to 212.2 kJ/mol to match endothermicity of reaction. +OH(3)+CO3(1034)<=>OO[C]1OO1(1048) 3.230000e+04 2.980 50.722 + +! Reaction index: Chemkin #1350; RMG #6649 +! PDep reaction: PDepNetwork #175 +! Flux pairs: [O]C(O)O(972), O[CH]O(970); OH(3), HO2(4); +OH(3)+[O]C(O)O(972)(+M)<=>HO2(4)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.495e-01 -7.209e-02 -4.073e-02 -1.619e-02 / + CHEB/ 1.083e+01 8.264e-02 4.552e-02 1.705e-02 / + CHEB/ 1.073e-01 -1.177e-02 -5.236e-03 -8.594e-04 / + CHEB/ 1.689e-02 -2.007e-03 -1.544e-03 -9.393e-04 / + CHEB/ -6.520e-04 -1.380e-03 -8.228e-04 -3.794e-04 / + CHEB/ 1.369e-03 -7.140e-04 -4.362e-04 -2.022e-04 / + +! Reaction index: Chemkin #1351; RMG #6650 +! PDep reaction: PDepNetwork #175 +! Flux pairs: [O]C(O)O(972), [O]OC(O)O(973); OH(3), H(5); +OH(3)+[O]C(O)O(972)(+M)<=>H(5)+[O]OC(O)O(973)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.147e+00 -2.718e-02 -1.624e-02 -7.244e-03 / + CHEB/ 1.481e+01 3.196e-02 1.891e-02 8.270e-03 / + CHEB/ 3.198e-01 -6.063e-03 -3.397e-03 -1.310e-03 / + CHEB/ 8.887e-02 -3.367e-04 -2.850e-04 -2.020e-04 / + CHEB/ 2.512e-02 -5.167e-04 -3.072e-04 -1.368e-04 / + CHEB/ 1.019e-02 -2.778e-04 -1.719e-04 -8.202e-05 / + +! Reaction index: Chemkin #1352; RMG #6653 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[C]1OO1(1008)+CHO4(989)<=>CO3(1034)+CH2O4(1005) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1353; RMG #6654 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); [O]C1OO1(1041), CO3(1034); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C1OO1(1041)+CHO4(989)<=>CO3(1034)+CH2O4(1005) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1354; RMG #6655 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O[C]1OO1(1008)+CHO4(985)<=>CO3(1034)+CH2O4(1005) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1355; RMG #6656 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); [O]C1OO1(1041), CO3(1034); +! Estimated from node Root_Ext-1R!H-R +[O]C1OO1(1041)+CHO4(985)<=>CO3(1034)+CH2O4(1005) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1356; RMG #6657 +! Template reaction: H_Abstraction +! Flux pairs: HO2CHO(68), O2CHO(67); CHO3(986), CH2O3(1000); +! Estimated using an average for rate rule [O/H/NonDeO;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+HO2CHO(68)<=>O2CHO(67)+CH2O3(1000) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #1357; RMG #6658 +! Template reaction: H_Abstraction +! Flux pairs: HO2CHO(68), CHO3(1009); CHO3(986), CH2O3(1000); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+HO2CHO(68)<=>CHO3(1009)+CH2O3(1000) 1.968453e+09 1.062 12.422 + +! Reaction index: Chemkin #1358; RMG #6301 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]OC(O)O(973); OCHO(11), FA(1); +! Estimated using an average for rate rule [O/H/NonDeO;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+OOC(O)O(1086)<=>FA(1)+[O]OC(O)O(973) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #1359; RMG #6302 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]OC(O)O(973); HOCO(10), FA(1); +! Estimated using an average for rate rule [O/H/NonDeO;CO_rad/NonDe] +! Euclidian distance = 0 +! family: H_Abstraction +HOCO(10)+OOC(O)O(1086)<=>FA(1)+[O]OC(O)O(973) 1.582731e-04 4.663 41.320 + +! Reaction index: Chemkin #1360; RMG #6303 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]OC(O)O(973); H(5), H2(6); +! From training reaction 203 used for O/H/NonDeO;H_rad +! Exact match found for rate rule [O/H/NonDeO;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+OOC(O)O(1086)<=>H2(6)+[O]OC(O)O(973) 5.400000e+10 0.000 1.860 + +! Reaction index: Chemkin #1361; RMG #6304 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]OC(O)O(973); OH(3), H2O(17); +! From training reaction 206 used for O/H/NonDeO;O_pri_rad +! Exact match found for rate rule [O/H/NonDeO;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +! Ea raised from -1.8 to -1.8 kJ/mol. +OH(3)+OOC(O)O(1086)<=>H2O(17)+[O]OC(O)O(973) 1.100000e+12 0.000 -0.437 + +! Reaction index: Chemkin #1362; RMG #6305 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]OC(O)O(973); HO2(4), H2O2(18); +! From training reaction 208 used for O/H/NonDeO;O_rad/NonDeO +! Exact match found for rate rule [O/H/NonDeO;O_rad/NonDeO] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(4)+OOC(O)O(1086)<=>H2O2(18)+[O]OC(O)O(973) 4.100000e+04 2.500 10.206 + +! Reaction index: Chemkin #1363; RMG #6306 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]OC(O)O(973); CHO4(989), CH2O4(1005); +! Estimated using an average for rate rule [O/H/NonDeO;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO4(989)+OOC(O)O(1086)<=>CH2O4(1005)+[O]OC(O)O(973) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #1364; RMG #6307 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]OC(O)O(973); CHO4(985), CH2O4(1005); +! Estimated using an average for rate rule [O/H/NonDeO;OOC] +! Euclidian distance = 0 +! family: H_Abstraction +CHO4(985)+OOC(O)O(1086)<=>CH2O4(1005)+[O]OC(O)O(973) 9.200000e-02 3.960 6.630 + +! Reaction index: Chemkin #1365; RMG #6644 +! Template reaction: R_Recombination +! Flux pairs: O[CH]OO(1038), OOC(O)O(1086); OH(3), OOC(O)O(1086); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R +OH(3)+O[CH]OO(1038)<=>OOC(O)O(1086) 7.700000e+13 0.000 0.000 + +! Reaction index: Chemkin #1366; RMG #6647 +! Template reaction: R_Recombination +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); H(5), OOC(O)O(1086); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O +H(5)+OO[C](O)O(1010)<=>OOC(O)O(1086) 7.882130e+12 0.315 0.000 + +! Reaction index: Chemkin #1367; RMG #6648 +! PDep reaction: PDepNetwork #175 +! Flux pairs: OH(3), OOC(O)O(1086); [O]C(O)O(972), OOC(O)O(1086); +OH(3)+[O]C(O)O(972)(+M)<=>OOC(O)O(1086)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.276e+01 4.206e-01 -4.756e-02 1.176e-03 / + CHEB/ -8.890e-01 6.289e-01 -4.064e-02 -6.350e-03 / + CHEB/ -5.149e-01 2.785e-01 1.723e-02 -6.896e-03 / + CHEB/ -2.169e-01 6.203e-02 2.221e-02 1.421e-04 / + CHEB/ -5.729e-02 -9.915e-03 6.969e-03 2.601e-03 / + CHEB/ 4.967e-03 -1.674e-02 -1.472e-03 1.008e-03 / + +! Reaction index: Chemkin #1368; RMG #6652 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), OO[C](O)O(1010); OH(3), H2O(17); +! Estimated using average of templates [C/H/NonDe;O_rad] + [C/H/NDMustO;Y_rad] for rate rule [C/H/O3;O_pri_rad] +! Euclidian distance = 2.23606797749979 +! family: H_Abstraction +OH(3)+OOC(O)O(1086)<=>H2O(17)+OO[C](O)O(1010) 9.620893e+06 1.468 8.102 + +! Reaction index: Chemkin #1369; RMG #6660 +! Template reaction: Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+[O]OC(O)O(973)<=>CO2(9)+OOC(O)O(1086) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1370; RMG #6661 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+OO[C](O)O(1010)<=>CO2(9)+OOC(O)O(1086) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1371; RMG #6663 +! Template reaction: Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+[O]OC(O)O(973)<=>CO2(9)+OOC(O)O(1086) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1372; RMG #6664 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+OO[C](O)O(1010)<=>CO2(9)+OOC(O)O(1086) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1373; RMG #6666 +! PDep reaction: PDepNetwork #259 +! Flux pairs: OOC(O)O(1086), HO2(4); OOC(O)O(1086), O[CH]O(970); +OOC(O)O(1086)(+M)<=>HO2(4)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.775e+01 1.444e+00 -4.307e-02 -1.707e-02 / + CHEB/ 2.370e+01 8.349e-02 4.576e-02 1.694e-02 / + CHEB/ -3.370e-01 -1.061e-02 -4.518e-03 -5.266e-04 / + CHEB/ -9.054e-02 -1.733e-03 -1.362e-03 -8.398e-04 / + CHEB/ 9.760e-03 -1.600e-03 -9.451e-04 -4.255e-04 / + CHEB/ 3.423e-02 -9.896e-04 -5.985e-04 -2.725e-04 / + +! Reaction index: Chemkin #1374; RMG #6667 +! PDep reaction: PDepNetwork #259 +! Flux pairs: OOC(O)O(1086), H(5); OOC(O)O(1086), [O]OC(O)O(973); +OOC(O)O(1086)(+M)<=>H(5)+[O]OC(O)O(973)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.382e+01 1.492e+00 -1.686e-02 -7.515e-03 / + CHEB/ 2.774e+01 3.238e-02 1.914e-02 8.348e-03 / + CHEB/ -8.606e-02 -5.801e-03 -3.231e-03 -1.227e-03 / + CHEB/ 4.596e-03 -3.002e-04 -2.617e-04 -1.900e-04 / + CHEB/ 4.781e-02 -5.803e-04 -3.454e-04 -1.541e-04 / + CHEB/ 4.889e-02 -3.404e-04 -2.101e-04 -9.980e-05 / + +! Reaction index: Chemkin #1375; RMG #6670 +! PDep reaction: PDepNetwork #49 +! Flux pairs: H(5), [O]OC(O)O(973); CH2O4(1005), [O]OC(O)O(973); +H(5)+CH2O4(1005)(+M)<=>[O]OC(O)O(973)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.510e+00 4.386e-01 -2.861e-01 -1.971e-02 / + CHEB/ 1.002e+01 8.006e-01 1.139e-01 -2.377e-02 / + CHEB/ -2.817e-01 2.481e-01 1.104e-01 3.172e-03 / + CHEB/ -1.888e-02 -2.047e-02 1.974e-02 1.422e-02 / + CHEB/ 4.498e-02 -4.917e-02 -1.037e-02 5.852e-03 / + CHEB/ 4.520e-02 -5.795e-03 -5.311e-03 -1.255e-03 / + +! Reaction index: Chemkin #1376; RMG #6711 +! PDep reaction: PDepNetwork #167 +! Flux pairs: HO2CHO(68), CH2O4(1005); OH(3), H(5); +OH(3)+HO2CHO(68)(+M)<=>H(5)+CH2O4(1005)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.113e+00 -2.952e-01 -1.374e-01 -3.462e-02 / + CHEB/ 8.695e+00 1.117e-01 4.927e-02 9.544e-03 / + CHEB/ 4.121e-01 1.300e-01 4.925e-02 4.423e-03 / + CHEB/ 1.100e-01 1.745e-02 1.053e-02 4.316e-03 / + CHEB/ 1.970e-02 -1.758e-02 -2.296e-03 3.264e-03 / + CHEB/ 1.317e-02 -8.565e-04 1.985e-04 5.664e-04 / + +! Reaction index: Chemkin #1377; RMG #6673 +! PDep reaction: PDepNetwork #49 +! Flux pairs: CH2O4(1005), FA(1); H(5), HO2(4); +H(5)+CH2O4(1005)(+M)<=>HO2(4)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.392e+00 -9.242e-01 -1.232e-01 8.115e-03 / + CHEB/ 5.013e+00 6.016e-01 -2.164e-02 -2.874e-02 / + CHEB/ 2.750e-01 2.177e-01 4.103e-02 -1.389e-02 / + CHEB/ 3.380e-02 3.209e-02 3.559e-02 2.115e-03 / + CHEB/ -1.216e-02 -2.067e-02 1.560e-02 6.767e-03 / + CHEB/ 9.170e-03 -9.697e-03 6.814e-04 4.473e-03 / + +! Reaction index: Chemkin #1378; RMG #6722 +! PDep reaction: PDepNetwork #254 +! Flux pairs: [O]C(O)O(972), CH2O4(1005); O(16), H(5); +O(16)+[O]C(O)O(972)(+M)<=>H(5)+CH2O4(1005)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.201e+00 -3.877e-01 -1.839e-01 -5.044e-02 / + CHEB/ 1.456e+00 3.271e-01 1.363e-01 2.399e-02 / + CHEB/ 4.649e-01 4.835e-02 3.849e-02 1.980e-02 / + CHEB/ 1.550e-01 -1.456e-02 -7.886e-03 -1.690e-03 / + CHEB/ 4.866e-02 -1.645e-02 -8.513e-03 -2.746e-03 / + CHEB/ 2.039e-02 2.168e-03 1.222e-03 3.309e-04 / + +! Reaction index: Chemkin #1379; RMG #6716 +! PDep reaction: PDepNetwork #174 +! Flux pairs: O[CH]O(970), CH2O4(1005); O2(2), H(5); +O2(2)+O[CH]O(970)(+M)<=>H(5)+CH2O4(1005)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.930e+00 -9.309e-01 -2.684e-01 -2.588e-02 / + CHEB/ 3.679e+00 7.851e-01 1.405e-01 -1.847e-02 / + CHEB/ 3.923e-01 1.566e-01 1.009e-01 1.482e-02 / + CHEB/ 8.682e-02 -5.081e-02 2.009e-03 1.342e-02 / + CHEB/ 2.138e-02 -4.271e-02 -1.666e-02 1.131e-03 / + CHEB/ 1.901e-02 1.871e-03 -3.488e-03 -2.662e-03 / + +! Reaction index: Chemkin #1380; RMG #6679 +! Template reaction: Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+[O]OC(O)O(973)<=>FA(1)+OOC(O)O(1086) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1381; RMG #6680 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+OO[C](O)O(1010)<=>FA(1)+OOC(O)O(1086) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1382; RMG #6682 +! Template reaction: Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+[O]OC(O)O(973)<=>FA(1)+OOC(O)O(1086) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1383; RMG #6683 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+OO[C](O)O(1010)<=>FA(1)+OOC(O)O(1086) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #1384; RMG #6685 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); [O]OC(O)O(973), OOC(O)O(1086); +! From training reaction 244 used for Orad_O_H;OOC +! Exact match found for rate rule [Orad_O_H;OOC] +! Euclidian distance = 0 +! family: H_Abstraction +! Ea raised from -8.2 to -8.2 kJ/mol. +HO2(4)+[O]OC(O)O(973)<=>O2(2)+OOC(O)O(1086) 1.200000e+11 0.000 -1.950 + +! Reaction index: Chemkin #1385; RMG #6686 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); OO[C](O)O(1010), OOC(O)O(1086); +! Estimated using template [X_H;C_rad/NDMustO] for rate rule [Orad_O_H;C_rad/O3] +! Euclidian distance = 2.23606797749979 +! family: H_Abstraction +HO2(4)+OO[C](O)O(1010)<=>O2(2)+OOC(O)O(1086) 3.724044e-07 5.229 -2.298 + +! Reaction index: Chemkin #1386; RMG #6688 +! Template reaction: H_Abstraction +! Flux pairs: H2O2(18), HO2(4); OO[C](O)O(1010), OOC(O)O(1086); +! Estimated using template [H2O2;C_rad/NDMustO] for rate rule [H2O2;C_rad/O3] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H2O2(18)+OO[C](O)O(1010)<=>HO2(4)+OOC(O)O(1086) 3.460000e+01 3.050 1.020 + +! Reaction index: Chemkin #1387; RMG #6690 +! Template reaction: CO_Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_N-4CO->C +HCO(13)+[O]OC(O)O(973)<=>CO(8)+OOC(O)O(1086) 5.120000e+13 0.000 0.000 + +! Reaction index: Chemkin #1388; RMG #6691 +! Template reaction: CO_Disproportionation +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C_Sp-5O-4C +HCO(13)+OO[C](O)O(1010)<=>CO(8)+OOC(O)O(1086) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1389; RMG #6693 +! Template reaction: Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OO[C](O)O(1010)+[O]OC(O)O(973)<=>CH2O4(1005)+OOC(O)O(1086) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1390; RMG #6694 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OO[C](O)O(1010)+OO[C](O)O(1010)<=>CH2O4(1005)+OOC(O)O(1086) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1391; RMG #6699 +! Template reaction: Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+[O]OC(O)O(973)<=>CH2O3(1000)+OOC(O)O(1086) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #1392; RMG #6700 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+OO[C](O)O(1010)<=>CH2O3(1000)+OOC(O)O(1086) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #1393; RMG #6702 +! Template reaction: Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+[O]OC(O)O(973)<=>CH2O3(1000)+OOC(O)O(1086) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1394; RMG #6703 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+OO[C](O)O(1010)<=>CH2O3(1000)+OOC(O)O(1086) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1395; RMG #6704 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), H2O2(18); OC1(O)OO1(1081), [O]C1(O)OO1(997); +! From training reaction 198 used for O/H/NonDeC;O_rad/NonDeO +! Exact match found for rate rule [O/H/NonDeC;O_rad/NonDeO] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HO2(4)+OC1(O)OO1(1081)<=>H2O2(18)+[O]C1(O)OO1(997) 3.000000e-03 4.610 18.581 + +! Reaction index: Chemkin #1396; RMG #6727 +! PDep reaction: PDepNetwork #260 +! Flux pairs: [O]C(O)OO(975), HO2(4); [O]C(O)OO(975), FA(1); +[O]C(O)OO(975)(+M)<=>HO2(4)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.395e+00 4.164e-01 -8.798e-02 5.557e-03 / + CHEB/ 1.493e+00 5.651e-01 -6.805e-02 -1.552e-02 / + CHEB/ -4.746e-02 2.765e-01 5.386e-03 -1.672e-02 / + CHEB/ -6.806e-02 8.730e-02 2.900e-02 -7.174e-03 / + CHEB/ -3.056e-02 5.851e-03 2.335e-02 5.492e-04 / + CHEB/ -7.870e-03 -7.917e-03 9.657e-03 3.289e-03 / + +! Reaction index: Chemkin #1397; RMG #4360 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+[O]C(O)OO(975)<=>FA(1)+CH2O4(1005) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1398; RMG #4362 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+[O]C(O)OO(975)<=>FA(1)+CH2O4(1005) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1399; RMG #4369 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +O(16)+[O]C(O)OO(975)<=>OH(3)+CH2O4(1005) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1400; RMG #4372 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); O2(2), HO2(4); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2(2)+[O]C(O)OO(975)<=>HO2(4)+CH2O4(1005) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1401; RMG #4378 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +H(5)+[O]C(O)OO(975)<=>H2(6)+CH2O4(1005) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1402; RMG #4386 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCO(13)+[O]C(O)OO(975)<=>CH2O(12)+CH2O4(1005) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1403; RMG #4392 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+[O]C(O)OO(975)<=>H2O(17)+CH2O4(1005) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1404; RMG #4395 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+[O]C(O)OO(975)<=>H2O2(18)+CH2O4(1005) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1405; RMG #4397 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); CHO4(989), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(989)+[O]C(O)OO(975)<=>CH2O4(1005)+CH2O4(1005) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1406; RMG #4399 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); CHO4(985), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +CHO4(985)+[O]C(O)OO(975)<=>CH2O4(1005)+CH2O4(1005) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1407; RMG #4519 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+[O]C(O)OO(975)<=>CH2O3(1000)+CH2O4(1005) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1408; RMG #4759 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); O2CHO(67), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +O2CHO(67)+[O]C(O)OO(975)<=>HO2CHO(68)+CH2O4(1005) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1409; RMG #4760 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); CHO3(1009), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CHO3(1009)+[O]C(O)OO(975)<=>HO2CHO(68)+CH2O4(1005) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1410; RMG #5015 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH3(7)+[O]C(O)OO(975)<=>CH2O4(1005)+CH4(20) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1411; RMG #5018 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +CH3O(27)+[O]C(O)OO(975)<=>CH2O4(1005)+CH3OH(25) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1412; RMG #5019 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2OH(26)+[O]C(O)OO(975)<=>CH2O4(1005)+CH3OH(25) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1413; RMG #5534 +! Template reaction: intra_H_migration +! Flux pairs: [O]C(O)OO(975), OO[C](O)O(1010); +! Estimated using template [R2H_S;O_rad_out;Cs_H_out] for rate rule [R2H_S;O_rad_out;Cs_H_out_OOH] +! Euclidian distance = 1.0 +! family: intra_H_migration +[O]C(O)OO(975)<=>OO[C](O)O(1010) 2.150000e+14 -0.270 27.240 + +! Reaction index: Chemkin #1414; RMG #5611 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); [O]C(O)OO(975), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)OO(975)+OCHCO(63)<=>CH2O4(1005)+OCHCHO(52) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1415; RMG #5948 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(990), C2H2O3(976); [O]C(O)OO(975), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)OO(975)+C2HO3(990)<=>CH2O4(1005)+C2H2O3(976) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1416; RMG #5951 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +HOCH2O(38)+[O]C(O)OO(975)<=>CH2O4(1005)+OCO(1022) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1417; RMG #5952 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +O[CH]O(970)+[O]C(O)OO(975)<=>CH2O4(1005)+OCO(1022) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1418; RMG #5963 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); [O]C(O)OO(975), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C(O)OO(975)+C2HO3(993)<=>CH2O4(1005)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1419; RMG #5964 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); [O]C(O)OO(975), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)OO(975)+C2HO3(991)<=>CH2O4(1005)+C2H2O3(977) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1420; RMG #6239 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); [O]C(O)O(972), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+[O]C(O)OO(975)<=>CH2O4(1005)+OC(O)O(1039) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1421; RMG #6240 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), CH2O4(1005); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +O[C](O)O(1021)+[O]C(O)OO(975)<=>CH2O4(1005)+OC(O)O(1039) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1422; RMG #6250 +! PDep reaction: PDepNetwork #174 +! Flux pairs: O2(2), [O]C(O)OO(975); O[CH]O(970), [O]C(O)OO(975); +O2(2)+O[CH]O(970)(+M)<=>[O]C(O)OO(975)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.209e+00 5.104e-01 -2.820e-01 -2.401e-02 / + CHEB/ 3.364e+00 7.794e-01 1.226e-01 -2.281e-02 / + CHEB/ 2.056e-02 1.994e-01 1.053e-01 8.639e-03 / + CHEB/ -2.383e-02 -3.368e-02 1.149e-02 1.394e-02 / + CHEB/ 1.128e-02 -4.428e-02 -1.313e-02 3.616e-03 / + CHEB/ -4.537e-03 -1.216e-03 -4.175e-03 -1.955e-03 / + +! Reaction index: Chemkin #1423; RMG #6728 +! PDep reaction: PDepNetwork #260 +! Flux pairs: [O]C(O)OO(975), [O]OC(O)O(973); +[O]C(O)OO(975)(+M)<=>[O]OC(O)O(973)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.296e+00 1.870e+00 -3.022e-01 -1.749e-02 / + CHEB/ 7.935e+00 7.578e-01 8.813e-02 -2.672e-02 / + CHEB/ -4.517e-01 2.804e-01 1.067e-01 -4.253e-03 / + CHEB/ -1.294e-01 7.716e-03 2.797e-02 1.201e-02 / + CHEB/ 1.039e-02 -4.020e-02 -3.747e-03 7.300e-03 / + CHEB/ 1.157e-02 -5.180e-03 -3.531e-03 -1.350e-04 / + +! Reaction index: Chemkin #1424; RMG #6310 +! Template reaction: Birad_R_Recombination +! Flux pairs: O[CH]OO(1038), [O]C(O)OO(975); O(16), [O]C(O)OO(975); +! Estimated using template [Y_rad;O_birad] for rate rule [C_rad/H/O2;O_birad] +! Euclidian distance = 4.0 +! family: Birad_R_Recombination +! Ea raised from -8.3 to 0 kJ/mol. +O(16)+O[CH]OO(1038)<=>[O]C(O)OO(975) 1.667731e+09 1.126 0.000 + +! Reaction index: Chemkin #1425; RMG #6312 +! PDep reaction: PDepNetwork #231 +! Flux pairs: OH(3), [O]C(O)OO(975); OC1OO1(1047), [O]C(O)OO(975); +OH(3)+OC1OO1(1047)(+M)<=>[O]C(O)OO(975)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.150e+01 1.167e+00 -1.575e-01 -3.500e-02 / + CHEB/ -1.971e-01 8.240e-02 3.618e-02 6.550e-03 / + CHEB/ -3.011e-01 1.514e-01 5.030e-02 -6.143e-04 / + CHEB/ -9.541e-02 3.436e-02 1.467e-02 2.883e-03 / + CHEB/ -2.308e-02 -1.147e-02 1.735e-03 4.424e-03 / + CHEB/ -3.272e-02 1.249e-03 2.227e-03 1.475e-03 / + +! Reaction index: Chemkin #1426; RMG #6597 +! PDep reaction: PDepNetwork #254 +! Flux pairs: O(16), [O]C(O)OO(975); [O]C(O)O(972), [O]C(O)OO(975); +O(16)+[O]C(O)O(972)(+M)<=>[O]C(O)OO(975)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.848e+00 1.113e+00 -1.925e-01 -5.205e-02 / + CHEB/ 1.339e+00 3.264e-01 1.338e-01 2.197e-02 / + CHEB/ 1.419e-01 5.786e-02 4.270e-02 2.041e-02 / + CHEB/ 6.523e-02 -1.122e-02 -5.951e-03 -9.288e-04 / + CHEB/ 5.034e-02 -1.686e-02 -8.518e-03 -2.558e-03 / + CHEB/ 7.675e-04 1.943e-03 1.121e-03 3.001e-04 / + +! Reaction index: Chemkin #1427; RMG #6651 +! PDep reaction: PDepNetwork #175 +! Flux pairs: [O]C(O)O(972), [O]C(O)OO(975); OH(3), H(5); +OH(3)+[O]C(O)O(972)(+M)<=>H(5)+[O]C(O)OO(975)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.319e+01 -1.051e-02 -6.415e-03 -2.990e-03 / + CHEB/ 2.014e+01 1.115e-02 6.778e-03 3.132e-03 / + CHEB/ 2.410e-01 -1.955e-03 -1.165e-03 -5.161e-04 / + CHEB/ 7.798e-02 -1.017e-04 -7.215e-05 -4.290e-05 / + CHEB/ 2.155e-02 -3.101e-04 -1.893e-04 -8.820e-05 / + CHEB/ 8.141e-03 -2.011e-04 -1.241e-04 -5.905e-05 / + +! Reaction index: Chemkin #1428; RMG #6659 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+[O]C(O)OO(975)<=>CO2(9)+OOC(O)O(1086) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1429; RMG #6662 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+[O]C(O)OO(975)<=>CO2(9)+OOC(O)O(1086) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1430; RMG #6668 +! PDep reaction: PDepNetwork #259 +! Flux pairs: OOC(O)O(1086), H(5); OOC(O)O(1086), [O]C(O)OO(975); +OOC(O)O(1086)(+M)<=>H(5)+[O]C(O)OO(975)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.121e+01 1.510e+00 -6.532e-03 -3.044e-03 / + CHEB/ 3.326e+01 1.112e-02 6.761e-03 3.123e-03 / + CHEB/ -1.022e-01 -1.936e-03 -1.153e-03 -5.104e-04 / + CHEB/ 1.209e-02 -9.999e-05 -7.102e-05 -4.231e-05 / + CHEB/ 4.823e-02 -3.260e-04 -1.989e-04 -9.269e-05 / + CHEB/ 4.706e-02 -2.192e-04 -1.352e-04 -6.426e-05 / + +! Reaction index: Chemkin #1431; RMG #6725 +! PDep reaction: PDepNetwork #260 +! Flux pairs: [O]C(O)OO(975), H(5); [O]C(O)OO(975), CH2O4(1005); +[O]C(O)OO(975)(+M)<=>H(5)+CH2O4(1005)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.859e+00 4.947e-01 -1.019e-01 6.266e-03 / + CHEB/ 1.778e+00 6.037e-01 -5.328e-02 -2.137e-02 / + CHEB/ 4.062e-02 2.517e-01 2.444e-02 -1.698e-02 / + CHEB/ -6.686e-02 5.571e-02 3.577e-02 -3.186e-03 / + CHEB/ -3.607e-02 -1.162e-02 2.123e-02 4.080e-03 / + CHEB/ -1.219e-02 -1.045e-02 4.942e-03 4.641e-03 / + +! Reaction index: Chemkin #1432; RMG #6678 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+[O]C(O)OO(975)<=>FA(1)+OOC(O)O(1086) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1433; RMG #6681 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+[O]C(O)OO(975)<=>FA(1)+OOC(O)O(1086) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1434; RMG #6684 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); [O]C(O)OO(975), OOC(O)O(1086); +! From training reaction 200 used for Orad_O_H;O_rad/NonDeC +! Exact match found for rate rule [Orad_O_H;O_rad/NonDeC] +! Euclidian distance = 0 +! family: H_Abstraction +HO2(4)+[O]C(O)OO(975)<=>O2(2)+OOC(O)O(1086) 1.400000e+11 0.000 0.000 + +! Reaction index: Chemkin #1435; RMG #6687 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), H2O2(18); OOC(O)O(1086), [O]C(O)OO(975); +! From training reaction 198 used for O/H/NonDeC;O_rad/NonDeO +! Exact match found for rate rule [O/H/NonDeC;O_rad/NonDeO] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HO2(4)+OOC(O)O(1086)<=>H2O2(18)+[O]C(O)OO(975) 3.000000e-03 4.610 18.581 + +! Reaction index: Chemkin #1436; RMG #6689 +! Template reaction: CO_Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+[O]C(O)OO(975)<=>CO(8)+OOC(O)O(1086) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #1437; RMG #6692 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OO[C](O)O(1010)+[O]C(O)OO(975)<=>CH2O4(1005)+OOC(O)O(1086) 3.620000e+13 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #1438; RMG #6695 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); [O]C(O)OO(975), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)OO(975)+[O]C(O)OO(975)<=>CH2O4(1005)+OOC(O)O(1086) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1439; RMG #6696 +! Template reaction: Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); [O]C(O)OO(975), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)OO(975)+[O]OC(O)O(973)<=>CH2O4(1005)+OOC(O)O(1086) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1440; RMG #6697 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); OO[C](O)O(1010), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OO[C](O)O(1010)+[O]C(O)OO(975)<=>CH2O4(1005)+OOC(O)O(1086) 1.356420e+10 0.470 0.000 +DUPLICATE + +! Reaction index: Chemkin #1441; RMG #6698 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+[O]C(O)OO(975)<=>CH2O3(1000)+OOC(O)O(1086) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #1442; RMG #6701 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+[O]C(O)OO(975)<=>CH2O3(1000)+OOC(O)O(1086) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1443; RMG #6712 +! PDep reaction: PDepNetwork #167 +! Flux pairs: HO2CHO(68), FA(1); OH(3), HO2(4); +OH(3)+HO2CHO(68)(+M)<=>HO2(4)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.606e+00 -3.067e-01 -1.416e-01 -3.484e-02 / + CHEB/ 9.015e+00 1.069e-01 4.685e-02 8.812e-03 / + CHEB/ 4.411e-01 1.344e-01 4.970e-02 3.542e-03 / + CHEB/ 1.279e-01 2.108e-02 1.166e-02 4.187e-03 / + CHEB/ 3.247e-02 -1.627e-02 -1.385e-03 3.582e-03 / + CHEB/ 1.237e-02 -5.303e-04 5.880e-04 7.873e-04 / + +! Reaction index: Chemkin #1444; RMG #6726 +! PDep reaction: PDepNetwork #260 +! Flux pairs: [O]C(O)OO(975), OH(3); [O]C(O)OO(975), HO2CHO(68); +[O]C(O)OO(975)(+M)<=>OH(3)+HO2CHO(68)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.958e+00 1.199e+00 -1.469e-01 -3.517e-02 / + CHEB/ 1.082e+01 9.847e-02 4.286e-02 7.760e-03 / + CHEB/ 5.247e-02 1.381e-01 4.945e-02 2.277e-03 / + CHEB/ -2.961e-02 2.525e-02 1.273e-02 3.833e-03 / + CHEB/ -4.296e-03 -1.425e-02 -2.472e-04 3.852e-03 / + CHEB/ -1.056e-02 2.988e-04 1.212e-03 1.039e-03 / + +! Reaction index: Chemkin #1445; RMG #6709 +! PDep reaction: PDepNetwork #167 +! Flux pairs: OH(3), [O]OC(O)O(973); HO2CHO(68), [O]OC(O)O(973); +OH(3)+HO2CHO(68)(+M)<=>[O]OC(O)O(973)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.662e+00 7.868e-01 -2.588e-01 -3.722e-02 / + CHEB/ 9.628e+00 6.206e-01 1.582e-01 -6.888e-03 / + CHEB/ 4.790e-01 1.047e-01 8.103e-02 2.362e-02 / + CHEB/ 1.888e-01 -3.474e-02 -6.215e-03 7.299e-03 / + CHEB/ 1.084e-01 -2.946e-02 -1.390e-02 -1.883e-03 / + CHEB/ 5.237e-02 3.201e-03 -3.602e-04 -1.556e-03 / + +! Reaction index: Chemkin #1446; RMG #6723 +! PDep reaction: PDepNetwork #254 +! Flux pairs: [O]C(O)O(972), HO2CHO(68); O(16), OH(3); +O(16)+[O]C(O)O(972)(+M)<=>OH(3)+HO2CHO(68)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.456e+00 -3.459e-01 -1.673e-01 -4.809e-02 / + CHEB/ 3.734e+00 3.096e-01 1.334e-01 2.646e-02 / + CHEB/ 9.461e-01 2.768e-02 2.818e-02 1.740e-02 / + CHEB/ 2.602e-01 -1.532e-02 -9.207e-03 -2.871e-03 / + CHEB/ 7.826e-02 -1.292e-02 -6.996e-03 -2.591e-03 / + CHEB/ 2.282e-02 2.667e-03 1.572e-03 5.461e-04 / + +! Reaction index: Chemkin #1447; RMG #6717 +! PDep reaction: PDepNetwork #174 +! Flux pairs: O[CH]O(970), HO2CHO(68); O2(2), OH(3); +O2(2)+O[CH]O(970)(+M)<=>OH(3)+HO2CHO(68)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.410e+00 -6.502e-01 -2.409e-01 -3.958e-02 / + CHEB/ 7.277e+00 5.862e-01 1.651e-01 -6.189e-05 / + CHEB/ 8.485e-01 6.367e-02 6.680e-02 2.577e-02 / + CHEB/ 1.978e-01 -3.794e-02 -1.257e-02 3.898e-03 / + CHEB/ 5.651e-02 -2.359e-02 -1.302e-02 -3.442e-03 / + CHEB/ 1.976e-02 4.833e-03 1.069e-03 -1.040e-03 / + +! Reaction index: Chemkin #1448; RMG #6733 +! PDep reaction: PDepNetwork #43 +! Flux pairs: CO2(9), C2HO3(1055); CH2O(12), H(5); +CO2(9)+CH2O(12)(+M)<=>H(5)+C2HO3(1055)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.869e+01 -1.988e-03 -1.225e-03 -5.809e-04 / + CHEB/ 4.846e+01 2.487e-03 1.531e-03 7.256e-04 / + CHEB/ 4.810e-01 -4.285e-04 -2.629e-04 -1.237e-04 / + CHEB/ 1.877e-01 -1.921e-04 -1.186e-04 -5.656e-05 / + CHEB/ 6.186e-02 8.391e-05 5.157e-05 2.435e-05 / + CHEB/ 2.164e-02 4.620e-05 2.850e-05 1.356e-05 / + +! Reaction index: Chemkin #1449; RMG #7615 +! PDep reaction: PDepNetwork #302 +! Flux pairs: CH3CO(47), CO2(9); OH(3), CH4(20); +OH(3)+CH3CO(47)(+M)<=>CO2(9)+CH4(20)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.282e+01 -7.570e-01 -1.407e-01 1.312e-02 / + CHEB/ 4.958e-01 6.346e-01 4.444e-02 -3.529e-02 / + CHEB/ 1.332e-02 1.526e-01 7.250e-02 -4.786e-04 / + CHEB/ -4.337e-02 -9.232e-03 2.459e-02 1.287e-02 / + CHEB/ -3.070e-02 -3.224e-02 -4.535e-03 6.565e-03 / + CHEB/ -1.446e-02 -1.942e-02 -9.475e-03 -2.815e-04 / + +! Reaction index: Chemkin #1450; RMG #6741 +! PDep reaction: PDepNetwork #78 +! Flux pairs: CO2(9), CH3CO2(73); CH4(20), H(5); +CO2(9)+CH4(20)(+M)<=>H(5)+CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.579e+01 -6.731e-01 -1.410e-01 9.912e-03 / + CHEB/ 3.912e+01 6.312e-01 7.253e-02 -3.289e-02 / + CHEB/ 1.784e-01 1.090e-01 7.178e-02 8.122e-03 / + CHEB/ 3.868e-03 -3.520e-02 1.199e-02 1.406e-02 / + CHEB/ -1.351e-02 -3.601e-02 -1.229e-02 3.051e-03 / + CHEB/ -5.018e-03 -1.405e-02 -1.017e-02 -2.931e-03 / + +! Reaction index: Chemkin #1451; RMG #6755 +! PDep reaction: PDepNetwork #236 +! Flux pairs: HOCO(10), CO2(9); CH3(7), CH4(20); +HOCO(10)+CH3(7)(+M)<=>CO2(9)+CH4(20)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.125e+01 -1.029e+00 -7.455e-02 7.162e-03 / + CHEB/ 8.148e-01 6.974e-01 -4.733e-02 -1.228e-02 / + CHEB/ 5.904e-02 2.956e-01 3.902e-02 -1.606e-02 / + CHEB/ -7.332e-02 4.800e-02 4.602e-02 -1.435e-03 / + CHEB/ -5.701e-02 -3.394e-02 1.770e-02 7.386e-03 / + CHEB/ -2.773e-02 -3.445e-02 -3.073e-03 5.705e-03 / + +! Reaction index: Chemkin #1452; RMG #7690 +! PDep reaction: PDepNetwork #324 +! Flux pairs: C2H3O2(1088), CO2(9); H(5), CH4(20); +H(5)+C2H3O2(1088)(+M)<=>CO2(9)+CH4(20)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.278e+01 -9.137e-01 -9.404e-02 1.073e-02 / + CHEB/ 8.543e-01 7.344e-01 -1.501e-02 -2.155e-02 / + CHEB/ 3.749e-02 2.279e-01 6.744e-02 -1.207e-02 / + CHEB/ -6.759e-02 -5.284e-03 4.167e-02 8.325e-03 / + CHEB/ -4.287e-02 -4.787e-02 2.123e-03 1.015e-02 / + CHEB/ -1.651e-02 -2.837e-02 -1.178e-02 2.503e-03 / + +! Reaction index: Chemkin #1453; RMG #6748 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), HOCH2O(38); H(5), CO(8); +H(5)+C2H2O3(976)(+M)<=>CO(8)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.104e+00 -1.840e-03 -1.134e-03 -5.387e-04 / + CHEB/ 1.636e+01 8.994e-04 5.542e-04 2.630e-04 / + CHEB/ 3.031e-01 -1.686e-04 -1.033e-04 -4.857e-05 / + CHEB/ 1.016e-01 -3.370e-04 -2.076e-04 -9.842e-05 / + CHEB/ 4.066e-02 -1.778e-04 -1.095e-04 -5.192e-05 / + CHEB/ 1.906e-02 -5.586e-05 -3.440e-05 -1.631e-05 / + +! Reaction index: Chemkin #1454; RMG #6749 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), CO2(9); H(5), CH3O(27); +H(5)+C2H2O3(976)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.971e+00 -1.957e-03 -1.206e-03 -5.730e-04 / + CHEB/ 1.601e+01 9.810e-04 6.042e-04 2.865e-04 / + CHEB/ 2.444e-01 -1.267e-04 -7.764e-05 -3.643e-05 / + CHEB/ 9.677e-02 -3.406e-04 -2.098e-04 -9.950e-05 / + CHEB/ 4.298e-02 -1.822e-04 -1.122e-04 -5.321e-05 / + CHEB/ 2.011e-02 -5.409e-05 -3.330e-05 -1.577e-05 / + +! Reaction index: Chemkin #1455; RMG #5757 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1024), CH3CO2(73); OH(3), H2O(17); +! From training reaction 692 used for O/H/OneDeC;O_pri_rad +! Exact match found for rate rule [O/H/OneDeC;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+C2H4O2(1024)<=>H2O(17)+CH3CO2(73) 1.200000e+06 2.000 -0.250 + +! Reaction index: Chemkin #1456; RMG #6422 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1024), CH3CO2(73); H(5), H2(6); +! From training reaction 690 used for O/H/OneDeC;H_rad +! Exact match found for rate rule [O/H/OneDeC;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+C2H4O2(1024)<=>H2(6)+CH3CO2(73) 2.400000e+08 1.500 6.620 + +! Reaction index: Chemkin #1457; RMG #6533 +! PDep reaction: PDepNetwork #171 +! Flux pairs: H2O(17), C2H4O2(1024); CH2CO(30), C2H4O2(1024); +H2O(17)+CH2CO(30)(+M)<=>C2H4O2(1024)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.196e+00 1.755e-01 -2.761e-02 8.581e-04 / + CHEB/ 1.355e+01 3.193e-01 -4.665e-02 4.484e-04 / + CHEB/ 2.203e-02 2.390e-01 -2.646e-02 -2.046e-03 / + CHEB/ -9.795e-02 1.441e-01 -6.100e-03 -3.458e-03 / + CHEB/ -7.947e-02 6.527e-02 5.996e-03 -2.837e-03 / + CHEB/ -4.188e-02 1.639e-02 8.613e-03 -1.048e-03 / + +! Reaction index: Chemkin #1458; RMG #6609 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1024), C2H3O2(1088); OH(3), H2O(17); +! From training reaction 238 used for C/H3/CO;O_pri_rad +! Exact match found for rate rule [C/H3/CO;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +OH(3)+C2H4O2(1024)<=>H2O(17)+C2H3O2(1088) 8.500000e+13 0.000 5.313 + +! Reaction index: Chemkin #1459; RMG #6676 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1024), C2H3O2(1088); H(5), H2(6); +! From training reaction 235 used for C/H3/CO;H_rad +! Exact match found for rate rule [C/H3/CO;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +H(5)+C2H4O2(1024)<=>H2(6)+C2H3O2(1088) 2.700000e+03 3.100 5.203 + +! Reaction index: Chemkin #1460; RMG #6771 +! PDep reaction: PDepNetwork #261 +! Flux pairs: C2H4O2(1024), CO2(9); C2H4O2(1024), CH4(20); +C2H4O2(1024)(+M)<=>CO2(9)+CH4(20)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.525e+01 1.503e-01 -2.274e-02 4.084e-04 / + CHEB/ 2.296e+01 2.765e-01 -3.935e-02 2.802e-05 / + CHEB/ -1.762e-01 2.144e-01 -2.439e-02 -1.613e-03 / + CHEB/ -1.803e-01 1.376e-01 -8.186e-03 -2.694e-03 / + CHEB/ -1.117e-01 6.961e-02 2.816e-03 -2.436e-03 / + CHEB/ -5.717e-02 2.339e-02 6.651e-03 -1.189e-03 / + +! Reaction index: Chemkin #1461; RMG #6754 +! PDep reaction: PDepNetwork #236 +! Flux pairs: HOCO(10), C2H4O2(1024); CH3(7), C2H4O2(1024); +HOCO(10)+CH3(7)(+M)<=>C2H4O2(1024)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.247e+01 3.970e-01 -7.998e-02 8.551e-03 / + CHEB/ -8.764e-01 5.768e-01 -7.168e-02 -8.526e-03 / + CHEB/ -4.585e-01 2.777e-01 1.076e-02 -1.717e-02 / + CHEB/ -2.186e-01 8.032e-02 3.314e-02 -7.573e-03 / + CHEB/ -8.637e-02 -2.433e-03 2.085e-02 2.050e-03 / + CHEB/ -2.390e-02 -2.061e-02 5.253e-03 4.448e-03 / + +! Reaction index: Chemkin #1462; RMG #7618 +! PDep reaction: PDepNetwork #302 +! Flux pairs: CH3CO(47), HOCO(10); OH(3), CH3(7); +OH(3)+CH3CO(47)(+M)<=>HOCO(10)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.219e+01 -7.300e-01 -1.384e-01 1.198e-02 / + CHEB/ 5.554e-01 6.451e-01 5.278e-02 -3.477e-02 / + CHEB/ 9.734e-02 1.347e-01 7.320e-02 2.540e-03 / + CHEB/ -2.821e-02 -2.435e-02 1.958e-02 1.386e-02 / + CHEB/ -3.406e-02 -3.609e-02 -8.559e-03 5.367e-03 / + CHEB/ -1.804e-02 -1.714e-02 -1.034e-02 -1.574e-03 / + +! Reaction index: Chemkin #1463; RMG #6758 +! PDep reaction: PDepNetwork #236 +! Flux pairs: HOCO(10), CH3CO2(73); CH3(7), H(5); +HOCO(10)+CH3(7)(+M)<=>H(5)+CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.180e+00 -6.506e-01 -1.395e-01 8.717e-03 / + CHEB/ 5.799e+00 6.321e-01 7.856e-02 -3.193e-02 / + CHEB/ 1.395e-01 9.073e-02 6.989e-02 1.044e-02 / + CHEB/ -5.214e-03 -4.465e-02 7.043e-03 1.383e-02 / + CHEB/ -1.800e-02 -3.521e-02 -1.441e-02 1.562e-03 / + CHEB/ -7.764e-03 -1.059e-02 -9.510e-03 -3.648e-03 / + +! Reaction index: Chemkin #1464; RMG #7694 +! PDep reaction: PDepNetwork #324 +! Flux pairs: C2H3O2(1088), HOCO(10); H(5), CH3(7); +H(5)+C2H3O2(1088)(+M)<=>HOCO(10)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.178e+01 -8.625e-01 -9.970e-02 1.034e-02 / + CHEB/ 1.342e+00 7.473e-01 -1.386e-03 -2.454e-02 / + CHEB/ 1.104e-01 1.868e-01 7.595e-02 -8.283e-03 / + CHEB/ -7.961e-02 -3.137e-02 3.473e-02 1.226e-02 / + CHEB/ -5.294e-02 -4.976e-02 -6.082e-03 9.322e-03 / + CHEB/ -2.089e-02 -2.175e-02 -1.377e-02 -5.725e-05 / + +! Reaction index: Chemkin #1465; RMG #6763 +! Template reaction: CO_Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+CH3CO2(73)<=>CO(8)+C2H4O2(1024) 1.806000e+14 0.000 0.000 + +! Reaction index: Chemkin #1466; RMG #6764 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_4CO->C_Ext-5C-R +HCO(13)+C2H3O2(1088)<=>CO(8)+C2H4O2(1024) 6.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1467; RMG #6765 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+CH3CO2(73)<=>CO2(9)+C2H4O2(1024) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1468; RMG #6766 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+C2H3O2(1088)<=>CO2(9)+C2H4O2(1024) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1469; RMG #6767 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+CH3CO2(73)<=>CO2(9)+C2H4O2(1024) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1470; RMG #6768 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2H3O2(1088)<=>CO2(9)+C2H4O2(1024) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1471; RMG #7614 +! PDep reaction: PDepNetwork #302 +! Flux pairs: OH(3), C2H4O2(1024); CH3CO(47), C2H4O2(1024); +OH(3)+CH3CO(47)(+M)<=>C2H4O2(1024)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.315e+01 7.196e-01 -1.498e-01 1.316e-02 / + CHEB/ -8.686e-01 5.942e-01 2.458e-02 -3.794e-02 / + CHEB/ -4.265e-01 1.577e-01 6.447e-02 -5.732e-03 / + CHEB/ -1.813e-01 8.210e-03 2.761e-02 9.976e-03 / + CHEB/ -6.178e-02 -2.128e-02 1.210e-03 7.041e-03 / + CHEB/ -9.659e-03 -1.705e-02 -6.174e-03 1.411e-03 / + +! Reaction index: Chemkin #1472; RMG #6774 +! PDep reaction: PDepNetwork #261 +! Flux pairs: C2H4O2(1024), H(5); C2H4O2(1024), CH3CO2(73); +C2H4O2(1024)(+M)<=>H(5)+CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.102e+01 8.094e-01 -1.481e-01 1.025e-02 / + CHEB/ 3.431e+01 6.096e-01 5.755e-02 -3.580e-02 / + CHEB/ -5.189e-01 1.274e-01 7.043e-02 3.656e-03 / + CHEB/ -2.379e-01 -1.553e-02 1.913e-02 1.328e-02 / + CHEB/ -8.098e-02 -2.904e-02 -6.426e-03 5.074e-03 / + CHEB/ -1.221e-02 -1.569e-02 -8.731e-03 -1.128e-03 / + +! Reaction index: Chemkin #1473; RMG #7689 +! PDep reaction: PDepNetwork #324 +! Flux pairs: H(5), C2H4O2(1024); C2H3O2(1088), C2H4O2(1024); +H(5)+C2H3O2(1088)(+M)<=>C2H4O2(1024)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.348e+01 5.379e-01 -9.916e-02 1.118e-02 / + CHEB/ -8.610e-01 6.682e-01 -3.780e-02 -2.067e-02 / + CHEB/ -4.875e-01 2.430e-01 5.019e-02 -1.696e-02 / + CHEB/ -2.192e-01 3.064e-02 4.236e-02 2.206e-03 / + CHEB/ -7.683e-02 -2.720e-02 1.163e-02 8.506e-03 / + CHEB/ -1.402e-02 -2.501e-02 -4.765e-03 4.603e-03 / + +! Reaction index: Chemkin #1474; RMG #6778 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]OC(O)O(973); CHO3(986), CH2O3(1000); +! Estimated using an average for rate rule [O/H/NonDeO;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+OOC(O)O(1086)<=>CH2O3(1000)+[O]OC(O)O(973) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #1475; RMG #6779 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O[CH]OO(1038)+[O]C(O)OO(975)<=>HO2CHO(68)+OOC(O)O(1086) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1476; RMG #6780 +! Template reaction: Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O[CH]OO(1038)+[O]OC(O)O(973)<=>HO2CHO(68)+OOC(O)O(1086) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1477; RMG #6781 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O[CH]OO(1038)+OO[C](O)O(1010)<=>HO2CHO(68)+OOC(O)O(1086) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1478; RMG #9138 +! PDep reaction: PDepNetwork #367 +! Flux pairs: [O]C#CO(1004), C2HO3(991); OH(3), H(5); +OH(3)+[O]C#CO(1004)(+M)<=>H(5)+C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.380e+01 -3.560e-03 -2.160e-03 -9.959e-04 / + CHEB/ -1.508e-01 -3.516e-03 -2.107e-03 -9.455e-04 / + CHEB/ -1.239e-01 -2.260e-03 -1.343e-03 -5.933e-04 / + CHEB/ -9.085e-02 -1.208e-03 -7.088e-04 -3.054e-04 / + CHEB/ -5.986e-02 -5.209e-04 -2.991e-04 -1.231e-04 / + CHEB/ -3.550e-02 -1.485e-04 -8.014e-05 -2.854e-05 / + +! Reaction index: Chemkin #1479; RMG #6791 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +O[CH]O(970)+CH3CO2(73)<=>FA(1)+C2H4O2(1024) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #1480; RMG #6792 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2H3O2(1088)<=>FA(1)+C2H4O2(1024) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1481; RMG #6793 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +HOCH2O(38)+CH3CO2(73)<=>FA(1)+C2H4O2(1024) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1482; RMG #6794 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2H3O2(1088)<=>FA(1)+C2H4O2(1024) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #1483; RMG #6797 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 6.0 +O[C](O)O(1021)+CH3CO2(73)<=>CH2O3(1000)+C2H4O2(1024) 1.086000e+14 0.000 0.000 + +! Reaction index: Chemkin #1484; RMG #6798 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2H3O2(1088)<=>CH2O3(1000)+C2H4O2(1024) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #1485; RMG #6799 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C(O)O(972)+CH3CO2(73)<=>CH2O3(1000)+C2H4O2(1024) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1486; RMG #6800 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+C2H3O2(1088)<=>CH2O3(1000)+C2H4O2(1024) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1487; RMG #6803 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+CH3CO2(73)<=>CH2O(12)+C2H4O2(1024) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1488; RMG #6804 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+C2H3O2(1088)<=>CH2O(12)+C2H4O2(1024) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1489; RMG #6805 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 6.0 +CH3O(27)+CH3CO2(73)<=>CH2O(12)+C2H4O2(1024) 2.160000e+07 2.000 0.000 + +! Reaction index: Chemkin #1490; RMG #6806 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2H3O2(1088)<=>CH2O(12)+C2H4O2(1024) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #1491; RMG #6807 +! Template reaction: H_Abstraction +! Flux pairs: HCO(13), CH2O(12); OCHCHO(52), OCHCO(63); +! Estimated using average of templates [CO_H;CO_rad] + [CO_sec;Y_rad] for rate rule [CO/H/OneDe;CO_pri_rad] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HCO(13)+OCHCHO(52)<=>CH2O(12)+OCHCO(63) 1.940764e+09 0.872 10.226 + +! Reaction index: Chemkin #1492; RMG #6808 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); HOCH2O(38), OCO(1022); +! From training reaction 368 used for CO_pri;O_rad/NonDeC +! Exact match found for rate rule [CO_pri;O_rad/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(12)+HOCH2O(38)<=>HCO(13)+OCO(1022) 1.020000e+11 0.000 2.980 + +! Reaction index: Chemkin #1493; RMG #6809 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); O[CH]O(970), OCO(1022); +! Estimated using template [CO_pri;C_sec_rad] for rate rule [CO_pri;C_rad/H/O2] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(12)+O[CH]O(970)<=>HCO(13)+OCO(1022) 1.080000e+11 0.000 6.960 + +! Reaction index: Chemkin #1494; RMG #6810 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); C2HO3(993), C2H2O3(977); +! Estimated using template [CO_pri;O_rad/OneDe] for rate rule [CO_pri;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CH2O(12)+C2HO3(993)<=>HCO(13)+C2H2O3(977) 1.420000e-07 5.640 9.221 + +! Reaction index: Chemkin #1495; RMG #6811 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); C2HO3(991), C2H2O3(977); +! Estimated using template [CO_pri;CO_sec_rad] for rate rule [CO_pri;CO_rad/OneDe] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(12)+C2HO3(991)<=>HCO(13)+C2H2O3(977) 1.810000e+11 0.000 12.920 + +! Reaction index: Chemkin #1496; RMG #6818 +! Template reaction: Disproportionation +! Flux pairs: C2HO2(1001), C2H2O2(1070); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2HO2(1001)<=>CH2O3(1000)+C2H2O2(1070) 8.566830e+13 -0.375 0.000 + +! Reaction index: Chemkin #1497; RMG #6819 +! Template reaction: Disproportionation +! Flux pairs: C2HO2(1001), C2H2O2(1070); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+C2HO2(1001)<=>CH2O3(1000)+C2H2O2(1070) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1498; RMG #6828 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); [O]C(O)O(972), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C(O)O(972)+OCH2CHO(510)<=>OC(O)O(1039)+OCHCHO(52) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1499; RMG #6829 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +O[C](O)O(1021)+OCH2CHO(510)<=>OC(O)O(1039)+OCHCHO(52) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1500; RMG #6834 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1024); CH3CO2(73), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CH3CO2(73)+OCH2CHO(510)<=>OCHCHO(52)+C2H4O2(1024) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1501; RMG #6835 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); OCH2CHO(510), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +OCH2CHO(510)+C2H3O2(1088)<=>OCHCHO(52)+C2H4O2(1024) 1.262218e+13 -0.199 0.000 + +! Reaction index: Chemkin #1502; RMG #781 +! Library reaction: CurranPentane +! Flux pairs: CH3OCO(98), CH2OCHO(97); +CH3OCO(98)<=>CH2OCHO(97) 1.629000e+12 -0.180 40.670 + +! Reaction index: Chemkin #1503; RMG #784 +! Library reaction: CurranPentane +! Flux pairs: HCO(13), CH2OCHO(97); CH2O(12), CH2OCHO(97); +HCO(13)+CH2O(12)<=>CH2OCHO(97) 1.500000e+11 0.000 11.900 + +! Reaction index: Chemkin #1504; RMG #4543 +! PDep reaction: PDepNetwork #24 +! Flux pairs: FA(1), CH2OCHO(97); CH2O(12), OH(3); +CH2O(12)+FA(1)(+M)<=>OH(3)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.300e+01 -1.050e+00 -9.972e-02 1.375e-02 / + CHEB/ 2.909e+01 5.963e-01 -5.199e-02 -1.746e-02 / + CHEB/ 2.089e-02 2.571e-01 2.644e-02 -1.813e-02 / + CHEB/ -1.251e-01 5.229e-02 3.592e-02 -3.518e-03 / + CHEB/ -1.055e-01 -2.337e-02 1.685e-02 5.310e-03 / + CHEB/ -5.124e-02 -2.882e-02 5.036e-04 5.241e-03 / + +! Reaction index: Chemkin #1505; RMG #6750 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), CH2OCHO(97); H(5), O(16); +H(5)+C2H2O3(976)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.032e+01 -2.959e-04 -1.826e-04 -8.700e-05 / + CHEB/ 2.707e+01 -2.894e-05 -1.784e-05 -8.477e-06 / + CHEB/ 1.934e-01 -9.562e-05 -5.901e-05 -2.809e-05 / + CHEB/ 7.135e-02 -1.009e-04 -6.230e-05 -2.966e-05 / + CHEB/ 2.755e-02 -6.575e-05 -4.057e-05 -1.931e-05 / + CHEB/ 1.112e-02 -3.491e-05 -2.153e-05 -1.024e-05 / + +! Reaction index: Chemkin #1506; RMG #6890 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), CO(8); CH2OCHO(97), CH2OH(26); +CH2OCHO(97)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.699e+00 -6.602e-01 -1.677e-01 8.030e-03 / + CHEB/ 1.285e+01 8.196e-01 -1.662e-02 -2.378e-02 / + CHEB/ -1.831e-01 2.029e-01 2.843e-02 3.967e-03 / + CHEB/ -1.701e-01 3.984e-02 -1.807e-03 9.541e-03 / + CHEB/ -6.127e-02 2.576e-02 -6.426e-03 1.574e-04 / + CHEB/ -5.899e-03 2.286e-02 2.749e-03 -2.686e-03 / + +! Reaction index: Chemkin #1507; RMG #6885 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CH2OH(26), OCHO(11); CO(8), CH2(21); +CO(8)+CH2OH(26)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.623e+01 -4.382e-01 -1.725e-01 -2.595e-02 / + CHEB/ 3.141e+01 3.010e-01 8.814e-02 -7.722e-03 / + CHEB/ 3.803e-01 5.380e-02 3.066e-02 8.563e-03 / + CHEB/ 9.975e-02 -1.236e-02 1.298e-03 4.984e-03 / + CHEB/ 1.542e-02 -1.730e-02 -5.910e-03 5.882e-04 / + CHEB/ -4.239e-03 -5.893e-03 -3.327e-03 -9.237e-04 / + +! Reaction index: Chemkin #1508; RMG #6888 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); HCCO(53), CH2CO(30); +! Estimated using template [X_H;Cd_Cdd_rad/H] for rate rule [Orad_O_H;Cd_Cdd_rad/H] +! Euclidian distance = 2.0 +! family: H_Abstraction +HO2(4)+HCCO(53)<=>O2(2)+CH2CO(30) 2.051684e-02 4.261 19.764 + +! Reaction index: Chemkin #1509; RMG #6891 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), OCHO(11); CH2OCHO(97), CH2(21); +CH2OCHO(97)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.535e+01 1.060e+00 -1.810e-01 -2.681e-02 / + CHEB/ 3.169e+01 2.643e-01 7.001e-02 -1.265e-02 / + CHEB/ -2.159e-01 3.692e-02 2.180e-02 5.750e-03 / + CHEB/ -6.249e-02 -2.015e-02 -2.540e-03 3.773e-03 / + CHEB/ 9.860e-04 -2.090e-02 -7.174e-03 4.845e-04 / + CHEB/ 5.948e-03 -7.694e-03 -3.742e-03 -7.242e-04 / + +! Reaction index: Chemkin #1510; RMG #4592 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1031), C2HO3(991); OH(3), H2O(17); +! From training reaction 692 used for O/H/OneDeC;O_pri_rad +! Exact match found for rate rule [O/H/OneDeC;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+C2H2O3(1031)<=>H2O(17)+C2HO3(991) 2.400000e+06 2.000 -0.250 + +! Reaction index: Chemkin #1511; RMG #4930 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1031), C2HO3(991); H(5), H2(6); +! From training reaction 690 used for O/H/OneDeC;H_rad +! Exact match found for rate rule [O/H/OneDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(5)+C2H2O3(1031)<=>H2(6)+C2HO3(991) 4.800000e+08 1.500 6.620 + +! Reaction index: Chemkin #1512; RMG #5738 +! PDep reaction: PDepNetwork #134 +! Flux pairs: HCO(13), C2H2O3(1031); HOCO(10), C2H2O3(1031); +HCO(13)+HOCO(10)(+M)<=>C2H2O3(1031)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.536e+00 -9.010e-01 -5.460e-02 6.383e-04 / + CHEB/ 3.065e+00 1.021e+00 -6.574e-02 -4.932e-03 / + CHEB/ 7.534e-01 5.661e-01 3.838e-03 -9.502e-03 / + CHEB/ 2.971e-02 1.899e-01 3.020e-02 -4.257e-03 / + CHEB/ -5.681e-02 1.384e-02 1.716e-02 2.075e-03 / + CHEB/ -1.808e-02 -2.343e-02 4.517e-06 2.959e-03 / + +! Reaction index: Chemkin #1513; RMG #6916 +! PDep reaction: PDepNetwork #265 +! Flux pairs: C2H2O3(1031), CO(8); C2H2O3(1031), FA(1); +C2H2O3(1031)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.063e+01 -9.273e-01 -4.167e-02 -1.271e-03 / + CHEB/ 1.804e+01 1.007e+00 -5.507e-02 -4.926e-03 / + CHEB/ 6.890e-01 6.008e-01 -1.922e-03 -7.174e-03 / + CHEB/ -6.783e-02 2.258e-01 2.567e-02 -4.012e-03 / + CHEB/ -9.590e-02 2.567e-02 1.829e-02 1.140e-03 / + CHEB/ -2.981e-02 -2.544e-02 1.131e-03 2.801e-03 / + +! Reaction index: Chemkin #1514; RMG #6900 +! PDep reaction: PDepNetwork #265 +! Flux pairs: C2H2O3(1031), C2H2O3(977); +C2H2O3(1031)(+M)<=>C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.937e+00 3.267e-01 -2.033e-02 -2.343e-03 / + CHEB/ 1.268e+01 5.905e-01 -3.211e-02 -4.790e-03 / + CHEB/ 7.479e-01 4.314e-01 -1.247e-02 -4.603e-03 / + CHEB/ -2.570e-02 2.450e-01 5.501e-03 -3.353e-03 / + CHEB/ -1.073e-01 9.614e-02 1.270e-02 -1.186e-03 / + CHEB/ -5.513e-02 1.320e-02 9.409e-03 7.410e-04 / + +! Reaction index: Chemkin #1515; RMG #5843 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1031), C2HO3(991); O(16), OH(3); +! From training reaction 691 used for O/H/OneDeC;O_atom_triplet +! Exact match found for rate rule [O/H/OneDeC;O_atom_triplet] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +O(16)+C2H2O3(1031)<=>OH(3)+C2HO3(991) 3.400000e+08 1.500 4.130 + +! Reaction index: Chemkin #1516; RMG #5902 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1031), C2HO3(991); OCHO(11), FA(1); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/OneDeC;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OCHO(11)+C2H2O3(1031)<=>FA(1)+C2HO3(991) 1.398000e-01 3.750 19.545 + +! Reaction index: Chemkin #1517; RMG #5903 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1031), C2HO3(991); HOCO(10), FA(1); +! Estimated using template [O_sec;CO_rad/NonDe] for rate rule [O/H/OneDeC;CO_rad/NonDe] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HOCO(10)+C2H2O3(1031)<=>FA(1)+C2HO3(991) 3.165461e-04 4.663 41.320 + +! Reaction index: Chemkin #1518; RMG #5933 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1031), C2HO3(991); HO2(4), H2O2(18); +! Estimated using average of templates [O_sec;O_rad/NonDeO] + [O/H/OneDeC;O_rad] for rate rule [O/H/OneDeC;O_rad/NonDeO] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HO2(4)+C2H2O3(1031)<=>H2O2(18)+C2HO3(991) 8.973658e+03 2.720 5.911 + +! Reaction index: Chemkin #1519; RMG #10049 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), O[CH]O(970); H(5), CO(8); +H(5)+C2H2O3(1031)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.154e+01 -3.972e-01 -1.395e-01 -1.455e-02 / + CHEB/ 1.838e+00 4.370e-01 1.215e-01 -8.667e-03 / + CHEB/ 1.123e-01 -3.544e-02 2.137e-02 1.999e-02 / + CHEB/ 2.920e-02 -3.355e-02 -1.806e-02 -1.294e-03 / + CHEB/ 7.987e-03 -1.201e-02 -8.190e-03 -4.274e-03 / + CHEB/ 7.772e-03 4.164e-03 6.390e-04 -1.203e-03 / + +! Reaction index: Chemkin #1520; RMG #6145 +! PDep reaction: PDepNetwork #207 +! Flux pairs: OH(3), C2H2O3(1031); OCHCO(63), C2H2O3(1031); +OH(3)+OCHCO(63)(+M)<=>C2H2O3(1031)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.811e+00 6.768e-01 -2.489e-01 -1.589e-02 / + CHEB/ 1.820e+00 5.668e-01 1.076e-01 -1.712e-02 / + CHEB/ 6.163e-01 1.465e-01 7.020e-02 6.780e-03 / + CHEB/ 1.566e-01 1.803e-02 2.118e-02 8.957e-03 / + CHEB/ 2.777e-02 -1.408e-02 -1.861e-03 3.363e-03 / + CHEB/ 4.188e-03 -1.522e-02 -6.952e-03 -4.169e-04 / + +! Reaction index: Chemkin #1521; RMG #6152 +! PDep reaction: PDepNetwork #210 +! Flux pairs: H(5), C2H2O3(1031); C2HO3(991), C2H2O3(1031); +H(5)+C2HO3(991)(+M)<=>C2H2O3(1031)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.287e+01 3.762e-01 -5.711e-02 4.173e-03 / + CHEB/ -5.622e-01 4.917e-01 -4.254e-02 -3.786e-03 / + CHEB/ -3.147e-01 1.776e-01 6.127e-03 -3.630e-03 / + CHEB/ -1.211e-01 3.523e-02 8.292e-03 -3.575e-04 / + CHEB/ -3.909e-02 1.391e-03 2.482e-03 -4.393e-05 / + CHEB/ -1.388e-02 -1.233e-03 5.606e-04 -2.330e-04 / + +! Reaction index: Chemkin #1522; RMG #10039 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), C2H3O3(1032); C2H2O3(1031), C2H3O3(1032); +H(5)+C2H2O3(1031)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.062e+01 1.110e+00 -1.436e-01 -1.464e-02 / + CHEB/ 6.157e-01 4.377e-01 1.180e-01 -1.098e-02 / + CHEB/ -1.243e-02 -2.908e-02 2.389e-02 1.975e-02 / + CHEB/ 7.552e-02 -3.236e-02 -1.655e-02 -3.372e-04 / + CHEB/ 7.285e-02 -1.329e-02 -8.451e-03 -3.961e-03 / + CHEB/ 3.034e-02 3.393e-03 8.970e-05 -1.414e-03 / + +! Reaction index: Chemkin #1523; RMG #9139 +! PDep reaction: PDepNetwork #367 +! Flux pairs: [O]C#CO(1004), FA(1); OH(3), CO(8); +OH(3)+[O]C#CO(1004)(+M)<=>CO(8)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.083e+01 -3.021e-01 -1.319e-01 -2.770e-02 / + CHEB/ 2.040e+00 2.849e-01 1.089e-01 1.107e-02 / + CHEB/ 4.868e-01 2.771e-02 2.446e-02 1.316e-02 / + CHEB/ 5.699e-02 -1.529e-02 -4.058e-03 1.979e-03 / + CHEB/ -4.194e-02 -1.200e-02 -6.618e-03 -2.073e-03 / + CHEB/ -3.533e-02 -5.301e-03 -3.507e-03 -1.722e-03 / + +! Reaction index: Chemkin #1524; RMG #9142 +! PDep reaction: PDepNetwork #367 +! Flux pairs: [O]C#CO(1004), HOCO(10); OH(3), HCO(13); +OH(3)+[O]C#CO(1004)(+M)<=>HCO(13)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.145e+01 -3.037e-01 -1.327e-01 -2.793e-02 / + CHEB/ 1.609e+00 2.835e-01 1.079e-01 1.064e-02 / + CHEB/ 3.756e-01 2.757e-02 2.426e-02 1.299e-02 / + CHEB/ 5.927e-03 -1.509e-02 -3.965e-03 1.989e-03 / + CHEB/ -6.471e-02 -1.192e-02 -6.546e-03 -2.026e-03 / + CHEB/ -4.410e-02 -5.379e-03 -3.524e-03 -1.706e-03 / + +! Reaction index: Chemkin #1525; RMG #9137 +! PDep reaction: PDepNetwork #367 +! Flux pairs: OH(3), C2H2O3(977); [O]C#CO(1004), C2H2O3(977); +OH(3)+[O]C#CO(1004)(+M)<=>C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.045e+01 1.209e+00 -1.361e-01 -2.872e-02 / + CHEB/ 7.346e-01 2.790e-01 1.047e-01 9.014e-03 / + CHEB/ 1.298e-01 2.873e-02 2.430e-02 1.253e-02 / + CHEB/ -3.709e-02 -1.367e-02 -3.174e-03 2.232e-03 / + CHEB/ -4.241e-02 -1.166e-02 -6.211e-03 -1.758e-03 / + CHEB/ -9.591e-03 -5.807e-03 -3.637e-03 -1.636e-03 / + +! Reaction index: Chemkin #1526; RMG #9140 +! PDep reaction: PDepNetwork #367 +! Flux pairs: [O]C#CO(1004), OCHCO(63); OH(3), OH(3); +OH(3)+[O]C#CO(1004)(+M)<=>OH(3)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.669e+00 -2.913e-01 -1.276e-01 -2.704e-02 / + CHEB/ 2.759e+00 2.865e-01 1.112e-01 1.272e-02 / + CHEB/ 6.935e-01 2.243e-02 2.243e-02 1.313e-02 / + CHEB/ 9.704e-02 -1.834e-02 -5.923e-03 1.239e-03 / + CHEB/ -4.312e-02 -1.208e-02 -7.013e-03 -2.493e-03 / + CHEB/ -4.118e-02 -4.333e-03 -3.109e-03 -1.712e-03 / + +! Reaction index: Chemkin #1527; RMG #9136 +! PDep reaction: PDepNetwork #367 +! Flux pairs: OH(3), C2H2O3(1031); [O]C#CO(1004), C2H2O3(1031); +OH(3)+[O]C#CO(1004)(+M)<=>C2H2O3(1031)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.055e+01 1.513e+00 -4.514e-03 -1.970e-03 / + CHEB/ 3.314e-01 -1.070e-02 -6.204e-03 -2.613e-03 / + CHEB/ 1.349e-01 -7.632e-03 -4.363e-03 -1.783e-03 / + CHEB/ 2.242e-02 -4.734e-03 -2.644e-03 -1.027e-03 / + CHEB/ -1.803e-02 -2.553e-03 -1.372e-03 -4.850e-04 / + CHEB/ -2.091e-02 -1.150e-03 -5.717e-04 -1.610e-04 / + +! Reaction index: Chemkin #1528; RMG #6902 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1032), C2H2O3(1031); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H +H(5)+C2H3O3(1032)<=>H2(6)+C2H2O3(1031) 9.040000e+11 0.000 0.114 + +! Reaction index: Chemkin #1529; RMG #6904 +! Template reaction: CO_Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(1031); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+C2HO3(991)<=>CO(8)+C2H2O3(1031) 9.030000e+13 0.000 0.311 + +! Reaction index: Chemkin #1530; RMG #6905 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(1031); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+C2HO3(991)<=>CO2(9)+C2H2O3(1031) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1531; RMG #6906 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(1031); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+C2HO3(991)<=>CO2(9)+C2H2O3(1031) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1532; RMG #6908 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1032), C2H2O3(1031); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+C2H3O3(1032)<=>H2O(17)+C2H2O3(1031) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1533; RMG #6927 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), CO2(9); C2H3O3(1043), CH2OH(26); +C2H3O3(1043)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.047e+01 1.493e+00 -1.550e-02 -6.177e-03 / + CHEB/ -3.299e-01 3.951e-02 2.191e-02 8.432e-03 / + CHEB/ -7.341e-02 -1.526e-02 -7.983e-03 -2.670e-03 / + CHEB/ -1.698e-02 2.365e-03 9.100e-04 2.724e-05 / + CHEB/ -7.012e-03 2.378e-04 2.701e-04 2.037e-04 / + CHEB/ -2.761e-03 -6.237e-05 -4.266e-05 -1.634e-05 / + +! Reaction index: Chemkin #1534; RMG #6873 +! PDep reaction: PDepNetwork #214 +! Flux pairs: H(5), C2H3O3(1043); C2H2O3(977), C2H3O3(1043); +H(5)+C2H2O3(977)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.055e+00 7.430e-01 -7.654e-02 9.255e-04 / + CHEB/ 4.044e+00 7.910e-01 2.025e-02 -1.228e-02 / + CHEB/ 2.847e-01 8.162e-02 5.727e-02 1.885e-03 / + CHEB/ 2.071e-01 -8.152e-02 6.633e-03 7.516e-03 / + CHEB/ 1.868e-01 -3.832e-02 -1.119e-02 9.488e-04 / + CHEB/ 1.493e-01 3.744e-03 -5.177e-03 -1.464e-03 / + +! Reaction index: Chemkin #1535; RMG #6912 +! PDep reaction: PDepNetwork #214 +! Flux pairs: C2H2O3(977), C2H3O2(1042); H(5), O(16); +H(5)+C2H2O3(977)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.062e+01 -2.275e-02 -1.367e-02 -6.169e-03 / + CHEB/ 2.715e+01 2.319e-02 1.380e-02 6.105e-03 / + CHEB/ 6.766e-01 -5.739e-04 -2.092e-04 2.957e-05 / + CHEB/ 1.960e-01 -4.952e-04 -3.204e-04 -1.643e-04 / + CHEB/ 4.573e-03 -1.545e-03 -9.255e-04 -4.154e-04 / + CHEB/ -3.343e-02 -2.331e-04 -1.546e-04 -8.323e-05 / + +! Reaction index: Chemkin #1536; RMG #6913 +! PDep reaction: PDepNetwork #214 +! Flux pairs: C2H2O3(977), CO2(9); H(5), CH2OH(26); +H(5)+C2H2O3(977)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.193e+00 -7.796e-01 -7.688e-02 8.877e-04 / + CHEB/ 4.629e+00 7.897e-01 1.962e-02 -1.240e-02 / + CHEB/ 3.402e-01 8.266e-02 5.718e-02 1.763e-03 / + CHEB/ 1.995e-01 -8.054e-02 6.914e-03 7.511e-03 / + CHEB/ 1.749e-01 -3.806e-02 -1.096e-02 1.007e-03 / + CHEB/ 1.430e-01 3.745e-03 -5.092e-03 -1.420e-03 / + +! Reaction index: Chemkin #1537; RMG #7635 +! PDep reaction: PDepNetwork #317 +! Flux pairs: H(5), C2H2O3(1031); C2HO3(993), C2H2O3(1031); +H(5)+C2HO3(993)(+M)<=>C2H2O3(1031)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.189e+00 1.082e+00 -1.608e-01 -1.910e-02 / + CHEB/ 2.047e+00 4.005e-01 1.165e-01 -6.298e-03 / + CHEB/ 6.960e-01 5.179e-02 4.140e-02 1.628e-02 / + CHEB/ 1.698e-01 -1.824e-02 -2.770e-04 6.184e-03 / + CHEB/ 1.346e-02 -1.819e-02 -8.561e-03 -1.166e-03 / + CHEB/ -1.371e-02 -8.700e-03 -5.575e-03 -2.323e-03 / + +! Reaction index: Chemkin #1538; RMG #6926 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), O(16); C2H3O3(1043), C2H3O2(1042); +C2H3O3(1043)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.064e+01 1.514e+00 -4.284e-03 -2.012e-03 / + CHEB/ 3.284e+01 7.512e-03 4.592e-03 2.145e-03 / + CHEB/ -3.253e-02 -1.359e-03 -8.195e-04 -3.723e-04 / + CHEB/ -6.100e-02 5.866e-05 3.173e-05 1.098e-05 / + CHEB/ -5.192e-02 1.829e-06 1.722e-06 1.357e-06 / + CHEB/ -3.359e-02 -1.366e-06 -8.511e-07 -4.091e-07 / + +! Reaction index: Chemkin #1539; RMG #379 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), HCO(13); CH3CHO(40), CH3(7); +! Reaction library: 'NOx2018' +CH3CHO(40)(+M)<=>HCO(13)+CH3(7)(+M) 2.700e+22 -1.740 86.355 +CH4(20)/4.23/ CO2(9)/2.86/ H2O(17)/8.57/ H2(6)/2.86/ N2/1.43/ CO(8)/2.14/ + LOW/ 1.100e+59 -11.300 95.912 / + TROE/ 1.800e-01 462 1.68e+05 1.58e+06 / + +! Reaction index: Chemkin #1540; RMG #380 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), H2(6); CH3CHO(40), CH2CO(30); +CH3CHO(40)<=>H2(6)+CH2CO(30) 1.000e+00 0.000 0.000 + PLOG/ 0.050000 4.000e+44 -10.070 87.428 / + PLOG/ 0.100000 7.400e+44 -10.050 88.422 / + PLOG/ 1.000000 8.500e+44 -9.770 90.905 / + PLOG/ 10.000000 2.200e+45 -9.550 94.879 / + +! Reaction index: Chemkin #1541; RMG #381 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CO(8); CH3CHO(40), CH4(20); +CH3CHO(40)<=>CO(8)+CH4(20) 1.000e+00 0.000 0.000 + PLOG/ 0.050000 5.100e+45 -9.850 89.018 / + PLOG/ 0.100000 1.400e+45 -9.650 87.925 / + PLOG/ 1.000000 1.900e+45 -9.430 89.415 / + PLOG/ 10.000000 1.600e+45 -9.100 92.793 / + +! Reaction index: Chemkin #1542; RMG #383 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH3CO(47); H(5), H2(6); +H(5)+CH3CHO(40)<=>H2(6)+CH3CO(47) 1.300000e+05 2.580 1.219 + +! Reaction index: Chemkin #1543; RMG #384 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH2CHO(45); H(5), H2(6); +H(5)+CH3CHO(40)<=>H2(6)+CH2CHO(45) 2.700000e+03 3.100 5.203 + +! Reaction index: Chemkin #1544; RMG #385 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH3CO(47); O(16), OH(3); +O(16)+CH3CHO(40)<=>OH(3)+CH3CO(47) 5.800000e+12 0.000 1.808 + +! Reaction index: Chemkin #1545; RMG #386 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH2CHO(45); O(16), OH(3); +O(16)+CH3CHO(40)<=>OH(3)+CH2CHO(45) 9.000000e+04 2.800 5.800 + +! Reaction index: Chemkin #1546; RMG #387 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH3CO(47); OH(3), H2O(17); +OH(3)+CH3CHO(40)<=>H2O(17)+CH3CO(47) 2.800000e+12 0.000 -0.709 + +! Reaction index: Chemkin #1547; RMG #388 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH2CHO(45); OH(3), H2O(17); +OH(3)+CH3CHO(40)<=>H2O(17)+CH2CHO(45) 8.500000e+13 0.000 5.313 + +! Reaction index: Chemkin #1548; RMG #389 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH3CO(47); HO2(4), H2O2(18); +HO2(4)+CH3CHO(40)<=>H2O2(18)+CH3CO(47) 1.700000e+13 0.000 16.293 + +! Reaction index: Chemkin #1549; RMG #390 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH2CHO(45); HO2(4), H2O2(18); +HO2(4)+CH3CHO(40)<=>H2O2(18)+CH2CHO(45) 1.100000e+13 0.000 23.248 + +! Reaction index: Chemkin #1550; RMG #391 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH3CO(47); O2(2), HO2(4); +O2(2)+CH3CHO(40)<=>HO2(4)+CH3CO(47) 1.200000e+05 2.500 37.554 + +! Reaction index: Chemkin #1551; RMG #392 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH2CHO(45); O2(2), HO2(4); +O2(2)+CH3CHO(40)<=>HO2(4)+CH2CHO(45) 1.500000e+07 1.900 49.548 + +! Reaction index: Chemkin #1552; RMG #393 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH3CO(47); CH3(7), CH4(20); +CH3(7)+CH3CHO(40)<=>CH4(20)+CH3CO(47) 3.500000e-08 6.210 1.629 + +! Reaction index: Chemkin #1553; RMG #394 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH2CHO(45); CH3(7), CH4(20); +CH3(7)+CH3CHO(40)<=>CH4(20)+CH2CHO(45) 1.800000e-01 3.440 10.384 + +! Reaction index: Chemkin #1554; RMG #395 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH3CO(47); CH3O(27), CH3OH(25); +CH3O(27)+CH3CHO(40)<=>CH3OH(25)+CH3CO(47) 1.000000e+11 0.000 2.981 + +! Reaction index: Chemkin #1555; RMG #396 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH2CHO(45); CH3O(27), CH3OH(25); +CH3O(27)+CH3CHO(40)<=>CH3OH(25)+CH2CHO(45) 1.200000e+11 0.000 7.100 + +! Reaction index: Chemkin #1556; RMG #639 +! Library reaction: CurranPentane +! Flux pairs: CH3CHO(40), FA(1); OH(3), CH3(7); +OH(3)+CH3CHO(40)<=>FA(1)+CH3(7) 3.000000e+15 -1.076 0.000 + +! Reaction index: Chemkin #1557; RMG #3421 +! Library reaction: FFCM1(-) +! Flux pairs: H(5), CH3CHO(40); CH3CO(47), CH3CHO(40); +! Reaction library: 'FFCM1(-)' +H(5)+CH3CO(47)(+M)<=>CH3CHO(40)(+M) 9.600e+13 0.000 0.000 +H2(6)/2.00/ H2O(17)/6.00/ CO(8)/1.50/ CO2(9)/2.00/ CH4(20)/2.00/ CH2O(12)/2.50/ CH3OH(25)/3.00/ C2H2(34)/3.00/ C2H4(24)/3.00/ + LOW/ 3.850e+44 -8.569 5.500 / + TROE/ 1.000e+00 2.9e+03 2.9e+03 5.13e+03 / + +! Reaction index: Chemkin #1558; RMG #7456 +! PDep reaction: PDepNetwork #272 +! Flux pairs: CH3CHO(40), CH2O(12); H(5), CH3(7); +H(5)+CH3CHO(40)(+M)<=>CH2O(12)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.395e+00 -2.606e-01 -1.049e-01 -1.852e-02 / + CHEB/ 3.188e+00 3.154e-01 1.147e-01 1.164e-02 / + CHEB/ 1.264e-01 -4.134e-02 -9.537e-04 9.596e-03 / + CHEB/ 3.544e-02 -2.655e-02 -1.420e-02 -3.577e-03 / + CHEB/ 2.000e-02 8.593e-04 -1.824e-03 -2.084e-03 / + CHEB/ 1.002e-02 4.556e-03 2.230e-03 4.265e-04 / + +! Reaction index: Chemkin #1559; RMG #6943 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+CH2CHO(45)<=>FA(1)+CH3CHO(40) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1560; RMG #6944 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+CH3CO(47)<=>FA(1)+CH3CHO(40) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #1561; RMG #6945 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+CH2CHO(45)<=>FA(1)+CH3CHO(40) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #1562; RMG #6946 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+CH3CO(47)<=>FA(1)+CH3CHO(40) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #1563; RMG #6950 +! Template reaction: CO_Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_4CO->C_Ext-5C-R +HCO(13)+CH2CHO(45)<=>CO(8)+CH3CHO(40) 6.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1564; RMG #6951 +! Template reaction: CO_Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Ext-4CO-R +HCO(13)+CH3CO(47)<=>CO(8)+CH3CHO(40) 1.200000e+14 0.000 0.000 + +! Reaction index: Chemkin #1565; RMG #6952 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+CH2CHO(45)<=>CO2(9)+CH3CHO(40) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1566; RMG #6953 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+CH3CO(47)<=>CO2(9)+CH3CHO(40) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1567; RMG #6954 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+CH2CHO(45)<=>CO2(9)+CH3CHO(40) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1568; RMG #6955 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+CH3CO(47)<=>CO2(9)+CH3CHO(40) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1569; RMG #6958 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+CH2CHO(45)<=>CH2O(12)+CH3CHO(40) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1570; RMG #6959 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CH2OH(26)+CH3CO(47)<=>CH2O(12)+CH3CHO(40) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1571; RMG #6960 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+CH2CHO(45)<=>CH2O(12)+CH3CHO(40) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #1572; RMG #6961 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+CH3CO(47)<=>CH2O(12)+CH3CHO(40) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #1573; RMG #6962 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); HCCO(53), CH2CO(30); +! Estimated using average of templates [X_H;Cd_Cdd_rad/H] + [CO_pri;Cd_rad] for rate rule [CO_pri;Cd_Cdd_rad/H] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(12)+HCCO(53)<=>HCO(13)+CH2CO(30) 1.491317e+01 3.535 12.812 + +! Reaction index: Chemkin #1574; RMG #6966 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+CH2CHO(45)<=>CH2O3(1000)+CH3CHO(40) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #1575; RMG #6967 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+CH3CO(47)<=>CH2O3(1000)+CH3CHO(40) 5.430000e+14 0.000 0.000 + +! Reaction index: Chemkin #1576; RMG #6968 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+CH2CHO(45)<=>CH2O3(1000)+CH3CHO(40) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1577; RMG #6969 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+CH3CO(47)<=>CH2O3(1000)+CH3CHO(40) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1578; RMG #7680 +! PDep reaction: PDepNetwork #322 +! Flux pairs: H(5), CH3CHO(40); CH2CHO(45), CH3CHO(40); +H(5)+CH2CHO(45)(+M)<=>CH3CHO(40)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.286e+01 1.076e+00 -1.601e-01 -1.721e-02 / + CHEB/ -7.811e-01 2.540e-01 8.286e-02 1.515e-03 / + CHEB/ -4.611e-01 1.075e-01 3.596e-02 2.862e-03 / + CHEB/ -2.208e-01 2.273e-02 1.038e-02 2.928e-03 / + CHEB/ -1.027e-01 2.949e-03 2.114e-03 1.003e-03 / + CHEB/ -4.148e-02 -4.072e-03 -4.823e-04 5.164e-04 / + +! Reaction index: Chemkin #1579; RMG #4590 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), OCHCO(63); OH(3), H2O(17); +! From training reaction 692 used for O/H/OneDeC;O_pri_rad +! Exact match found for rate rule [O/H/OneDeC;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+C2H2O2(1030)<=>H2O(17)+OCHCO(63) 1.200000e+06 2.000 -0.250 + +! Reaction index: Chemkin #1580; RMG #7703 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), CH2OH(26); H(5), CO(8); +H(5)+C2H2O2(1030)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.184e+01 -7.066e-03 -3.409e-03 -1.248e-03 / + CHEB/ 1.534e+00 -1.498e-03 8.188e-05 5.487e-04 / + CHEB/ 1.688e-01 -2.582e-03 -1.977e-03 -8.853e-04 / + CHEB/ 5.291e-02 1.143e-03 -1.368e-04 -3.433e-04 / + CHEB/ 1.640e-02 1.395e-03 4.446e-04 -6.163e-05 / + CHEB/ 4.274e-03 6.459e-04 4.661e-04 1.329e-04 / + +! Reaction index: Chemkin #1581; RMG #4928 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), OCHCO(63); H(5), H2(6); +! From training reaction 690 used for O/H/OneDeC;H_rad +! Exact match found for rate rule [O/H/OneDeC;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+C2H2O2(1030)<=>H2(6)+OCHCO(63) 2.400000e+08 1.500 6.620 + +! Reaction index: Chemkin #1582; RMG #7696 +! PDep reaction: PDepNetwork #327 +! Flux pairs: H(5), C2H3O2(1042); C2H2O2(1030), C2H3O2(1042); +H(5)+C2H2O2(1030)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.629e+00 1.514e+00 -3.410e-03 -1.246e-03 / + CHEB/ 1.236e+00 -1.543e-03 8.298e-05 5.584e-04 / + CHEB/ 3.677e-01 -2.673e-03 -1.995e-03 -8.789e-04 / + CHEB/ 1.591e-01 1.089e-03 -1.641e-04 -3.466e-04 / + CHEB/ 2.305e-02 1.416e-03 4.304e-04 -7.270e-05 / + CHEB/ -2.453e-02 7.051e-04 4.741e-04 1.239e-04 / + +! Reaction index: Chemkin #1583; RMG #6996 +! PDep reaction: PDepNetwork #274 +! Flux pairs: C2H2O2(1030), OCHCHO(52); +C2H2O2(1030)(+M)<=>OCHCHO(52)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.631e+00 1.795e-01 -1.342e-02 6.240e-04 / + CHEB/ 1.421e+01 3.285e-01 -2.235e-02 8.602e-04 / + CHEB/ 9.629e-01 2.496e-01 -1.150e-02 3.910e-05 / + CHEB/ 8.477e-02 1.520e-01 -1.836e-04 -5.255e-04 / + CHEB/ -7.844e-02 6.727e-02 6.503e-03 -4.483e-04 / + CHEB/ -6.889e-02 1.336e-02 7.171e-03 5.696e-05 / + +! Reaction index: Chemkin #1584; RMG #7704 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), CH2CO(30); H(5), OH(3); +H(5)+C2H2O2(1030)(+M)<=>OH(3)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.021e+00 -6.557e-03 -3.214e-03 -1.226e-03 / + CHEB/ 2.775e+00 -3.037e-04 4.370e-04 5.507e-04 / + CHEB/ 5.429e-01 -1.242e-03 -1.511e-03 -8.444e-04 / + CHEB/ 1.565e-01 1.812e-03 2.878e-04 -2.214e-04 / + CHEB/ 4.415e-02 1.218e-03 6.182e-04 9.037e-05 / + CHEB/ 1.399e-02 1.386e-04 3.728e-04 2.152e-04 / + +! Reaction index: Chemkin #1585; RMG #7625 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), O[CH]O(970); OH(3), CO(8); +OH(3)+C2H2O2(1030)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.149e+01 -3.475e-01 -1.349e-01 -2.033e-02 / + CHEB/ 1.120e+00 3.756e-01 1.198e-01 -4.521e-04 / + CHEB/ 1.628e-01 -3.611e-02 1.221e-02 1.705e-02 / + CHEB/ 4.854e-02 -2.564e-02 -1.561e-02 -3.010e-03 / + CHEB/ 1.431e-02 -1.064e-02 -6.581e-03 -3.393e-03 / + CHEB/ 9.521e-03 3.261e-03 6.724e-04 -7.291e-04 / + +! Reaction index: Chemkin #1586; RMG #6114 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), OCHCO(63); O(16), OH(3); +! From training reaction 691 used for O/H/OneDeC;O_atom_triplet +! Exact match found for rate rule [O/H/OneDeC;O_atom_triplet] +! Euclidian distance = 0 +! family: H_Abstraction +O(16)+C2H2O2(1030)<=>OH(3)+OCHCO(63) 1.700000e+08 1.500 4.130 + +! Reaction index: Chemkin #1587; RMG #7705 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), CH3O(27); H(5), CO(8); +H(5)+C2H2O2(1030)(+M)<=>CO(8)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.905e+00 -5.875e-02 -3.235e-02 -1.264e-02 / + CHEB/ 1.285e+01 5.210e-02 2.833e-02 1.065e-02 / + CHEB/ 2.873e-01 4.708e-03 2.916e-03 1.575e-03 / + CHEB/ 9.690e-02 -3.310e-03 -1.918e-03 -8.377e-04 / + CHEB/ 3.915e-02 -2.082e-03 -1.183e-03 -5.386e-04 / + CHEB/ 1.910e-02 -5.260e-04 -2.842e-04 -1.185e-04 / + +! Reaction index: Chemkin #1588; RMG #6494 +! PDep reaction: PDepNetwork #242 +! Flux pairs: H(5), C2H2O2(1030); OCHCO(63), C2H2O2(1030); +H(5)+OCHCO(63)(+M)<=>C2H2O2(1030)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.299e+01 2.869e-01 -4.825e-02 5.842e-03 / + CHEB/ -4.082e-01 3.731e-01 -2.158e-02 -8.239e-03 / + CHEB/ -2.867e-01 1.548e-01 1.879e-02 -6.286e-03 / + CHEB/ -1.476e-01 4.484e-02 1.322e-02 2.285e-03 / + CHEB/ -6.460e-02 1.084e-02 9.313e-04 3.436e-03 / + CHEB/ -2.422e-02 4.410e-03 -2.369e-03 3.873e-04 / + +! Reaction index: Chemkin #1589; RMG #7707 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), OCHCHO(52); H(5), H(5); +H(5)+C2H2O2(1030)(+M)<=>H(5)+OCHCHO(52)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.687e+00 -6.497e-01 -1.309e-01 8.037e-03 / + CHEB/ 3.707e+00 5.822e-01 6.223e-02 -2.865e-02 / + CHEB/ 1.069e-01 1.104e-01 6.150e-02 6.266e-03 / + CHEB/ -2.585e-02 -4.151e-02 4.535e-03 9.321e-03 / + CHEB/ -1.430e-02 -2.845e-02 -8.345e-03 1.254e-03 / + CHEB/ -4.251e-03 -1.091e-02 -6.422e-03 -1.332e-03 / + +! Reaction index: Chemkin #1590; RMG #7697 +! PDep reaction: PDepNetwork #327 +! Flux pairs: H(5), OCH2CHO(510); C2H2O2(1030), OCH2CHO(510); +H(5)+C2H2O2(1030)(+M)<=>OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.226e+00 1.092e+00 -1.107e-01 -1.804e-02 / + CHEB/ 2.463e+00 7.963e-02 2.049e-02 1.684e-02 / + CHEB/ 4.242e-01 1.976e-01 -1.334e-03 -2.016e-02 / + CHEB/ -7.903e-03 8.320e-02 4.111e-02 -2.008e-03 / + CHEB/ -4.674e-02 -4.396e-02 1.293e-02 1.347e-02 / + CHEB/ -3.319e-02 -2.923e-02 -1.378e-02 1.959e-03 / + +! Reaction index: Chemkin #1591; RMG #6570 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), [O]C#CO(1004); H(5), H2(6); +! Estimated using an average for rate rule [Cd_allenic;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+C2H2O2(1030)<=>H2(6)+[O]C#CO(1004) 3.532500e+00 3.852 3.502 + +! Reaction index: Chemkin #1592; RMG #6572 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), [O]C#CO(1004); OH(3), H2O(17); +! Estimated using an average for rate rule [Cd_allenic;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+C2H2O2(1030)<=>H2O(17)+[O]C#CO(1004) 8.457500e+03 2.802 0.933 + +! Reaction index: Chemkin #1593; RMG #7624 +! PDep reaction: PDepNetwork #310 +! Flux pairs: OH(3), C2H3O3(1032); C2H2O2(1030), C2H3O3(1032); +OH(3)+C2H2O2(1030)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.048e+01 1.164e+00 -1.383e-01 -2.080e-02 / + CHEB/ 2.719e-02 3.738e-01 1.170e-01 -2.181e-03 / + CHEB/ 6.968e-02 -3.338e-02 1.326e-02 1.688e-02 / + CHEB/ 9.668e-02 -2.507e-02 -1.492e-02 -2.535e-03 / + CHEB/ 7.673e-02 -1.136e-02 -6.753e-03 -3.251e-03 / + CHEB/ 2.944e-02 2.842e-03 3.891e-04 -8.409e-04 / + +! Reaction index: Chemkin #1594; RMG #7826 +! PDep reaction: PDepNetwork #311 +! Flux pairs: C2H2O2(1030), C2H2O3(977); OH(3), H(5); +OH(3)+C2H2O2(1030)(+M)<=>H(5)+C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.003e+01 -7.438e-01 -1.275e-01 7.364e-03 / + CHEB/ 1.716e+00 6.258e-01 4.430e-02 -2.477e-02 / + CHEB/ 3.492e-01 1.355e-01 5.472e-02 -2.452e-03 / + CHEB/ 7.738e-02 -1.285e-02 1.629e-02 7.699e-03 / + CHEB/ 6.200e-03 -3.835e-02 -2.729e-03 4.680e-03 / + CHEB/ 8.393e-03 -1.740e-02 -7.297e-03 3.919e-04 / + +! Reaction index: Chemkin #1595; RMG #6986 +! PDep reaction: PDepNetwork #240 +! Flux pairs: OH(3), OCHCHO(52); HCCO(53), OCHCHO(52); +OH(3)+HCCO(53)(+M)<=>OCHCHO(52)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.274e+01 -6.447e-02 -2.692e-01 1.843e-02 / + CHEB/ -1.630e-01 8.924e-01 7.934e-02 -3.282e-02 / + CHEB/ -3.361e-01 2.539e-01 6.079e-02 1.138e-03 / + CHEB/ -2.026e-01 2.032e-02 2.112e-02 4.165e-03 / + CHEB/ -9.014e-02 -1.902e-02 7.579e-04 1.246e-03 / + CHEB/ -2.686e-02 -1.547e-02 -2.023e-03 1.047e-05 / + +! Reaction index: Chemkin #1596; RMG #9158 +! PDep reaction: PDepNetwork #371 +! Flux pairs: H(5), OCHCHO(52); [O]C#CO(1004), OCHCHO(52); +H(5)+[O]C#CO(1004)(+M)<=>OCHCHO(52)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.246e+01 6.314e-01 -2.669e-01 -1.734e-02 / + CHEB/ -5.334e-01 7.360e-01 1.773e-01 -9.945e-03 / + CHEB/ -4.859e-01 1.417e-01 5.972e-02 9.502e-03 / + CHEB/ -2.159e-01 -2.324e-02 6.778e-03 6.201e-03 / + CHEB/ -7.073e-02 -2.274e-02 -6.324e-03 1.092e-03 / + CHEB/ -5.256e-03 -1.329e-02 -5.197e-03 -2.898e-04 / + +! Reaction index: Chemkin #1597; RMG #6985 +! PDep reaction: PDepNetwork #240 +! Flux pairs: OH(3), C2H2O2(1030); HCCO(53), C2H2O2(1030); +OH(3)+HCCO(53)(+M)<=>C2H2O2(1030)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.313e+01 7.497e-01 -1.523e-01 2.276e-03 / + CHEB/ -5.652e-01 2.747e-01 5.317e-02 -9.358e-03 / + CHEB/ -2.704e-01 9.634e-02 8.460e-03 6.137e-03 / + CHEB/ -1.076e-01 2.871e-02 -9.246e-04 -1.305e-03 / + CHEB/ -3.274e-02 6.037e-03 1.738e-03 -3.466e-03 / + CHEB/ -4.300e-03 -1.681e-03 3.143e-03 -1.125e-03 / + +! Reaction index: Chemkin #1598; RMG #9159 +! PDep reaction: PDepNetwork #371 +! Flux pairs: [O]C#CO(1004), HCCO(53); H(5), OH(3); +H(5)+[O]C#CO(1004)(+M)<=>OH(3)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.280e+01 -2.994e-01 -1.089e-01 -1.896e-02 / + CHEB/ 1.080e+00 2.426e-01 8.232e-02 1.167e-02 / + CHEB/ 9.395e-02 6.067e-02 1.613e-02 2.124e-04 / + CHEB/ -2.466e-02 1.930e-03 6.656e-03 1.209e-03 / + CHEB/ -2.330e-02 -1.046e-02 6.906e-04 2.885e-03 / + CHEB/ -9.512e-03 -1.046e-02 -3.832e-03 7.562e-04 / + +! Reaction index: Chemkin #1599; RMG #9160 +! PDep reaction: PDepNetwork #371 +! Flux pairs: [O]C#CO(1004), OCHCO(63); H(5), H(5); +H(5)+[O]C#CO(1004)(+M)<=>H(5)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.352e+01 -3.340e-01 -1.109e-01 -1.625e-02 / + CHEB/ 1.103e-01 2.780e-01 8.207e-02 8.479e-03 / + CHEB/ -4.221e-02 6.527e-02 2.007e-02 9.084e-04 / + CHEB/ -4.325e-02 2.545e-04 6.863e-03 1.536e-03 / + CHEB/ -2.060e-02 -1.071e-02 2.792e-04 2.703e-03 / + CHEB/ -1.109e-02 -1.131e-02 -3.796e-03 8.751e-04 / + +! Reaction index: Chemkin #1600; RMG #9157 +! PDep reaction: PDepNetwork #371 +! Flux pairs: H(5), C2H2O2(1030); [O]C#CO(1004), C2H2O2(1030); +H(5)+[O]C#CO(1004)(+M)<=>C2H2O2(1030)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.254e+01 1.149e+00 -1.282e-01 -1.933e-02 / + CHEB/ -6.990e-01 2.295e-01 7.311e-02 8.661e-03 / + CHEB/ -3.332e-01 8.136e-02 1.579e-02 -1.614e-03 / + CHEB/ -1.114e-01 1.872e-02 8.705e-03 -1.371e-03 / + CHEB/ -1.923e-02 -2.241e-03 4.595e-03 2.203e-03 / + CHEB/ 1.185e-02 -8.847e-03 -4.832e-04 2.236e-03 / + +! Reaction index: Chemkin #1601; RMG #6999 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +H(5)+C2H3O2(1042)<=>H2(6)+C2H2O2(1030) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #1602; RMG #7001 +! Template reaction: CO_Disproportionation +! Flux pairs: OCHCO(63), C2H2O2(1030); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+OCHCO(63)<=>CO(8)+C2H2O2(1030) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #1603; RMG #7002 +! Template reaction: CO_Disproportionation +! Flux pairs: [O]C#CO(1004), C2H2O2(1030); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Ext-4CO-R +HCO(13)+[O]C#CO(1004)<=>CO(8)+C2H2O2(1030) 1.200000e+14 0.000 0.000 + +! Reaction index: Chemkin #1604; RMG #7003 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2H2O2(1030); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+OCHCO(63)<=>CO2(9)+C2H2O2(1030) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1605; RMG #7004 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2H2O2(1030); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +HOCO(10)+[O]C#CO(1004)<=>CO2(9)+C2H2O2(1030) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #1606; RMG #7005 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2H2O2(1030); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+OCHCO(63)<=>CO2(9)+C2H2O2(1030) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1607; RMG #7006 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2H2O2(1030); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+[O]C#CO(1004)<=>CO2(9)+C2H2O2(1030) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1608; RMG #7010 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OH(3)+C2H3O2(1042)<=>H2O(17)+C2H2O2(1030) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1609; RMG #7031 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1032), C2H2O3(1031); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2H3O3(1032)<=>FA(1)+C2H2O3(1031) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1610; RMG #7034 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1032), C2H2O3(1031); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_N-7R!H->C +HOCO(10)+C2H3O3(1032)<=>FA(1)+C2H2O3(1031) 2.410000e+11 0.000 0.343 + +! Reaction index: Chemkin #1611; RMG #7036 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(1031); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2HO3(991)<=>FA(1)+C2H2O3(1031) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1612; RMG #7037 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(1031); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2HO3(991)<=>FA(1)+C2H2O3(1031) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1613; RMG #7039 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+C2H3O2(1042)<=>FA(1)+C2H2O2(1030) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1614; RMG #7042 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+C2H3O2(1042)<=>FA(1)+C2H2O2(1030) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #1615; RMG #7044 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2H2O2(1030); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+OCHCO(63)<=>FA(1)+C2H2O2(1030) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1616; RMG #7045 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2H2O2(1030); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+[O]C#CO(1004)<=>FA(1)+C2H2O2(1030) 6.020000e+13 0.000 0.000 + +! Reaction index: Chemkin #1617; RMG #7046 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2H2O2(1030); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+OCHCO(63)<=>FA(1)+C2H2O2(1030) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1618; RMG #7047 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2H2O2(1030); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+[O]C#CO(1004)<=>FA(1)+C2H2O2(1030) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #1619; RMG #7049 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1032), C2H2O3(1031); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+C2H3O3(1032)<=>CH2O3(1000)+C2H2O3(1031) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1620; RMG #7051 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(1031); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2HO3(991)<=>CH2O3(1000)+C2H2O3(1031) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #1621; RMG #7052 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(1031); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+C2HO3(991)<=>CH2O3(1000)+C2H2O3(1031) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1622; RMG #7054 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+C2H3O2(1042)<=>CH2O3(1000)+C2H2O2(1030) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1623; RMG #7056 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2H2O2(1030); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+OCHCO(63)<=>CH2O3(1000)+C2H2O2(1030) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #1624; RMG #7057 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2H2O2(1030); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+[O]C#CO(1004)<=>CH2O3(1000)+C2H2O2(1030) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #1625; RMG #7058 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2H2O2(1030); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+OCHCO(63)<=>CH2O3(1000)+C2H2O2(1030) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1626; RMG #7059 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2H2O2(1030); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+[O]C#CO(1004)<=>CH2O3(1000)+C2H2O2(1030) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1627; RMG #7064 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); CH2CHO(45), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +CH2CHO(45)+OCH2CHO(510)<=>OCHCHO(52)+CH3CHO(40) 1.262218e+13 -0.199 0.000 + +! Reaction index: Chemkin #1628; RMG #7065 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); CH3CO(47), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +CH3CO(47)+OCH2CHO(510)<=>OCHCHO(52)+CH3CHO(40) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #1629; RMG #8401 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), HCO(13); C2H3O3(1032), FA(1); +C2H3O3(1032)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.335e+00 5.836e-01 -2.361e-01 -2.660e-02 / + CHEB/ 1.249e+01 7.295e-01 6.229e-02 -2.946e-02 / + CHEB/ -1.640e-01 5.819e-02 6.444e-02 1.485e-03 / + CHEB/ 4.611e-03 -1.586e-02 2.015e-02 1.632e-02 / + CHEB/ 3.920e-02 -9.687e-03 -2.804e-04 5.827e-03 / + CHEB/ 1.888e-02 7.970e-03 -1.397e-03 -1.277e-03 / + +! Reaction index: Chemkin #1630; RMG #8348 +! PDep reaction: PDepNetwork #129 +! Flux pairs: HOCH2O(38), FA(1); CO(8), HCO(13); +CO(8)+HOCH2O(38)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.943e+01 -9.941e-03 -6.058e-03 -2.816e-03 / + CHEB/ 2.445e+01 -4.804e-03 -2.922e-03 -1.346e-03 / + CHEB/ 1.256e-01 -4.801e-04 -2.795e-04 -1.199e-04 / + CHEB/ 1.610e-02 2.924e-03 1.771e-03 8.120e-04 / + CHEB/ 3.335e-04 3.289e-03 1.981e-03 8.984e-04 / + CHEB/ -8.007e-04 1.858e-03 1.114e-03 5.004e-04 / +DUPLICATE + +! Reaction index: Chemkin #1631; RMG #8295 +! PDep reaction: PDepNetwork #80 +! Flux pairs: OCHCO(63), FA(1); H2O(17), HCO(13); +H2O(17)+OCHCO(63)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.985e+00 -8.786e-02 -5.047e-02 -2.076e-02 / + CHEB/ 1.531e+01 2.728e-02 1.523e-02 5.861e-03 / + CHEB/ 1.887e-01 -1.751e-03 -4.581e-04 2.840e-04 / + CHEB/ 4.304e-02 1.994e-02 1.080e-02 3.872e-03 / + CHEB/ 1.072e-02 1.384e-02 7.584e-03 2.797e-03 / + CHEB/ 2.729e-03 6.389e-03 3.438e-03 1.219e-03 / + +! Reaction index: Chemkin #1632; RMG #8379 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), FA(1); OH(3), HCO(13); +OH(3)+OCHCHO(52)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.558e-01 -5.740e-02 -3.377e-02 -1.461e-02 / + CHEB/ 7.703e+00 1.110e-02 6.582e-03 2.883e-03 / + CHEB/ 1.088e-01 3.504e-04 3.664e-04 3.000e-04 / + CHEB/ 1.772e-02 1.438e-02 8.103e-03 3.187e-03 / + CHEB/ 3.524e-03 1.045e-02 5.871e-03 2.294e-03 / + CHEB/ 6.146e-04 4.921e-03 2.730e-03 1.039e-03 / + +! Reaction index: Chemkin #1633; RMG #8367 +! PDep reaction: PDepNetwork #213 +! Flux pairs: C2H2O3(977), FA(1); H(5), HCO(13); +H(5)+C2H2O3(977)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.250e+00 -2.038e-01 -1.044e-01 -3.339e-02 / + CHEB/ 3.153e+00 1.190e-01 5.285e-02 1.054e-02 / + CHEB/ 3.336e-02 -1.181e-02 -7.563e-04 3.607e-03 / + CHEB/ -1.396e-02 3.140e-02 1.433e-02 3.342e-03 / + CHEB/ -1.873e-02 2.117e-02 1.116e-02 3.619e-03 / + CHEB/ -1.232e-02 9.262e-03 4.783e-03 1.556e-03 / + +! Reaction index: Chemkin #1634; RMG #10055 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), FA(1); H(5), HCO(13); +H(5)+C2H2O3(1031)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.751e+00 -4.706e-01 -1.864e-01 -3.527e-02 / + CHEB/ 2.293e+00 4.785e-01 1.501e-01 3.674e-03 / + CHEB/ 2.429e-01 -4.640e-02 1.666e-02 2.014e-02 / + CHEB/ 5.603e-02 -1.525e-02 -9.693e-03 7.753e-04 / + CHEB/ 1.129e-02 3.979e-04 -1.585e-03 -2.144e-03 / + CHEB/ 8.190e-03 8.546e-03 3.362e-03 -3.351e-05 / + +! Reaction index: Chemkin #1635; RMG #8437 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), FA(1); OH(3), HCO(13); +OH(3)+C2H2O2(1030)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.816e+00 -4.184e-01 -1.775e-01 -3.878e-02 / + CHEB/ 1.416e+00 4.046e-01 1.381e-01 7.564e-03 / + CHEB/ 2.807e-01 -4.169e-02 9.880e-03 1.704e-02 / + CHEB/ 8.622e-02 -8.942e-03 -7.037e-03 -2.309e-04 / + CHEB/ 2.337e-02 1.373e-03 -1.246e-04 -1.147e-03 / + CHEB/ 1.270e-02 8.340e-03 3.552e-03 3.799e-04 / + +! Reaction index: Chemkin #1636; RMG #5582 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CH2CO(30); C2H3O(1084), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2H3O(1084)<=>FA(1)+CH2CO(30) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1637; RMG #5585 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CO(30); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+C2H3O(1084)<=>FA(1)+CH2CO(30) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1638; RMG #5590 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); C2H3O(1084), CH2CO(30); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C +H(5)+C2H3O(1084)<=>H2(6)+CH2CO(30) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1639; RMG #5600 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +OH(3)+C2H3O(1084)<=>H2O(17)+CH2CO(30) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #1640; RMG #5603 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +HO2(4)+C2H3O(1084)<=>H2O2(18)+CH2CO(30) 1.210000e+13 0.000 0.000 + +! Reaction index: Chemkin #1641; RMG #5616 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), CH2CO(30); C2H3O(1084), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+C2H3O(1084)<=>CH2O3(1000)+CH2CO(30) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1642; RMG #5629 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), CH2CO(30); C2H3O(1084), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HCO(13)+C2H3O(1084)<=>CH2O(12)+CH2CO(30) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1643; RMG #5634 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +CH3(7)+C2H3O(1084)<=>CH4(20)+CH2CO(30) 8.490000e+13 0.000 0.000 + +! Reaction index: Chemkin #1644; RMG #5681 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C +O(16)+C2H3O(1084)<=>OH(3)+CH2CO(30) 9.040000e+13 0.000 0.000 + +! Reaction index: Chemkin #1645; RMG #5714 +! PDep reaction: PDepNetwork #182 +! Flux pairs: H(5), C2H3O(1084); CH2CO(30), C2H3O(1084); +H(5)+CH2CO(30)(+M)<=>C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.934e+00 -7.301e-03 -4.353e-03 -1.938e-03 / + CHEB/ 9.082e+00 -9.968e-03 -5.904e-03 -2.594e-03 / + CHEB/ 1.243e-01 -3.212e-03 -1.866e-03 -7.880e-04 / + CHEB/ 5.993e-02 3.106e-04 1.895e-04 8.801e-05 / + CHEB/ 2.229e-02 7.544e-04 4.134e-04 1.524e-04 / + CHEB/ 1.221e-02 1.053e-04 2.415e-05 -2.215e-05 / +DUPLICATE + +! Reaction index: Chemkin #1646; RMG #5782 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +CH3O(27)+C2H3O(1084)<=>CH3OH(25)+CH2CO(30) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #1647; RMG #5785 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CO(30); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +CH2OH(26)+C2H3O(1084)<=>CH3OH(25)+CH2CO(30) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #1648; RMG #6032 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCH2O(38)+C2H3O(1084)<=>OCO(1022)+CH2CO(30) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1649; RMG #6033 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CO(30); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[CH]O(970)+C2H3O(1084)<=>OCO(1022)+CH2CO(30) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #1650; RMG #6042 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2HO3(993)+C2H3O(1084)<=>CH2CO(30)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1651; RMG #6043 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +C2HO3(991)+C2H3O(1084)<=>CH2CO(30)+C2H2O3(977) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #1652; RMG #6086 +! PDep reaction: PDepNetwork #180 +! Flux pairs: CH2CO(30), C2H3O(1084); OH(3), O(16); +OH(3)+CH2CO(30)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.430e+01 -2.530e-02 -1.501e-02 -6.612e-03 / + CHEB/ 2.971e+01 3.128e-02 1.841e-02 7.968e-03 / + CHEB/ 1.434e-01 -4.910e-03 -2.697e-03 -9.925e-04 / + CHEB/ 5.319e-02 -1.789e-03 -1.123e-03 -5.478e-04 / + CHEB/ 2.064e-02 1.404e-04 6.366e-05 9.180e-06 / + CHEB/ 7.349e-03 1.419e-04 8.918e-05 4.352e-05 / + +! Reaction index: Chemkin #1653; RMG #6110 +! PDep reaction: PDepNetwork #181 +! Flux pairs: H(5), C2H3O(1084); CH2CO(30), C2H3O(1084); +H(5)+CH2CO(30)(+M)<=>C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.031e+00 5.488e-01 -7.850e-02 3.198e-03 / + CHEB/ 2.159e+00 6.154e-01 -1.900e-02 -1.385e-02 / + CHEB/ -2.238e-01 1.756e-01 2.944e-02 -3.914e-03 / + CHEB/ -6.460e-02 1.363e-02 1.309e-02 2.559e-03 / + CHEB/ 3.857e-03 -1.262e-02 6.232e-05 1.273e-03 / + CHEB/ 1.583e-02 -6.987e-03 -1.806e-03 -1.718e-04 / +DUPLICATE + +! Reaction index: Chemkin #1654; RMG #6353 +! PDep reaction: PDepNetwork #5 +! Flux pairs: cC2H3O(61), C2H3O(1084); +cC2H3O(61)(+M)<=>C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.954e+00 2.473e+00 -1.326e-01 -2.918e-02 / + CHEB/ 9.549e+00 -6.593e-01 -3.992e-02 1.740e-02 / + CHEB/ -2.013e-01 -3.408e-01 3.540e-02 1.978e-02 / + CHEB/ -1.679e-01 -8.227e-02 6.309e-02 5.760e-03 / + CHEB/ -9.247e-02 1.995e-02 3.716e-02 -9.740e-03 / + CHEB/ -5.467e-02 3.368e-02 6.027e-03 -1.246e-02 / + +! Reaction index: Chemkin #1655; RMG #7114 +! PDep reaction: PDepNetwork #280 +! Flux pairs: C2H3O(1084), CH3CO(47); +C2H3O(1084)(+M)<=>CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.059e+01 2.907e+00 -7.519e-02 -2.933e-02 / + CHEB/ 1.481e+01 8.860e-03 5.330e-03 2.123e-03 / + CHEB/ 4.023e-01 -2.752e-02 -1.327e-02 -3.415e-03 / + CHEB/ 1.238e-01 -1.212e-02 -5.897e-03 -1.587e-03 / + CHEB/ 3.872e-02 -1.566e-03 -7.150e-04 -1.940e-04 / + CHEB/ 5.575e-03 6.701e-04 2.504e-04 -4.154e-05 / + +! Reaction index: Chemkin #1656; RMG #7118 +! PDep reaction: PDepNetwork #280 +! Flux pairs: C2H3O(1084), CO(8); C2H3O(1084), CH3(7); +C2H3O(1084)(+M)<=>CO(8)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.704e+00 1.391e+00 -7.245e-02 -2.840e-02 / + CHEB/ 1.427e+01 1.635e-02 9.217e-03 3.425e-03 / + CHEB/ 1.542e-01 -2.316e-02 -1.111e-02 -2.777e-03 / + CHEB/ -2.898e-02 -1.011e-02 -4.976e-03 -1.374e-03 / + CHEB/ -4.194e-02 -9.019e-04 -4.435e-04 -1.585e-04 / + CHEB/ -3.586e-02 8.170e-04 3.048e-04 -3.651e-05 / + +! Reaction index: Chemkin #1657; RMG #7112 +! PDep reaction: PDepNetwork #280 +! Flux pairs: C2H3O(1084), CH2CHO(45); +C2H3O(1084)(+M)<=>CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.126e+00 2.901e+00 -7.728e-02 -2.947e-02 / + CHEB/ 1.349e+01 1.160e-03 2.038e-03 1.584e-03 / + CHEB/ -3.563e-02 -2.858e-02 -1.305e-02 -2.754e-03 / + CHEB/ -4.748e-02 -8.387e-03 -3.348e-03 -2.668e-04 / + CHEB/ -8.431e-03 3.590e-03 2.253e-03 1.001e-03 / + CHEB/ 8.279e-03 4.871e-03 2.450e-03 6.781e-04 / + +! Reaction index: Chemkin #1658; RMG #6607 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), O(16); CH3CO2(73), C2H3O(1084); +CH3CO2(73)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.204e+01 1.490e+00 -1.859e-02 -8.370e-03 / + CHEB/ 4.184e+01 3.855e-02 2.299e-02 1.022e-02 / + CHEB/ -1.244e-01 -6.465e-03 -3.667e-03 -1.455e-03 / + CHEB/ 1.021e-02 -2.217e-03 -1.401e-03 -6.926e-04 / + CHEB/ 4.703e-02 5.937e-05 1.581e-05 -1.210e-05 / + CHEB/ 3.636e-02 1.763e-04 1.117e-04 5.556e-05 / + +! Reaction index: Chemkin #1659; RMG #6615 +! PDep reaction: PDepNetwork #256 +! Flux pairs: C2H3O2(1088), O(16); C2H3O2(1088), C2H3O(1084); +C2H3O2(1088)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.588e+01 1.495e+00 -1.515e-02 -6.669e-03 / + CHEB/ 4.495e+01 3.141e-02 1.848e-02 7.996e-03 / + CHEB/ -3.313e-01 -4.857e-03 -2.663e-03 -9.756e-04 / + CHEB/ -1.019e-01 -1.792e-03 -1.124e-03 -5.476e-04 / + CHEB/ -1.803e-02 1.330e-04 5.909e-05 6.976e-06 / + CHEB/ 7.431e-03 1.386e-04 8.706e-05 4.244e-05 / + +! Reaction index: Chemkin #1660; RMG #7109 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), O[CH]O(970); CHO3(986), CH2O3(1000); +! Estimated using template [C/H2/NonDeO;O_sec_rad] for rate rule [C/H2/O2;O_rad/OneDeC] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO3(986)+OCO(1022)<=>CH2O3(1000)+O[CH]O(970) 1.640000e+04 2.550 10.750 + +! Reaction index: Chemkin #1661; RMG #7123 +! PDep reaction: PDepNetwork #281 +! Flux pairs: C2H3O3(1053), CO2(9); C2H3O3(1053), CH3O(27); +C2H3O3(1053)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.793e+00 1.268e+00 -1.113e-01 -2.800e-02 / + CHEB/ 4.353e-01 2.207e-01 7.759e-02 7.051e-03 / + CHEB/ -2.277e-01 -2.132e-02 4.219e-03 7.889e-03 / + CHEB/ -8.643e-02 1.584e-03 -8.977e-04 -2.033e-04 / + CHEB/ -6.137e-03 -5.986e-03 -3.022e-03 -9.658e-04 / + CHEB/ 1.651e-02 -6.501e-03 -2.878e-03 -8.342e-04 / + +! Reaction index: Chemkin #1662; RMG #10099 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), C2H3O(1084); CH2(21), C2H3O(1084); +HCO(13)+CH2(21)(+M)<=>C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.333e+00 1.516e+00 -3.027e-03 -1.426e-03 / + CHEB/ 2.910e+00 -1.162e-05 3.686e-06 1.156e-05 / + CHEB/ 7.353e-01 -1.798e-03 -1.102e-03 -5.170e-04 / + CHEB/ 2.264e-01 -1.267e-03 -7.786e-04 -3.677e-04 / + CHEB/ 5.444e-02 -8.072e-04 -4.935e-04 -2.306e-04 / + CHEB/ 2.702e-04 -5.174e-04 -3.133e-04 -1.437e-04 / + +! Reaction index: Chemkin #1663; RMG #7645 +! PDep reaction: PDepNetwork #319 +! Flux pairs: H(5), C2H3O(1084); CHCHO(51), C2H3O(1084); +H(5)+CHCHO(51)(+M)<=>C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.141e+01 1.377e+00 -7.754e-02 -2.802e-02 / + CHEB/ -6.064e-01 8.587e-02 4.435e-02 1.432e-02 / + CHEB/ -2.608e-01 4.463e-02 2.263e-02 6.943e-03 / + CHEB/ -2.213e-02 -1.314e-02 -5.337e-03 -5.396e-04 / + CHEB/ 1.780e-02 -1.062e-02 -5.328e-03 -1.555e-03 / + CHEB/ 1.202e-02 -2.315e-03 -1.697e-03 -9.337e-04 / + +! Reaction index: Chemkin #1664; RMG #7119 +! PDep reaction: PDepNetwork #280 +! Flux pairs: C2H3O(1084), H(5); C2H3O(1084), C2H2O(1085); +C2H3O(1084)(+M)<=>H(5)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.172e+01 1.359e+00 -4.448e-02 -6.841e-03 / + CHEB/ 3.140e+01 -2.679e-01 -6.432e-02 -6.176e-03 / + CHEB/ 1.371e-02 -1.558e-01 -2.007e-02 4.331e-03 / + CHEB/ -3.015e-01 -4.712e-02 1.546e-02 9.333e-03 / + CHEB/ -2.448e-01 1.805e-02 2.712e-02 6.377e-03 / + CHEB/ -1.333e-01 3.793e-02 1.993e-02 -2.005e-05 / + +! Reaction index: Chemkin #1665; RMG #7121 +! PDep reaction: PDepNetwork #281 +! Flux pairs: C2H3O3(1053), CHO3(986); C2H3O3(1053), CH2(S)(22); +C2H3O3(1053)(+M)<=>CHO3(986)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.586e+01 1.241e+00 -1.259e-01 -3.067e-02 / + CHEB/ 3.073e+01 1.465e-01 5.574e-02 8.258e-03 / + CHEB/ -3.145e-01 3.554e-02 2.218e-02 8.208e-03 / + CHEB/ -1.993e-01 1.336e-02 8.570e-03 4.016e-03 / + CHEB/ -6.723e-02 -1.180e-02 -3.808e-03 6.314e-04 / + CHEB/ -1.113e-02 -1.259e-02 -5.551e-03 -9.827e-04 / + +! Reaction index: Chemkin #1666; RMG #7122 +! PDep reaction: PDepNetwork #281 +! Flux pairs: C2H3O3(1053), O(16); C2H3O3(1053), CH3OCO(98); +C2H3O3(1053)(+M)<=>O(16)+CH3OCO(98)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.919e+01 1.278e+00 -1.110e-01 -2.827e-02 / + CHEB/ 3.335e+01 1.239e-01 4.614e-02 6.371e-03 / + CHEB/ -2.792e-01 2.911e-02 1.870e-02 7.036e-03 / + CHEB/ -1.783e-01 9.486e-03 6.556e-03 3.443e-03 / + CHEB/ -5.418e-02 -1.076e-02 -4.305e-03 -2.384e-04 / + CHEB/ -5.356e-03 -9.676e-03 -4.828e-03 -1.388e-03 / + +! Reaction index: Chemkin #1667; RMG #7133 +! PDep reaction: PDepNetwork #214 +! Flux pairs: C2H2O3(977), CO2(9); H(5), CH3O(27); +H(5)+C2H2O3(977)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.041e+00 -1.255e-02 -7.126e-03 -3.044e-03 / + CHEB/ 1.634e+01 1.099e-02 6.263e-03 2.733e-03 / + CHEB/ 5.380e-02 -7.483e-04 -6.022e-04 -3.895e-04 / + CHEB/ 2.614e-02 -2.154e-04 -1.375e-04 -8.409e-05 / + CHEB/ 1.574e-02 -6.249e-04 -3.090e-04 -1.060e-04 / + CHEB/ 9.954e-03 8.895e-05 7.981e-05 5.964e-05 / + +! Reaction index: Chemkin #1668; RMG #7134 +! PDep reaction: PDepNetwork #214 +! Flux pairs: C2H2O3(977), OCHCO(63); H(5), H2O(17); +H(5)+C2H2O3(977)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.220e+00 -1.577e-01 -7.672e-02 -2.277e-02 / + CHEB/ 9.617e+00 1.735e-01 8.108e-02 2.057e-02 / + CHEB/ 7.858e-02 -1.868e-02 -5.033e-03 2.442e-03 / + CHEB/ 1.166e-02 -9.316e-03 -6.349e-03 -2.801e-03 / + CHEB/ 6.784e-03 -3.935e-03 -2.146e-03 -1.033e-03 / + CHEB/ 8.796e-03 3.229e-03 1.665e-03 3.493e-04 / + +! Reaction index: Chemkin #1669; RMG #7135 +! PDep reaction: PDepNetwork #214 +! Flux pairs: C2H2O3(977), C2H3O2(1088); H(5), O(16); +H(5)+C2H2O3(977)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.215e+01 -3.387e-03 -2.007e-03 -8.893e-04 / + CHEB/ 2.055e+01 2.651e-03 1.549e-03 6.710e-04 / + CHEB/ 5.975e-02 -2.661e-04 -1.661e-04 -8.379e-05 / + CHEB/ 2.505e-02 -1.200e-04 -7.182e-05 -3.193e-05 / + CHEB/ 1.096e-02 -2.423e-04 -1.391e-04 -5.786e-05 / + CHEB/ 5.758e-03 -5.077e-06 -2.775e-06 -6.398e-07 / + +! Reaction index: Chemkin #1670; RMG #7136 +! PDep reaction: PDepNetwork #214 +! Flux pairs: C2H2O3(977), HOCO(10); H(5), CH2O(12); +H(5)+C2H2O3(977)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.344e+00 -7.871e-01 -9.439e-02 5.239e-03 / + CHEB/ 4.111e+00 7.115e-01 1.775e-02 -2.062e-02 / + CHEB/ -2.376e-01 9.979e-02 5.295e-02 3.040e-04 / + CHEB/ -1.309e-01 -5.457e-02 8.227e-03 7.023e-03 / + CHEB/ -4.714e-02 -3.589e-02 -7.540e-03 1.552e-03 / + CHEB/ 7.853e-04 -8.585e-04 -4.644e-03 -9.412e-04 / + +! Reaction index: Chemkin #1671; RMG #7140 +! Template reaction: H_Abstraction +! Flux pairs: CH2(S)(22), CH(23); O(16), OH(3); +! Estimated using template [Xbirad_H;O_atom_triplet] for rate rule [CH2_singlet_H;O_atom_triplet] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +O(16)+CH2(S)(22)<=>OH(3)+CH(23) 3.400000e+08 1.500 52.074 + +! Reaction index: Chemkin #1672; RMG #120 +! Library reaction: NOx2018 +! Flux pairs: CH2(21), H2(6); CH2(21), C(33); +CH2(21)+M<=>H2(6)+C(33)+M 5.800e+12 0.500 68.500 + + +! Reaction index: Chemkin #1673; RMG #138 +! Library reaction: NOx2018 +! Flux pairs: CH(23), C(33); H(5), H2(6); +H(5)+CH(23)<=>H2(6)+C(33) 1.200000e+14 0.000 0.000 + +! Reaction index: Chemkin #1674; RMG #142 +! Library reaction: NOx2018 +! Flux pairs: CH(23), C(33); OH(3), H2O(17); +OH(3)+CH(23)<=>H2O(17)+C(33) 4.000000e+07 2.000 3.000 + +! Reaction index: Chemkin #1675; RMG #149 +! Library reaction: NOx2018 +! Flux pairs: C(33), CO(8); OH(3), H(5); +OH(3)+C(33)<=>H(5)+CO(8) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1676; RMG #150 +! Library reaction: NOx2018 +! Flux pairs: C(33), CO(8); O2(2), O(16); +O2(2)+C(33)<=>O(16)+CO(8) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1677; RMG #8707 +! PDep reaction: PDepNetwork #359 +! Flux pairs: H(5), CH(23); C(33), CH(23); +H(5)+C(33)(+M)<=>CH(23)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.105e+01 1.190e+00 -6.969e-02 1.630e-03 / + CHEB/ -5.181e-01 1.414e-01 4.254e-02 -9.844e-03 / + CHEB/ -1.005e-01 1.827e-02 -4.586e-03 -2.049e-03 / + CHEB/ -3.879e-02 6.100e-03 -3.398e-03 1.430e-03 / + CHEB/ -2.410e-02 1.149e-02 -1.261e-03 -2.743e-04 / + CHEB/ -3.903e-04 -6.473e-03 1.701e-03 7.786e-04 / + +! Reaction index: Chemkin #1678; RMG #6057 +! Template reaction: CO_Disproportionation +! Flux pairs: C(33), CH(23); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_4CO->C +C(33)+HCO(13)<=>CO(8)+CH(23) 4.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1679; RMG #6058 +! Template reaction: Disproportionation +! Flux pairs: C(33), CH(23); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +C(33)+HOCO(10)<=>CO2(9)+CH(23) 1.210000e+12 0.000 0.000 + +! Reaction index: Chemkin #1680; RMG #6059 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), CO2(9); C(33), CH(23); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +C(33)+OCHO(11)<=>CO2(9)+CH(23) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1681; RMG #7142 +! PDep reaction: PDepNetwork #282 +! Flux pairs: OH(3), HCOH(28); CH(23), HCOH(28); +OH(3)+CH(23)(+M)<=>HCOH(28)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.302e+01 7.575e-01 -1.252e-01 3.411e-05 / + CHEB/ -7.609e-01 4.705e-01 2.667e-02 -1.632e-02 / + CHEB/ -2.902e-01 8.391e-02 3.012e-02 2.435e-03 / + CHEB/ -1.180e-01 1.279e-02 7.856e-03 2.668e-03 / + CHEB/ -5.142e-02 2.166e-03 1.459e-03 7.011e-04 / + CHEB/ -2.282e-02 3.487e-04 2.786e-04 1.215e-04 / + +! Reaction index: Chemkin #1682; RMG #5760 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); O[C]1CO1(1093), C2H2O2(1070); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O +H(5)+O[C]1CO1(1093)<=>H2(6)+C2H2O2(1070) 1.151490e+09 1.378 0.000 + +! Reaction index: Chemkin #1683; RMG #5765 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); O[C]1CO1(1093), C2H2O2(1070); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +OH(3)+O[C]1CO1(1093)<=>H2O(17)+C2H2O2(1070) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #1684; RMG #6007 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), C2H2O2(1070); O[C]1CO1(1093), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+O[C]1CO1(1093)<=>FA(1)+C2H2O2(1070) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1685; RMG #6009 +! Template reaction: Disproportionation +! Flux pairs: O[C]1CO1(1093), C2H2O2(1070); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS +HOCO(10)+O[C]1CO1(1093)<=>FA(1)+C2H2O2(1070) 7.381120e+13 -0.000 0.000 + +! Reaction index: Chemkin #1686; RMG #7346 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), OH(3); O[C]1CO1(1093), CH2CO(30); +O[C]1CO1(1093)(+M)<=>OH(3)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.469e+00 3.924e-01 -6.645e-02 -1.016e-02 / + CHEB/ 4.800e+00 7.228e-01 -2.988e-02 4.158e-04 / + CHEB/ 5.464e-02 3.331e-01 9.903e-03 -1.046e-02 / + CHEB/ -1.544e-01 6.987e-02 3.290e-02 -2.715e-03 / + CHEB/ -1.347e-01 -3.324e-02 1.793e-02 4.058e-03 / + CHEB/ -7.742e-02 -3.778e-02 -1.968e-04 3.758e-03 / + +! Reaction index: Chemkin #1687; RMG #7341 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), CH3CO2(73); +O[C]1CO1(1093)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.640e+00 5.338e-01 -9.016e-02 -1.396e-02 / + CHEB/ 3.816e+00 1.064e+00 -3.344e-02 -1.270e-04 / + CHEB/ -1.209e-01 5.227e-01 -6.189e-03 -1.317e-02 / + CHEB/ -2.849e-01 1.767e-01 2.968e-02 -4.339e-03 / + CHEB/ -2.093e-01 1.353e-02 1.798e-02 3.587e-03 / + CHEB/ -1.090e-01 -2.019e-02 -9.025e-04 3.507e-03 / + +! Reaction index: Chemkin #1688; RMG #7161 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), C2H3O2(1088); +O[C]1CO1(1093)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.114e+00 1.443e+00 -1.071e-01 -2.031e-02 / + CHEB/ 1.476e+00 4.480e-01 4.647e-02 5.455e-03 / + CHEB/ -5.130e-01 2.233e-01 1.299e-03 -3.468e-03 / + CHEB/ -2.549e-01 1.160e-01 3.204e-03 -3.779e-03 / + CHEB/ -1.699e-01 5.081e-02 7.514e-03 -1.256e-03 / + CHEB/ -1.068e-01 1.463e-02 5.616e-03 5.435e-04 / + +! Reaction index: Chemkin #1689; RMG #6812 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); O[C]1CO1(1093), C2H2O2(1070); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +HO2(4)+O[C]1CO1(1093)<=>H2O2(18)+C2H2O2(1070) 1.210000e+13 0.000 0.000 + +! Reaction index: Chemkin #1690; RMG #6816 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), C2H2O2(1070); O[C]1CO1(1093), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+O[C]1CO1(1093)<=>CH2O3(1000)+C2H2O2(1070) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1691; RMG #7661 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), CH2CO(30); H(5), OH(3); +H(5)+C2H2O2(1070)(+M)<=>OH(3)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.201e+00 -5.636e-01 -1.341e-01 1.981e-03 / + CHEB/ 4.263e+00 6.213e-01 9.690e-02 -2.733e-02 / + CHEB/ 1.920e-01 -3.550e-03 5.497e-02 1.829e-02 / + CHEB/ 7.535e-03 -6.715e-02 -1.645e-02 8.688e-03 / + CHEB/ -6.803e-03 -1.972e-02 -1.702e-02 -5.219e-03 / + CHEB/ -5.963e-03 3.987e-03 -2.143e-03 -3.920e-03 / + +! Reaction index: Chemkin #1692; RMG #7655 +! PDep reaction: PDepNetwork #320 +! Flux pairs: H(5), CH3CO2(73); C2H2O2(1070), CH3CO2(73); +H(5)+C2H2O2(1070)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.743e+00 2.178e-01 -2.754e-01 1.268e-02 / + CHEB/ 3.033e+00 1.229e+00 1.427e-01 -6.085e-02 / + CHEB/ -2.243e-01 1.362e-01 1.179e-01 1.744e-02 / + CHEB/ -1.219e-01 -7.460e-02 4.259e-03 1.846e-02 / + CHEB/ -2.306e-02 -4.847e-02 -1.960e-02 3.899e-04 / + CHEB/ 1.378e-02 -1.369e-02 -9.460e-03 -3.315e-03 / + +! Reaction index: Chemkin #1693; RMG #7654 +! PDep reaction: PDepNetwork #320 +! Flux pairs: H(5), C2H3O2(1088); C2H2O2(1070), C2H3O2(1088); +H(5)+C2H2O2(1070)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.461e+00 9.197e-01 -1.396e-01 2.711e-03 / + CHEB/ 2.352e+00 6.235e-01 8.581e-02 -3.098e-02 / + CHEB/ -3.002e-01 2.356e-02 6.144e-02 1.550e-02 / + CHEB/ -1.134e-01 -5.795e-02 -8.473e-03 1.108e-02 / + CHEB/ -2.293e-02 -2.394e-02 -1.626e-02 -2.939e-03 / + CHEB/ 6.497e-03 -1.025e-03 -4.703e-03 -4.056e-03 / + +! Reaction index: Chemkin #1694; RMG #7653 +! PDep reaction: PDepNetwork #320 +! Flux pairs: H(5), O[C]1CO1(1093); C2H2O2(1070), O[C]1CO1(1093); +H(5)+C2H2O2(1070)(+M)<=>O[C]1CO1(1093)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.805e+00 1.386e+00 7.771e-03 1.127e-02 / + CHEB/ 3.998e+00 1.605e-01 -3.182e-02 -2.013e-02 / + CHEB/ 4.950e-01 -3.580e-02 1.799e-02 7.479e-04 / + CHEB/ 1.364e-01 -1.489e-02 -3.788e-03 4.150e-03 / + CHEB/ -6.011e-03 2.021e-03 -3.655e-03 -1.008e-03 / + CHEB/ -3.485e-02 2.622e-03 5.459e-04 -9.875e-04 / + +! Reaction index: Chemkin #1695; RMG #5761 +! Template reaction: Disproportionation +! Flux pairs: [O]C1CO1(1094), C2H2O2(1070); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +H(5)+[O]C1CO1(1094)<=>H2(6)+C2H2O2(1070) 5.958460e+09 0.568 0.000 + +! Reaction index: Chemkin #1696; RMG #5766 +! Template reaction: Disproportionation +! Flux pairs: [O]C1CO1(1094), C2H2O2(1070); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+[O]C1CO1(1094)<=>H2O(17)+C2H2O2(1070) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1697; RMG #6008 +! Template reaction: Disproportionation +! Flux pairs: [O]C1CO1(1094), C2H2O2(1070); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+[O]C1CO1(1094)<=>FA(1)+C2H2O2(1070) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1698; RMG #6010 +! Template reaction: Disproportionation +! Flux pairs: [O]C1CO1(1094), C2H2O2(1070); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +HOCO(10)+[O]C1CO1(1094)<=>FA(1)+C2H2O2(1070) 4.820000e+11 0.000 0.000 + +! Reaction index: Chemkin #1699; RMG #7381 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), CO(8); [O]C1CO1(1094), CH2OH(26); +[O]C1CO1(1094)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.795e+00 5.256e-01 -9.487e-02 2.026e-03 / + CHEB/ 4.292e+00 3.727e-01 5.096e-02 -1.776e-02 / + CHEB/ -3.625e-02 2.864e-02 2.369e-02 1.849e-02 / + CHEB/ -1.373e-01 1.937e-02 -3.010e-02 1.802e-02 / + CHEB/ -7.496e-02 4.838e-02 -2.510e-02 -1.937e-03 / + CHEB/ -4.448e-02 3.714e-02 -4.306e-04 -9.230e-03 / + +! Reaction index: Chemkin #1700; RMG #7378 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), CO(8); [O]C1CO1(1094), CH3O(27); +[O]C1CO1(1094)(+M)<=>CO(8)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.499e+01 1.226e+00 -6.024e-02 1.873e-02 / + CHEB/ 2.026e+01 9.812e-02 -3.373e-02 -3.573e-02 / + CHEB/ -6.287e-02 4.201e-02 1.317e-02 -6.273e-03 / + CHEB/ -9.018e-02 3.297e-03 1.045e-02 5.525e-03 / + CHEB/ -5.152e-02 -7.324e-03 2.776e-03 4.838e-03 / + CHEB/ -4.483e-02 -4.403e-03 -7.077e-04 1.492e-03 / + +! Reaction index: Chemkin #1701; RMG #7375 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), C2H3O2(1042); +[O]C1CO1(1094)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.751e+00 2.031e+00 -9.438e-02 2.587e-03 / + CHEB/ 3.896e+00 3.630e-01 5.055e-02 -1.800e-02 / + CHEB/ 1.328e-01 2.542e-02 2.806e-02 1.760e-02 / + CHEB/ -4.248e-02 1.497e-02 -2.610e-02 1.930e-02 / + CHEB/ -7.638e-02 4.572e-02 -2.484e-02 3.207e-04 / + CHEB/ -8.021e-02 3.705e-02 -1.801e-03 -7.949e-03 / + +! Reaction index: Chemkin #1702; RMG #7383 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), OH(3); [O]C1CO1(1094), CH2CO(30); +[O]C1CO1(1094)(+M)<=>OH(3)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.350e-01 6.566e-01 -9.862e-02 -2.270e-03 / + CHEB/ 6.280e+00 4.002e-01 6.040e-02 -8.670e-03 / + CHEB/ 3.639e-01 4.173e-02 -1.305e-02 2.755e-02 / + CHEB/ -3.445e-02 4.019e-02 -4.627e-02 5.171e-03 / + CHEB/ -2.634e-02 4.360e-02 -1.054e-02 -1.459e-02 / + CHEB/ -1.700e-02 1.773e-02 1.454e-02 -9.301e-03 / + +! Reaction index: Chemkin #1703; RMG #6509 +! PDep reaction: PDepNetwork #247 +! Flux pairs: H(5), [O]C1CO1(1094); OCHCHO(52), [O]C1CO1(1094); +H(5)+OCHCHO(52)(+M)<=>[O]C1CO1(1094)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.525e+00 7.044e-01 -9.510e-02 -1.003e-02 / + CHEB/ 2.658e+00 2.861e-01 7.151e-02 3.627e-03 / + CHEB/ -8.982e-02 3.942e-02 -2.552e-02 3.256e-02 / + CHEB/ -1.236e-01 3.868e-02 -4.069e-02 1.791e-03 / + CHEB/ -5.453e-02 3.851e-02 -6.360e-03 -1.310e-02 / + CHEB/ -3.278e-02 1.801e-02 1.249e-02 -7.110e-03 / + +! Reaction index: Chemkin #1704; RMG #7367 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), OCH2CHO(510); +[O]C1CO1(1094)(+M)<=>OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.384e+00 1.768e+00 -4.967e-02 -1.394e-03 / + CHEB/ 1.327e+00 3.259e-01 -1.813e-02 -9.757e-03 / + CHEB/ -2.996e-01 9.430e-02 3.091e-02 -6.462e-03 / + CHEB/ -1.211e-01 1.428e-03 2.070e-02 3.723e-03 / + CHEB/ -6.060e-02 5.420e-03 -9.637e-04 6.612e-03 / + CHEB/ -6.640e-02 2.348e-02 -7.945e-03 3.416e-03 / + +! Reaction index: Chemkin #1705; RMG #6813 +! Template reaction: Disproportionation +! Flux pairs: [O]C1CO1(1094), C2H2O2(1070); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+[O]C1CO1(1094)<=>H2O2(18)+C2H2O2(1070) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1706; RMG #6817 +! Template reaction: Disproportionation +! Flux pairs: [O]C1CO1(1094), C2H2O2(1070); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+[O]C1CO1(1094)<=>CH2O3(1000)+C2H2O2(1070) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1707; RMG #7368 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), CH2OCHO(97); +[O]C1CO1(1094)(+M)<=>CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.768e+00 1.532e+00 -3.971e-02 -7.505e-03 / + CHEB/ 1.333e-01 1.485e-01 -1.113e-02 6.602e-03 / + CHEB/ -1.088e-01 9.457e-02 -2.245e-02 1.076e-03 / + CHEB/ -6.820e-02 6.663e-02 -1.678e-02 -1.144e-03 / + CHEB/ -4.116e-02 4.292e-02 -8.592e-03 -1.660e-03 / + CHEB/ -4.248e-02 2.333e-02 -2.458e-03 -1.143e-03 / + +! Reaction index: Chemkin #1708; RMG #7377 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), CH3CO2(73); +[O]C1CO1(1094)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.370e+00 1.672e+00 -2.762e-01 9.629e-03 / + CHEB/ 1.220e+01 9.968e-01 1.036e-01 -3.570e-02 / + CHEB/ -3.618e-01 1.307e-01 5.921e-02 9.174e-03 / + CHEB/ -1.731e-01 -4.220e-02 2.921e-03 3.306e-03 / + CHEB/ -5.048e-02 -3.551e-02 -3.899e-03 -9.213e-05 / + CHEB/ -2.383e-02 -1.406e-02 -2.081e-03 1.438e-03 / + +! Reaction index: Chemkin #1709; RMG #7376 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), C2H3O2(1088); +[O]C1CO1(1094)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.890e+00 2.216e+00 -1.168e-01 1.261e-02 / + CHEB/ 1.174e+01 5.069e-01 4.212e-03 -1.136e-02 / + CHEB/ -4.216e-01 4.726e-02 9.112e-03 -9.330e-04 / + CHEB/ -1.649e-01 -2.309e-02 -3.047e-03 -5.399e-03 / + CHEB/ -5.249e-02 -1.413e-02 2.466e-03 -2.048e-03 / + CHEB/ -3.278e-02 -4.380e-03 3.620e-03 2.560e-03 / + +! Reaction index: Chemkin #1710; RMG #7369 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), O[C]1CO1(1093); +[O]C1CO1(1094)(+M)<=>O[C]1CO1(1093)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.415e+00 2.529e+00 5.236e-03 3.457e-02 / + CHEB/ 1.336e+01 2.315e-01 -1.119e-01 -3.040e-02 / + CHEB/ 3.305e-01 2.157e-02 -1.166e-02 -1.552e-02 / + CHEB/ 5.251e-02 1.186e-02 1.112e-02 -6.251e-03 / + CHEB/ -4.843e-02 3.136e-04 1.239e-02 2.734e-03 / + CHEB/ -7.626e-02 -5.375e-03 4.624e-03 5.309e-03 / + +! Reaction index: Chemkin #1711; RMG #7355 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), CO(8); O[C]1CO1(1093), CH2OH(26); +O[C]1CO1(1093)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.837e+00 9.709e-01 -1.199e-01 7.837e-03 / + CHEB/ 1.484e+01 4.795e-01 3.758e-02 -4.230e-02 / + CHEB/ 4.778e-01 5.179e-02 6.103e-02 1.795e-02 / + CHEB/ 6.652e-02 -3.126e-02 -5.088e-03 6.039e-03 / + CHEB/ -4.536e-02 -2.180e-02 -1.109e-02 -3.311e-03 / + CHEB/ -4.687e-02 -6.778e-03 -3.637e-03 -1.382e-03 / + +! Reaction index: Chemkin #1712; RMG #7201 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CO(8), C2H3O2(1088); CH2OH(26), C2H3O2(1088); +CO(8)+CH2OH(26)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.797e+01 6.881e-01 -2.343e-01 -1.925e-02 / + CHEB/ 1.976e+01 7.297e-01 1.332e-01 -2.273e-02 / + CHEB/ -3.564e-02 7.146e-02 7.234e-02 2.346e-02 / + CHEB/ -2.622e-02 -5.265e-02 -1.328e-02 3.886e-03 / + CHEB/ 1.055e-02 -2.848e-02 -1.473e-02 -4.953e-03 / + CHEB/ 2.576e-02 -6.153e-03 -3.500e-03 -1.469e-03 / + +! Reaction index: Chemkin #1713; RMG #7202 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CO(8), CH3CO2(73); CH2OH(26), CH3CO2(73); +CO(8)+CH2OH(26)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.938e+01 1.996e-01 -3.932e-01 -2.950e-02 / + CHEB/ 2.019e+01 1.205e+00 2.602e-01 -3.115e-02 / + CHEB/ -7.966e-03 1.109e-01 1.075e-01 3.677e-02 / + CHEB/ -3.316e-02 -7.662e-02 -1.815e-02 6.237e-03 / + CHEB/ 1.903e-02 -4.212e-02 -1.966e-02 -4.916e-03 / + CHEB/ 3.741e-02 -1.176e-02 -6.319e-03 -1.928e-03 / + +! Reaction index: Chemkin #1714; RMG #7203 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CH2OH(26), OCHO(11); CO(8), CH2(S)(22); +CO(8)+CH2OH(26)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.997e+01 -2.584e-01 -1.024e-01 -1.293e-02 / + CHEB/ 3.368e+01 1.418e-01 3.218e-02 -1.577e-02 / + CHEB/ 1.609e-01 3.881e-02 2.155e-02 6.102e-03 / + CHEB/ 3.119e-02 -4.126e-03 3.092e-03 4.638e-03 / + CHEB/ -7.236e-03 -1.072e-02 -3.534e-03 6.875e-04 / + CHEB/ -1.219e-02 -4.257e-03 -2.434e-03 -7.646e-04 / + +! Reaction index: Chemkin #1715; RMG #7204 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CH2OH(26), CH2CHO(45); CO(8), O-2(1040); +CO(8)+CH2OH(26)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.705e+01 -1.185e-01 -6.465e-02 -2.380e-02 / + CHEB/ 4.515e+01 1.072e-01 5.579e-02 1.816e-02 / + CHEB/ 8.162e-02 8.580e-03 6.445e-03 3.829e-03 / + CHEB/ 2.369e-02 -8.608e-03 -4.320e-03 -1.208e-03 / + CHEB/ 4.392e-03 -5.307e-03 -3.133e-03 -1.337e-03 / + CHEB/ 8.415e-04 -4.875e-04 -4.430e-04 -3.246e-04 / + +! Reaction index: Chemkin #1716; RMG #7205 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CH2OH(26), cC2H3O(61); CO(8), O(16); +CO(8)+CH2OH(26)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.303e+01 -1.507e-01 -7.910e-02 -2.663e-02 / + CHEB/ 4.252e+01 1.323e-01 6.512e-02 1.817e-02 / + CHEB/ 1.999e-01 1.494e-02 1.051e-02 5.657e-03 / + CHEB/ 6.057e-02 -9.548e-03 -4.231e-03 -6.640e-04 / + CHEB/ 1.393e-02 -6.988e-03 -3.955e-03 -1.523e-03 / + CHEB/ 3.778e-03 -9.785e-04 -8.113e-04 -5.359e-04 / + +! Reaction index: Chemkin #1717; RMG #7670 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), CH2OH(26); H(5), CO(8); +H(5)+C2H2O2(1070)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.067e+00 -4.247e-01 1.808e-03 -1.114e-02 / + CHEB/ 5.131e+00 2.220e-01 -3.938e-02 3.219e-02 / + CHEB/ 5.548e-01 1.317e-01 -1.948e-02 -2.432e-02 / + CHEB/ 3.115e-01 6.167e-02 2.139e-02 -1.512e-02 / + CHEB/ 1.827e-01 1.142e-02 2.085e-02 1.706e-03 / + CHEB/ 9.386e-02 -1.426e-02 5.087e-03 6.547e-03 / + +! Reaction index: Chemkin #1718; RMG #7207 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CH2OH(26), HOCO(10); CO(8), CH2(21); +CO(8)+CH2OH(26)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.457e+01 -2.557e-01 -1.291e-01 -4.165e-02 / + CHEB/ 2.693e+01 2.838e-01 1.368e-01 3.866e-02 / + CHEB/ 4.119e-01 -4.581e-02 -1.525e-02 1.530e-03 / + CHEB/ 1.191e-01 -1.842e-02 -1.263e-02 -6.253e-03 / + CHEB/ 3.135e-02 -1.110e-03 -9.370e-04 -1.052e-03 / + CHEB/ 1.039e-02 1.418e-03 1.109e-03 6.419e-04 / + +! Reaction index: Chemkin #1719; RMG #7208 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CH2OH(26), C2H3O(1084); CO(8), O(16); +CO(8)+CH2OH(26)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.046e+01 -4.836e-02 -2.641e-02 -1.010e-02 / + CHEB/ 3.864e+01 3.609e-02 1.962e-02 7.556e-03 / + CHEB/ 2.449e-01 2.808e-03 4.101e-04 -7.899e-04 / + CHEB/ 7.951e-02 -2.905e-04 1.427e-04 1.835e-04 / + CHEB/ 2.924e-02 -1.632e-03 -4.708e-04 1.744e-04 / + CHEB/ 1.302e-02 -5.770e-04 -3.087e-04 -6.906e-05 / + +! Reaction index: Chemkin #1720; RMG #7209 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CH2OH(26), CH3CO(47); CO(8), O(16); +CO(8)+CH2OH(26)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.925e+01 -3.007e-01 -1.582e-01 -5.468e-02 / + CHEB/ 2.933e+01 3.283e-01 1.665e-01 5.221e-02 / + CHEB/ 3.779e-01 -3.752e-02 -1.265e-02 1.602e-03 / + CHEB/ 1.247e-01 -1.798e-02 -1.157e-02 -5.489e-03 / + CHEB/ 3.623e-02 -3.205e-03 -2.053e-03 -1.248e-03 / + CHEB/ 1.177e-02 5.050e-04 3.664e-04 1.896e-04 / + +! Reaction index: Chemkin #1721; RMG #7214 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CO(8), CH2OCHO(97); CH3O(27), CH2OCHO(97); +CO(8)+CH3O(27)(+M)<=>CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.039e+01 9.036e-01 -2.038e-01 -1.348e-02 / + CHEB/ 2.411e+01 3.177e-01 4.778e-02 -3.006e-02 / + CHEB/ 7.610e-02 4.891e-02 2.431e-02 1.394e-03 / + CHEB/ 3.699e-02 -2.251e-02 8.870e-04 5.412e-03 / + CHEB/ 3.399e-02 -2.596e-02 -6.180e-03 2.541e-03 / + CHEB/ 2.107e-02 -1.086e-02 -4.270e-03 8.078e-05 / + +! Reaction index: Chemkin #1722; RMG #7352 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), CO(8); O[C]1CO1(1093), CH3O(27); +O[C]1CO1(1093)(+M)<=>CO(8)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.038e+01 1.163e+00 -9.264e-02 1.029e-02 / + CHEB/ 2.221e+01 2.378e-01 2.454e-02 -2.839e-02 / + CHEB/ 5.034e-01 1.287e-02 6.552e-03 -3.437e-03 / + CHEB/ 8.728e-02 8.011e-03 1.149e-02 5.291e-03 / + CHEB/ -3.764e-02 9.104e-04 6.415e-03 5.912e-03 / + CHEB/ -5.078e-02 3.008e-04 1.299e-03 2.077e-03 / + +! Reaction index: Chemkin #1723; RMG #7216 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CO(8), C2H3O2(1088); CH3O(27), C2H3O2(1088); +CO(8)+CH3O(27)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.557e+01 1.082e+00 -1.350e-01 -5.087e-03 / + CHEB/ 2.445e+01 2.995e-01 6.033e-02 -1.309e-02 / + CHEB/ 3.884e-02 8.049e-03 4.726e-03 -2.980e-03 / + CHEB/ 9.155e-03 -5.294e-03 4.272e-03 2.616e-03 / + CHEB/ 1.781e-02 -3.733e-03 4.036e-03 4.890e-03 / + CHEB/ 1.564e-02 -4.998e-04 1.249e-03 2.213e-03 / + +! Reaction index: Chemkin #1724; RMG #7217 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CO(8), CH3CO2(73); CH3O(27), CH3CO2(73); +CO(8)+CH3O(27)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.664e+01 8.909e-01 -2.295e-01 -3.267e-02 / + CHEB/ 2.464e+01 5.008e-01 1.526e-01 8.037e-03 / + CHEB/ 4.790e-02 1.567e-02 1.500e-02 4.897e-03 / + CHEB/ 1.021e-02 -1.574e-02 -5.019e-04 1.913e-03 / + CHEB/ 3.032e-02 -9.607e-03 3.370e-04 3.249e-03 / + CHEB/ 2.965e-02 -1.834e-03 9.489e-05 1.435e-03 / + +! Reaction index: Chemkin #1725; RMG #7218 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), OCHO(11); CO(8), CH2(S)(22); +CO(8)+CH3O(27)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.938e+01 -1.765e-01 -6.367e-02 -3.122e-03 / + CHEB/ 3.175e+01 9.683e-02 1.626e-02 -1.513e-02 / + CHEB/ 3.741e-01 3.553e-02 1.858e-02 4.327e-03 / + CHEB/ 7.164e-02 8.999e-05 4.625e-03 4.530e-03 / + CHEB/ -3.371e-03 -6.777e-03 -1.578e-03 1.231e-03 / + CHEB/ -1.175e-02 -2.869e-03 -1.638e-03 -4.333e-04 / + +! Reaction index: Chemkin #1726; RMG #7219 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), CH2CHO(45); CO(8), O-2(1040); +CO(8)+CH3O(27)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.619e+01 -5.771e-02 -2.956e-02 -9.198e-03 / + CHEB/ 4.303e+01 4.902e-02 2.299e-02 5.237e-03 / + CHEB/ 2.196e-01 9.069e-03 6.120e-03 3.156e-03 / + CHEB/ 3.358e-02 -3.906e-03 -1.600e-03 -8.458e-05 / + CHEB/ -3.296e-03 -3.092e-03 -1.767e-03 -6.910e-04 / + CHEB/ -1.571e-03 -3.417e-04 -3.255e-04 -2.437e-04 / + +! Reaction index: Chemkin #1727; RMG #7220 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), cC2H3O(61); CO(8), O(16); +CO(8)+CH3O(27)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.218e+01 -7.676e-02 -3.723e-02 -9.920e-03 / + CHEB/ 4.041e+01 6.235e-02 2.671e-02 3.956e-03 / + CHEB/ 3.464e-01 1.467e-02 9.428e-03 4.417e-03 / + CHEB/ 7.509e-02 -4.059e-03 -1.140e-03 5.326e-04 / + CHEB/ 6.768e-03 -4.344e-03 -2.329e-03 -7.605e-04 / + CHEB/ -3.972e-04 -8.545e-04 -6.894e-04 -4.372e-04 / + +! Reaction index: Chemkin #1728; RMG #7667 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), CH3O(27); H(5), CO(8); +H(5)+C2H2O2(1070)(+M)<=>CO(8)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.113e+00 -2.678e-01 -5.290e-02 1.800e-02 / + CHEB/ 1.439e+01 1.389e-01 -1.701e-02 -3.450e-02 / + CHEB/ 3.795e-01 6.618e-02 2.580e-02 -3.067e-03 / + CHEB/ 1.619e-01 1.637e-02 1.740e-02 8.036e-03 / + CHEB/ 7.992e-02 1.853e-04 6.010e-03 5.893e-03 / + CHEB/ 4.533e-02 4.848e-04 1.021e-03 1.718e-03 / + +! Reaction index: Chemkin #1729; RMG #7222 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), OCHO(11); CO(8), CH2(21); +CO(8)+CH3O(27)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.614e+01 -4.230e-01 -1.686e-01 -2.664e-02 / + CHEB/ 2.976e+01 2.969e-01 8.778e-02 -7.606e-03 / + CHEB/ 6.045e-01 4.372e-02 2.750e-02 8.824e-03 / + CHEB/ 9.934e-02 -1.881e-02 -2.113e-03 4.070e-03 / + CHEB/ -1.178e-02 -1.897e-02 -7.475e-03 -2.917e-04 / + CHEB/ -1.887e-02 -5.863e-03 -3.618e-03 -1.273e-03 / + +! Reaction index: Chemkin #1730; RMG #7223 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), HOCO(10); CO(8), CH2(21); +CO(8)+CH3O(27)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.710e+01 -3.704e-01 -1.198e-01 -7.170e-03 / + CHEB/ 2.727e+01 3.203e-01 7.862e-02 -8.954e-03 / + CHEB/ 7.585e-01 1.230e-02 1.302e-02 1.904e-03 / + CHEB/ 1.710e-01 -1.171e-04 7.144e-03 5.158e-03 / + CHEB/ 5.294e-02 -3.810e-04 3.501e-03 4.328e-03 / + CHEB/ 2.789e-02 1.050e-03 3.897e-04 7.840e-04 / + +! Reaction index: Chemkin #1731; RMG #7224 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), C2H3O(1084); CO(8), O(16); +CO(8)+CH3O(27)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.042e+01 -1.272e-01 -5.919e-02 -1.444e-02 / + CHEB/ 3.731e+01 1.162e-01 4.963e-02 8.597e-03 / + CHEB/ 5.856e-01 2.090e-02 1.293e-02 5.331e-03 / + CHEB/ 2.521e-01 -5.150e-03 -7.566e-04 1.351e-03 / + CHEB/ 1.271e-01 -6.663e-03 -3.278e-03 -7.874e-04 / + CHEB/ 5.588e-02 -2.743e-03 -1.878e-03 -9.623e-04 / + +! Reaction index: Chemkin #1732; RMG #7225 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), CH3CO(47); CO(8), O(16); +CO(8)+CH3O(27)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.071e+01 -4.368e-01 -1.755e-01 -3.248e-02 / + CHEB/ 2.886e+01 4.272e-01 1.548e-01 1.931e-02 / + CHEB/ 7.920e-01 8.001e-03 1.303e-02 6.120e-03 / + CHEB/ 2.249e-01 -9.357e-03 9.672e-04 3.209e-03 / + CHEB/ 8.935e-02 -4.761e-03 -2.774e-04 2.011e-03 / + CHEB/ 4.944e-02 -9.166e-04 -1.051e-03 -2.797e-04 / + +! Reaction index: Chemkin #1733; RMG #7319 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), C2H3O2(1042); +CH2OCHO(97)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.741e+00 8.313e-01 -1.674e-01 8.057e-03 / + CHEB/ 1.247e+01 7.933e-01 -2.065e-02 -2.457e-02 / + CHEB/ -6.202e-03 1.949e-01 2.716e-02 2.318e-03 / + CHEB/ -7.362e-02 3.445e-02 -2.119e-03 9.075e-03 / + CHEB/ -6.271e-02 2.116e-02 -8.208e-03 2.562e-04 / + CHEB/ -4.132e-02 1.975e-02 3.611e-04 -2.918e-03 / + +! Reaction index: Chemkin #1734; RMG #7343 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), C2H3O2(1042); +O[C]1CO1(1093)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.209e+01 2.491e+00 -1.186e-01 8.113e-03 / + CHEB/ 1.458e+01 4.779e-01 3.561e-02 -4.244e-02 / + CHEB/ 6.854e-01 5.469e-02 6.173e-02 1.760e-02 / + CHEB/ 1.722e-01 -2.918e-02 -3.920e-03 6.314e-03 / + CHEB/ -4.122e-02 -2.136e-02 -1.078e-02 -3.156e-03 / + CHEB/ -7.747e-02 -6.776e-03 -3.647e-03 -1.387e-03 / + +! Reaction index: Chemkin #1735; RMG #7233 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), C2H3O2(1088); +C2H3O2(1042)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.200e+01 2.207e+00 -2.336e-01 -1.906e-02 / + CHEB/ 2.171e+01 7.277e-01 1.310e-01 -2.296e-02 / + CHEB/ -9.061e-02 7.413e-02 7.292e-02 2.319e-02 / + CHEB/ -2.445e-02 -5.093e-02 -1.228e-02 4.118e-03 / + CHEB/ -1.890e-02 -2.821e-02 -1.451e-02 -4.849e-03 / + CHEB/ -1.633e-02 -6.161e-03 -3.513e-03 -1.479e-03 / + +! Reaction index: Chemkin #1736; RMG #7234 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), CH3CO2(73); +C2H3O2(1042)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.342e+01 1.716e+00 -3.930e-01 -2.918e-02 / + CHEB/ 2.215e+01 1.204e+00 2.579e-01 -3.164e-02 / + CHEB/ -6.229e-02 1.150e-01 1.087e-01 3.661e-02 / + CHEB/ -3.139e-02 -7.473e-02 -1.706e-02 6.499e-03 / + CHEB/ -1.045e-02 -4.191e-02 -1.946e-02 -4.834e-03 / + CHEB/ -4.666e-03 -1.178e-02 -6.305e-03 -1.911e-03 / + +! Reaction index: Chemkin #1737; RMG #7235 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), OCHO(11); C2H3O2(1042), CH2(S)(22); +C2H3O2(1042)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.447e+01 1.330e+00 -6.959e-02 -4.137e-03 / + CHEB/ 3.543e+01 8.542e-02 1.072e-02 -1.627e-02 / + CHEB/ -1.032e-02 3.040e-02 1.513e-02 2.694e-03 / + CHEB/ -1.511e-02 1.875e-04 4.582e-03 4.339e-03 / + CHEB/ -4.753e-02 -5.691e-03 -6.632e-04 1.709e-03 / + CHEB/ -4.968e-02 -1.847e-03 -8.088e-04 5.802e-05 / + +! Reaction index: Chemkin #1738; RMG #7236 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), O-2(1040); C2H3O2(1042), CH2CHO(45); +C2H3O2(1042)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.252e+01 1.460e+00 -3.138e-02 -9.982e-03 / + CHEB/ 4.731e+01 5.034e-02 2.375e-02 5.565e-03 / + CHEB/ 1.118e-01 8.819e-03 5.896e-03 2.990e-03 / + CHEB/ 7.175e-02 -3.585e-03 -1.409e-03 -3.501e-06 / + CHEB/ 6.649e-04 -3.053e-03 -1.723e-03 -6.532e-04 / + CHEB/ -2.756e-02 -4.269e-04 -3.672e-04 -2.533e-04 / + +! Reaction index: Chemkin #1739; RMG #7237 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), O(16); C2H3O2(1042), cC2H3O(61); +C2H3O2(1042)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.833e+01 1.440e+00 -3.950e-02 -1.082e-02 / + CHEB/ 4.456e+01 6.341e-02 2.729e-02 4.190e-03 / + CHEB/ 1.888e-01 1.476e-02 9.319e-03 4.232e-03 / + CHEB/ 9.872e-02 -3.209e-03 -6.530e-04 7.235e-04 / + CHEB/ 1.217e-02 -4.035e-03 -2.103e-03 -6.283e-04 / + CHEB/ -1.983e-02 -8.894e-04 -6.868e-04 -4.143e-04 / + +! Reaction index: Chemkin #1740; RMG #7658 +! PDep reaction: PDepNetwork #320 +! Flux pairs: H(5), C2H3O2(1042); C2H2O2(1070), C2H3O2(1042); +H(5)+C2H2O2(1070)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.831e+00 1.096e+00 2.894e-03 -1.103e-02 / + CHEB/ 4.829e+00 2.247e-01 -3.686e-02 3.322e-02 / + CHEB/ 7.428e-01 1.357e-01 -1.826e-02 -2.358e-02 / + CHEB/ 4.093e-01 6.560e-02 2.206e-02 -1.515e-02 / + CHEB/ 1.861e-01 1.432e-02 2.145e-02 1.362e-03 / + CHEB/ 6.618e-02 -1.300e-02 5.434e-03 6.309e-03 / + +! Reaction index: Chemkin #1741; RMG #7239 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), OCHO(11); C2H3O2(1042), CH2(21); +C2H3O2(1042)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.064e+01 1.062e+00 -1.817e-01 -2.802e-02 / + CHEB/ 3.306e+01 2.747e-01 7.521e-02 -1.120e-02 / + CHEB/ 1.346e-01 4.048e-02 2.346e-02 6.084e-03 / + CHEB/ 7.279e-03 -1.742e-02 -1.284e-03 4.092e-03 / + CHEB/ -5.027e-02 -1.888e-02 -6.333e-03 6.479e-04 / + CHEB/ -5.418e-02 -6.106e-03 -3.058e-03 -5.834e-04 / + +! Reaction index: Chemkin #1742; RMG #7240 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), HOCO(10); C2H3O2(1042), CH2(21); +C2H3O2(1042)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.866e+01 1.267e+00 -1.283e-01 -4.148e-02 / + CHEB/ 2.890e+01 2.877e-01 1.386e-01 3.908e-02 / + CHEB/ 3.592e-01 -4.345e-02 -1.405e-02 1.887e-03 / + CHEB/ 1.214e-01 -1.753e-02 -1.215e-02 -6.084e-03 / + CHEB/ 3.132e-03 -1.021e-03 -8.960e-04 -1.033e-03 / + CHEB/ -3.006e-02 1.195e-03 9.758e-04 5.934e-04 / + +! Reaction index: Chemkin #1743; RMG #7241 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), O(16); C2H3O2(1042), C2H3O(1084); +C2H3O2(1042)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.460e+01 1.486e+00 -2.026e-02 -8.931e-03 / + CHEB/ 4.060e+01 3.506e-02 2.060e-02 8.938e-03 / + CHEB/ 2.116e-01 -5.648e-03 -3.329e-03 -1.424e-03 / + CHEB/ 9.851e-02 -2.250e-03 -1.386e-03 -6.691e-04 / + CHEB/ 9.094e-03 -2.330e-04 -1.058e-04 -2.779e-05 / + CHEB/ -2.377e-02 1.347e-04 9.407e-05 5.698e-05 / + +! Reaction index: Chemkin #1744; RMG #7242 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), O(16); C2H3O2(1042), CH3CO(47); +C2H3O2(1042)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.335e+01 1.223e+00 -1.568e-01 -5.437e-02 / + CHEB/ 3.130e+01 3.330e-01 1.689e-01 5.292e-02 / + CHEB/ 3.245e-01 -3.585e-02 -1.155e-02 2.098e-03 / + CHEB/ 1.280e-01 -1.802e-02 -1.149e-02 -5.362e-03 / + CHEB/ 9.991e-03 -3.735e-03 -2.366e-03 -1.351e-03 / + CHEB/ -2.671e-02 -2.630e-05 3.274e-05 4.386e-05 / + +! Reaction index: Chemkin #1745; RMG #7248 +! PDep reaction: PDepNetwork #179 +! Flux pairs: OH(3), CH2OCHO(97); CH2CO(30), CH2OCHO(97); +OH(3)+CH2CO(30)(+M)<=>CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.081e+00 -4.294e-01 -1.857e-01 3.498e-03 / + CHEB/ 4.185e+00 9.381e-01 6.905e-04 -2.307e-02 / + CHEB/ 3.618e-01 2.178e-01 1.199e-02 8.795e-03 / + CHEB/ 1.441e-02 4.786e-02 -1.525e-02 2.632e-03 / + CHEB/ 1.856e-02 2.057e-02 -3.511e-03 -6.158e-03 / + CHEB/ 3.011e-02 8.098e-03 7.257e-03 -3.170e-03 / + +! Reaction index: Chemkin #1746; RMG #7249 +! PDep reaction: PDepNetwork #179 +! Flux pairs: CH2CO(30), OCHO(11); OH(3), CH2(S)(22); +OH(3)+CH2CO(30)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.957e+01 -2.295e-01 -9.179e-02 -1.307e-02 / + CHEB/ 2.498e+01 1.459e-01 4.298e-02 -5.185e-03 / + CHEB/ 6.701e-03 2.232e-02 1.205e-02 2.652e-03 / + CHEB/ -2.889e-03 -2.823e-03 2.432e-03 3.163e-03 / + CHEB/ 2.201e-03 -4.702e-03 -3.339e-04 1.692e-03 / + CHEB/ -3.333e-03 -1.189e-03 -5.187e-04 1.299e-04 / + +! Reaction index: Chemkin #1747; RMG #7250 +! PDep reaction: PDepNetwork #179 +! Flux pairs: CH2CO(30), CH2CHO(45); OH(3), O-2(1040); +OH(3)+CH2CO(30)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.714e+01 -6.658e-02 -3.488e-02 -1.161e-02 / + CHEB/ 3.669e+01 5.744e-02 2.805e-02 7.527e-03 / + CHEB/ 3.984e-02 9.166e-03 6.142e-03 3.136e-03 / + CHEB/ 7.558e-02 -4.551e-03 -1.998e-03 -2.763e-04 / + CHEB/ 6.214e-02 -3.205e-03 -1.825e-03 -7.088e-04 / + CHEB/ 2.607e-02 -3.205e-04 -3.052e-04 -2.272e-04 / + +! Reaction index: Chemkin #1748; RMG #7251 +! PDep reaction: PDepNetwork #179 +! Flux pairs: CH2CO(30), cC2H3O(61); OH(3), O(16); +OH(3)+CH2CO(30)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.300e+01 -8.999e-02 -4.506e-02 -1.337e-02 / + CHEB/ 3.396e+01 7.536e-02 3.445e-02 7.393e-03 / + CHEB/ 1.260e-01 1.434e-02 9.162e-03 4.243e-03 / + CHEB/ 1.034e-01 -4.628e-03 -1.514e-03 3.297e-04 / + CHEB/ 7.189e-02 -4.149e-03 -2.193e-03 -6.870e-04 / + CHEB/ 3.278e-02 -7.270e-04 -5.950e-04 -3.781e-04 / + +! Reaction index: Chemkin #1749; RMG #7252 +! PDep reaction: PDepNetwork #179 +! Flux pairs: CH2CO(30), OCHO(11); OH(3), CH2(21); +OH(3)+CH2CO(30)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.599e+01 -5.010e-01 -2.051e-01 -3.644e-02 / + CHEB/ 2.275e+01 3.546e-01 1.145e-01 -6.524e-04 / + CHEB/ 2.035e-01 3.037e-02 2.173e-02 8.259e-03 / + CHEB/ 1.860e-02 -2.274e-02 -5.118e-03 2.133e-03 / + CHEB/ -7.822e-03 -1.718e-02 -5.992e-03 3.877e-04 / + CHEB/ -1.117e-02 -4.555e-03 -2.385e-03 -4.262e-04 / + +! Reaction index: Chemkin #1750; RMG #7289 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), CH3CO2(73); +OCH2CHO(510)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.332e+01 1.560e+00 -3.104e-01 1.504e-03 / + CHEB/ 1.460e+01 9.853e-01 1.161e-01 -2.365e-02 / + CHEB/ -3.265e-01 1.371e-01 5.612e-02 8.196e-03 / + CHEB/ -9.302e-02 -3.076e-02 3.659e-03 2.553e-03 / + CHEB/ -3.273e-02 -3.149e-02 -1.454e-03 2.142e-04 / + CHEB/ -2.017e-02 -1.477e-02 -4.940e-04 1.683e-03 / + +! Reaction index: Chemkin #1751; RMG #7322 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), CH3CO2(73); +CH2OCHO(97)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.898e+01 1.036e+00 -4.582e-01 6.046e-03 / + CHEB/ 2.045e+01 1.376e+00 1.641e-01 -6.462e-02 / + CHEB/ -5.082e-01 1.875e-01 8.812e-02 1.275e-02 / + CHEB/ -1.604e-01 -6.768e-02 1.686e-03 8.527e-03 / + CHEB/ -4.565e-03 -6.173e-02 -1.180e-02 7.083e-04 / + CHEB/ 3.150e-02 -2.489e-02 -6.836e-03 2.424e-04 / + +! Reaction index: Chemkin #1752; RMG #7257 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), OCHO(11); CH3CO2(73), CH2(S)(22); +CH3CO2(73)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.730e+01 1.231e+00 -1.264e-01 -2.762e-02 / + CHEB/ 3.699e+01 2.063e-01 7.891e-02 1.063e-02 / + CHEB/ -3.672e-01 6.652e-03 3.624e-03 -2.535e-04 / + CHEB/ -9.012e-02 -8.294e-03 -6.915e-04 1.851e-03 / + CHEB/ 9.041e-03 -7.216e-03 -1.577e-03 1.300e-03 / + CHEB/ 1.285e-02 -2.180e-03 -9.144e-04 9.068e-05 / + +! Reaction index: Chemkin #1753; RMG #7258 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), O-2(1040); CH3CO2(73), CH2CHO(45); +CH3CO2(73)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.528e+01 1.452e+00 -3.646e-02 -1.233e-02 / + CHEB/ 4.862e+01 5.883e-02 2.894e-02 7.975e-03 / + CHEB/ -3.861e-01 8.595e-03 5.777e-03 2.952e-03 / + CHEB/ -5.146e-02 -4.557e-03 -2.005e-03 -2.839e-04 / + CHEB/ 4.811e-02 -3.132e-03 -1.773e-03 -6.790e-04 / + CHEB/ 3.586e-02 -2.828e-04 -2.788e-04 -2.119e-04 / + +! Reaction index: Chemkin #1754; RMG #7259 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), O(16); CH3CO2(73), cC2H3O(61); +CH3CO2(73)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.106e+01 1.426e+00 -4.784e-02 -1.464e-02 / + CHEB/ 4.589e+01 7.803e-02 3.615e-02 8.269e-03 / + CHEB/ -3.014e-01 1.303e-02 8.330e-03 3.831e-03 / + CHEB/ -2.649e-02 -4.714e-03 -1.574e-03 2.915e-04 / + CHEB/ 5.338e-02 -4.059e-03 -2.123e-03 -6.439e-04 / + CHEB/ 3.797e-02 -6.396e-04 -5.344e-04 -3.436e-04 / + +! Reaction index: Chemkin #1755; RMG #7261 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), O(16); CH3CO2(73), CH2CHO(45); +CH3CO2(73)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.808e+01 1.140e+00 -1.585e-01 -3.128e-02 / + CHEB/ 3.522e+01 3.290e-01 1.245e-01 1.788e-02 / + CHEB/ -1.021e-01 6.768e-03 5.950e-03 1.246e-03 / + CHEB/ 1.009e-02 -5.967e-03 1.205e-03 2.347e-03 / + CHEB/ 6.100e-02 -2.209e-03 1.493e-03 2.599e-03 / + CHEB/ 5.166e-02 2.217e-03 1.272e-03 8.698e-04 / + +! Reaction index: Chemkin #1756; RMG #7272 +! PDep reaction: PDepNetwork #247 +! Flux pairs: H(5), CH3CO2(73); OCHCHO(52), CH3CO2(73); +H(5)+OCHCHO(52)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.845e+00 2.357e-01 -3.701e-01 -2.715e-02 / + CHEB/ 9.509e+00 1.201e+00 2.495e-01 -2.940e-02 / + CHEB/ -2.510e-01 9.780e-02 1.068e-01 3.733e-02 / + CHEB/ -1.263e-01 -8.428e-02 -2.124e-02 5.791e-03 / + CHEB/ -8.977e-03 -4.053e-02 -2.005e-02 -5.626e-03 / + CHEB/ 2.761e-02 -9.102e-03 -5.334e-03 -1.933e-03 / + +! Reaction index: Chemkin #1757; RMG #7702 +! PDep reaction: PDepNetwork #327 +! Flux pairs: H(5), CH3CO2(73); C2H2O2(1030), CH3CO2(73); +H(5)+C2H2O2(1030)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.099e-01 3.458e-01 -4.116e-01 -4.412e-02 / + CHEB/ 5.855e+00 1.209e+00 3.537e-01 -6.939e-03 / + CHEB/ -1.123e-01 2.764e-03 6.241e-02 3.878e-02 / + CHEB/ -7.660e-02 -8.749e-02 -3.067e-02 1.487e-03 / + CHEB/ 1.016e-03 -3.133e-02 -1.797e-02 -6.040e-03 / + CHEB/ 2.856e-02 -4.632e-03 -3.971e-03 -2.255e-03 / + +! Reaction index: Chemkin #1758; RMG #7265 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), OCHO(11); CH3CO2(73), CH2(21); +CH3CO2(73)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.370e+01 8.663e-01 -2.867e-01 -6.524e-02 / + CHEB/ 3.481e+01 5.248e-01 2.041e-01 3.012e-02 / + CHEB/ -1.806e-01 -3.245e-03 6.455e-03 5.137e-03 / + CHEB/ -6.360e-02 -3.657e-02 -1.311e-02 -1.174e-03 / + CHEB/ 5.830e-03 -2.205e-02 -8.603e-03 -6.282e-04 / + CHEB/ 9.126e-03 -5.763e-03 -2.903e-03 -5.379e-04 / + +! Reaction index: Chemkin #1759; RMG #7269 +! PDep reaction: PDepNetwork #247 +! Flux pairs: H(5), CH2OCHO(97); OCHCHO(52), CH2OCHO(97); +H(5)+OCHCHO(52)(+M)<=>CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.023e+01 -3.706e-01 -2.004e-01 7.813e-04 / + CHEB/ 2.119e+00 7.799e-01 1.775e-02 -1.757e-02 / + CHEB/ -2.050e-01 1.871e-01 9.122e-04 1.275e-02 / + CHEB/ -1.402e-01 3.988e-02 -1.444e-02 8.137e-04 / + CHEB/ -3.762e-02 1.425e-02 -8.601e-04 -5.393e-03 / + CHEB/ 3.785e-03 6.259e-03 7.008e-03 -2.121e-03 / + +! Reaction index: Chemkin #1760; RMG #7270 +! PDep reaction: PDepNetwork #247 +! Flux pairs: H(5), O[C]1CO1(1093); OCHCHO(52), O[C]1CO1(1093); +H(5)+OCHCHO(52)(+M)<=>O[C]1CO1(1093)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.888e+00 9.980e-01 -1.017e-01 9.389e-03 / + CHEB/ 1.071e+01 4.647e-01 2.461e-02 -4.025e-02 / + CHEB/ 4.684e-01 4.894e-02 6.221e-02 1.727e-02 / + CHEB/ 9.143e-02 -3.422e-02 -5.979e-03 6.238e-03 / + CHEB/ -1.612e-02 -2.083e-02 -1.142e-02 -3.802e-03 / + CHEB/ -2.608e-02 -4.522e-03 -2.752e-03 -1.440e-03 / + +! Reaction index: Chemkin #1761; RMG #7271 +! PDep reaction: PDepNetwork #247 +! Flux pairs: H(5), C2H3O2(1088); OCHCHO(52), C2H3O2(1088); +H(5)+OCHCHO(52)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.437e+00 7.179e-01 -2.137e-01 -1.713e-02 / + CHEB/ 9.059e+00 7.213e-01 1.220e-01 -2.046e-02 / + CHEB/ -2.739e-01 6.586e-02 7.214e-02 2.283e-02 / + CHEB/ -1.172e-01 -5.692e-02 -1.455e-02 3.764e-03 / + CHEB/ -1.770e-02 -2.763e-02 -1.502e-02 -5.368e-03 / + CHEB/ 1.588e-02 -4.134e-03 -2.715e-03 -1.475e-03 / + +! Reaction index: Chemkin #1762; RMG #7273 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), OCHO(11); H(5), CH2(S)(22); +H(5)+OCHCHO(52)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.315e+01 -1.865e-01 -6.726e-02 -3.270e-03 / + CHEB/ 2.265e+01 8.557e-02 1.053e-02 -1.660e-02 / + CHEB/ -2.302e-01 3.234e-02 1.629e-02 3.200e-03 / + CHEB/ -1.173e-01 3.094e-04 4.661e-03 4.392e-03 / + CHEB/ -5.421e-02 -6.009e-03 -8.676e-04 1.626e-03 / + CHEB/ -2.194e-02 -2.294e-03 -1.082e-03 -5.896e-05 / + +! Reaction index: Chemkin #1763; RMG #7274 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), CH2CHO(45); H(5), O-2(1040); +H(5)+OCHCHO(52)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.099e+01 -5.838e-02 -2.990e-02 -9.299e-03 / + CHEB/ 3.441e+01 4.885e-02 2.286e-02 5.151e-03 / + CHEB/ -1.663e-01 9.536e-03 6.356e-03 3.224e-03 / + CHEB/ -6.552e-02 -3.568e-03 -1.397e-03 4.141e-06 / + CHEB/ -2.055e-02 -3.038e-03 -1.720e-03 -6.576e-04 / + CHEB/ -1.129e-03 -4.095e-04 -3.606e-04 -2.541e-04 / + +! Reaction index: Chemkin #1764; RMG #7275 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), cC2H3O(61); H(5), O(16); +H(5)+OCHCHO(52)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.684e+01 -7.809e-02 -3.786e-02 -1.008e-02 / + CHEB/ 3.170e+01 6.181e-02 2.632e-02 3.745e-03 / + CHEB/ -7.752e-02 1.546e-02 9.790e-03 4.486e-03 / + CHEB/ -3.559e-02 -3.333e-03 -7.187e-04 7.030e-04 / + CHEB/ -1.144e-02 -4.100e-03 -2.151e-03 -6.571e-04 / + CHEB/ 2.473e-03 -8.830e-04 -6.906e-04 -4.230e-04 / + +! Reaction index: Chemkin #1765; RMG #7669 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), OCHCHO(52); H(5), H(5); +H(5)+C2H2O2(1070)(+M)<=>H(5)+OCHCHO(52)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.112e+00 -4.116e-01 4.001e-03 -7.800e-03 / + CHEB/ 5.006e+00 2.206e-01 -4.422e-02 2.962e-02 / + CHEB/ 5.183e-01 1.289e-01 -1.470e-02 -2.506e-02 / + CHEB/ 2.632e-01 5.725e-02 2.574e-02 -1.308e-02 / + CHEB/ 1.457e-01 9.969e-03 2.192e-02 3.772e-03 / + CHEB/ 7.489e-02 -1.212e-02 4.408e-03 6.821e-03 / + +! Reaction index: Chemkin #1766; RMG #7277 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), OCHO(11); H(5), CH2(21); +H(5)+OCHCHO(52)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.387e+00 -4.522e-01 -1.785e-01 -2.704e-02 / + CHEB/ 2.030e+01 2.771e-01 7.611e-02 -1.126e-02 / + CHEB/ -7.374e-02 4.313e-02 2.504e-02 6.746e-03 / + CHEB/ -9.010e-02 -1.710e-02 -1.138e-03 4.153e-03 / + CHEB/ -5.474e-02 -1.906e-02 -6.548e-03 5.164e-04 / + CHEB/ -2.518e-02 -6.464e-03 -3.344e-03 -7.456e-04 / + +! Reaction index: Chemkin #1767; RMG #7278 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), HOCO(10); H(5), CH2(21); +H(5)+OCHCHO(52)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.785e+00 -2.513e-01 -1.252e-01 -3.967e-02 / + CHEB/ 1.617e+01 2.832e-01 1.356e-01 3.818e-02 / + CHEB/ 1.170e-01 -4.200e-02 -1.399e-02 1.617e-03 / + CHEB/ 1.601e-02 -1.625e-02 -1.149e-02 -6.018e-03 / + CHEB/ 1.559e-04 -2.844e-04 -2.826e-04 -7.516e-04 / + CHEB/ 1.599e-03 1.411e-03 1.175e-03 7.331e-04 / + +! Reaction index: Chemkin #1768; RMG #7279 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), C2H3O(1084); H(5), O(16); +H(5)+OCHCHO(52)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.349e+01 -3.286e-02 -1.915e-02 -8.216e-03 / + CHEB/ 2.781e+01 3.352e-02 1.949e-02 8.321e-03 / + CHEB/ -2.886e-02 -3.525e-03 -2.186e-03 -1.008e-03 / + CHEB/ 8.093e-03 -1.730e-03 -1.051e-03 -5.120e-04 / + CHEB/ 1.936e-02 -2.882e-04 -9.040e-05 1.471e-05 / + CHEB/ 1.647e-02 -2.185e-05 8.950e-06 2.880e-05 / + +! Reaction index: Chemkin #1769; RMG #7280 +! PDep reaction: PDepNetwork #247 +! Flux pairs: OCHCHO(52), CH3CO(47); H(5), O(16); +H(5)+OCHCHO(52)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.240e+01 -2.953e-01 -1.544e-01 -5.290e-02 / + CHEB/ 1.854e+01 3.299e-01 1.668e-01 5.209e-02 / + CHEB/ 7.985e-02 -3.395e-02 -1.100e-02 2.061e-03 / + CHEB/ 2.657e-02 -1.696e-02 -1.092e-02 -5.245e-03 / + CHEB/ 1.105e-02 -3.197e-03 -1.920e-03 -1.125e-03 / + CHEB/ 7.809e-03 1.378e-04 1.792e-04 1.485e-04 / + +! Reaction index: Chemkin #1770; RMG #7286 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), CH2OCHO(97); +OCH2CHO(510)(+M)<=>CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.621e+00 4.281e-01 -9.235e-02 2.847e-03 / + CHEB/ 4.171e+00 5.978e-01 -7.515e-02 -7.401e-03 / + CHEB/ -2.901e-01 2.313e-01 7.691e-03 -7.722e-03 / + CHEB/ -1.289e-01 4.742e-02 1.672e-02 9.918e-04 / + CHEB/ -5.888e-02 8.468e-03 3.823e-03 3.179e-03 / + CHEB/ -3.764e-02 1.292e-02 -1.256e-03 9.245e-04 / + +! Reaction index: Chemkin #1771; RMG #7342 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), OCH2CHO(510); +O[C]1CO1(1093)(+M)<=>OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.058e+01 2.459e+00 -1.820e-02 2.518e-02 / + CHEB/ 1.346e+01 2.436e-01 -8.713e-02 -1.367e-02 / + CHEB/ 3.027e-01 7.388e-03 -1.930e-02 -1.297e-02 / + CHEB/ 9.687e-02 7.706e-03 4.149e-03 -8.304e-03 / + CHEB/ -5.189e-02 3.837e-03 1.216e-02 7.337e-04 / + CHEB/ -8.596e-02 -1.795e-03 6.993e-03 4.689e-03 / + +! Reaction index: Chemkin #1772; RMG #7288 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), C2H3O2(1088); +OCH2CHO(510)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.180e+01 2.130e+00 -1.460e-01 2.401e-03 / + CHEB/ 1.416e+01 5.116e-01 2.676e-02 3.001e-03 / + CHEB/ -3.912e-01 3.976e-02 7.070e-03 2.005e-03 / + CHEB/ -9.158e-02 -2.398e-02 -5.834e-03 -5.274e-03 / + CHEB/ -3.522e-02 -1.255e-02 2.392e-03 -2.725e-03 / + CHEB/ -2.737e-02 -3.335e-03 4.639e-03 1.849e-03 / + +! Reaction index: Chemkin #1773; RMG #7290 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), OCHO(11); OCH2CHO(510), CH2(S)(22); +OCH2CHO(510)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.470e+01 1.327e+00 -7.022e-02 -3.606e-03 / + CHEB/ 2.875e+01 7.447e-02 5.355e-03 -1.771e-02 / + CHEB/ -8.488e-02 2.573e-02 1.299e-02 2.280e-03 / + CHEB/ -3.717e-02 -3.301e-03 2.985e-03 3.969e-03 / + CHEB/ -4.913e-02 -8.001e-03 -1.621e-03 1.559e-03 / + CHEB/ -5.219e-02 -3.402e-03 -1.431e-03 -1.130e-05 / + +! Reaction index: Chemkin #1774; RMG #7291 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), O-2(1040); OCH2CHO(510), CH2CHO(45); +OCH2CHO(510)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.335e+01 1.461e+00 -3.059e-02 -9.554e-03 / + CHEB/ 4.050e+01 4.743e-02 2.199e-02 4.760e-03 / + CHEB/ -5.466e-02 9.108e-03 6.068e-03 3.068e-03 / + CHEB/ -1.616e-02 -3.654e-03 -1.447e-03 -1.836e-05 / + CHEB/ -3.774e-02 -3.085e-03 -1.732e-03 -6.499e-04 / + CHEB/ -4.473e-02 -4.341e-04 -3.667e-04 -2.488e-04 / + +! Reaction index: Chemkin #1775; RMG #7292 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), O(16); OCH2CHO(510), cC2H3O(61); +OCH2CHO(510)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.905e+01 1.441e+00 -3.894e-02 -1.045e-02 / + CHEB/ 3.776e+01 5.939e-02 2.488e-02 3.124e-03 / + CHEB/ 2.777e-02 1.465e-02 9.251e-03 4.200e-03 / + CHEB/ 1.156e-02 -3.520e-03 -8.306e-04 6.493e-04 / + CHEB/ -3.058e-02 -4.186e-03 -2.171e-03 -6.412e-04 / + CHEB/ -4.353e-02 -9.302e-04 -6.992e-04 -4.094e-04 / + +! Reaction index: Chemkin #1776; RMG #7657 +! PDep reaction: PDepNetwork #320 +! Flux pairs: H(5), OCH2CHO(510); C2H2O2(1070), OCH2CHO(510); +H(5)+C2H2O2(1070)(+M)<=>OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.156e+00 1.024e+00 -8.956e-03 -1.000e-02 / + CHEB/ 3.795e+00 1.064e-01 -6.023e-02 3.973e-02 / + CHEB/ 7.444e-02 6.450e-02 -4.159e-02 -1.747e-02 / + CHEB/ 5.974e-02 3.502e-02 4.884e-03 -1.596e-02 / + CHEB/ 1.020e-02 1.502e-02 1.667e-02 -2.274e-03 / + CHEB/ -1.555e-02 4.340e-03 9.718e-03 3.791e-03 / + +! Reaction index: Chemkin #1777; RMG #7294 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), OCHO(11); OCH2CHO(510), CH2(21); +OCH2CHO(510)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.071e+01 1.053e+00 -1.846e-01 -2.784e-02 / + CHEB/ 2.633e+01 2.573e-01 6.662e-02 -1.353e-02 / + CHEB/ 4.783e-02 3.306e-02 1.978e-02 5.100e-03 / + CHEB/ -1.419e-02 -2.239e-02 -3.604e-03 3.463e-03 / + CHEB/ -4.773e-02 -2.228e-02 -7.724e-03 3.954e-04 / + CHEB/ -5.256e-02 -8.466e-03 -4.007e-03 -7.202e-04 / + +! Reaction index: Chemkin #1778; RMG #7295 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), HOCO(10); OCH2CHO(510), CH2(21); +OCH2CHO(510)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.014e+01 1.060e+00 -1.365e-01 -3.577e-03 / + CHEB/ 2.231e+01 3.192e-01 5.955e-02 -1.453e-02 / + CHEB/ 1.048e-01 6.488e-03 4.653e-03 -3.279e-03 / + CHEB/ 4.739e-02 -7.140e-03 3.820e-03 2.250e-03 / + CHEB/ -4.675e-03 -4.323e-03 4.143e-03 5.021e-03 / + CHEB/ -3.468e-02 -7.844e-04 1.241e-03 2.396e-03 / + +! Reaction index: Chemkin #1779; RMG #7296 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), O(16); OCH2CHO(510), C2H3O(1084); +OCH2CHO(510)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.688e+01 1.386e+00 -6.253e-02 -1.531e-02 / + CHEB/ 3.439e+01 1.123e-01 4.712e-02 7.442e-03 / + CHEB/ 1.389e-01 2.283e-02 1.354e-02 5.203e-03 / + CHEB/ 1.355e-01 -2.041e-03 9.469e-04 1.946e-03 / + CHEB/ 7.471e-02 -4.519e-03 -1.914e-03 -1.378e-04 / + CHEB/ 1.688e-02 -1.727e-03 -1.212e-03 -6.154e-04 / + +! Reaction index: Chemkin #1780; RMG #7297 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), O(16); OCH2CHO(510), CH3CO(47); +OCH2CHO(510)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.509e+01 1.020e+00 -1.977e-01 -3.475e-02 / + CHEB/ 2.480e+01 4.188e-01 1.445e-01 1.470e-02 / + CHEB/ 9.241e-02 1.771e-02 1.402e-02 4.456e-03 / + CHEB/ 6.751e-02 -6.870e-03 2.348e-03 2.998e-03 / + CHEB/ 1.597e-02 -4.605e-03 1.334e-03 3.082e-03 / + CHEB/ -1.799e-02 7.334e-04 6.705e-04 9.568e-04 / + +! Reaction index: Chemkin #1781; RMG #7321 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), C2H3O2(1088); +CH2OCHO(97)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.750e+01 1.575e+00 -3.029e-01 8.115e-03 / + CHEB/ 1.999e+01 8.845e-01 6.274e-02 -4.222e-02 / + CHEB/ -5.625e-01 1.065e-01 4.090e-02 2.907e-03 / + CHEB/ -1.519e-01 -4.903e-02 -2.540e-03 1.196e-03 / + CHEB/ -7.680e-03 -4.255e-02 -5.887e-03 -5.116e-04 / + CHEB/ 2.197e-02 -1.661e-02 -2.130e-03 1.233e-03 / + +! Reaction index: Chemkin #1782; RMG #7306 +! PDep reaction: PDepNetwork #256 +! Flux pairs: C2H3O2(1088), OCHO(11); C2H3O2(1088), CH2(S)(22); +C2H3O2(1088)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.106e+01 1.271e+00 -1.031e-01 -1.747e-02 / + CHEB/ 4.008e+01 1.560e-01 4.972e-02 -1.553e-03 / + CHEB/ -5.665e-01 1.168e-02 6.241e-03 5.398e-04 / + CHEB/ -1.976e-01 -5.545e-03 1.112e-03 2.782e-03 / + CHEB/ -5.388e-02 -6.602e-03 -1.120e-03 1.575e-03 / + CHEB/ -1.529e-02 -2.489e-03 -1.055e-03 5.902e-05 / + +! Reaction index: Chemkin #1783; RMG #7307 +! PDep reaction: PDepNetwork #256 +! Flux pairs: C2H3O2(1088), O-2(1040); C2H3O2(1088), CH2CHO(45); +C2H3O2(1088)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.918e+01 1.452e+00 -3.623e-02 -1.219e-02 / + CHEB/ 5.174e+01 5.793e-02 2.835e-02 7.671e-03 / + CHEB/ -5.873e-01 8.906e-03 5.967e-03 3.041e-03 / + CHEB/ -1.609e-01 -4.447e-03 -1.935e-03 -2.482e-04 / + CHEB/ -1.578e-02 -3.113e-03 -1.759e-03 -6.710e-04 / + CHEB/ 7.427e-03 -2.892e-04 -2.819e-04 -2.127e-04 / + +! Reaction index: Chemkin #1784; RMG #7308 +! PDep reaction: PDepNetwork #256 +! Flux pairs: C2H3O2(1088), O(16); C2H3O2(1088), cC2H3O(61); +C2H3O2(1088)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.493e+01 1.427e+00 -4.717e-02 -1.425e-02 / + CHEB/ 4.900e+01 7.594e-02 3.482e-02 7.589e-03 / + CHEB/ -5.053e-01 1.355e-02 8.648e-03 3.983e-03 / + CHEB/ -1.371e-01 -4.552e-03 -1.470e-03 3.443e-04 / + CHEB/ -1.108e-02 -4.028e-03 -2.101e-03 -6.310e-04 / + CHEB/ 9.221e-03 -6.470e-04 -5.372e-04 -3.435e-04 / + +! Reaction index: Chemkin #1785; RMG #7310 +! PDep reaction: PDepNetwork #256 +! Flux pairs: C2H3O2(1088), O(16); C2H3O2(1088), CH2CHO(45); +C2H3O2(1088)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.180e+01 1.227e+00 -1.112e-01 -1.376e-02 / + CHEB/ 3.824e+01 2.178e-01 6.529e-02 -2.619e-03 / + CHEB/ -3.063e-01 1.910e-02 1.071e-02 1.347e-03 / + CHEB/ -9.990e-02 1.951e-03 6.054e-03 4.523e-03 / + CHEB/ -5.263e-03 -9.639e-04 2.479e-03 3.238e-03 / + CHEB/ 2.048e-02 1.307e-03 8.225e-04 7.494e-04 / + +! Reaction index: Chemkin #1786; RMG #7701 +! PDep reaction: PDepNetwork #327 +! Flux pairs: H(5), C2H3O2(1088); C2H2O2(1030), C2H3O2(1088); +H(5)+C2H2O2(1030)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.440e+00 7.537e-01 -2.760e-01 -3.373e-02 / + CHEB/ 5.462e+00 8.002e-01 2.416e-01 -7.448e-04 / + CHEB/ -1.317e-01 -2.002e-02 3.466e-02 2.671e-02 / + CHEB/ -6.874e-02 -6.460e-02 -2.665e-02 -1.824e-03 / + CHEB/ -6.901e-03 -1.887e-02 -1.243e-02 -5.479e-03 / + CHEB/ 1.680e-02 -4.283e-04 -1.080e-03 -1.159e-03 / + +! Reaction index: Chemkin #1787; RMG #7314 +! PDep reaction: PDepNetwork #256 +! Flux pairs: C2H3O2(1088), OCHO(11); C2H3O2(1088), CH2(21); +C2H3O2(1088)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.738e+01 9.747e-01 -2.296e-01 -4.566e-02 / + CHEB/ 3.783e+01 3.885e-01 1.344e-01 8.075e-03 / + CHEB/ -3.773e-01 8.680e-03 1.005e-02 4.170e-03 / + CHEB/ -1.668e-01 -2.658e-02 -7.211e-03 1.283e-03 / + CHEB/ -5.574e-02 -2.004e-02 -7.118e-03 2.548e-04 / + CHEB/ -1.899e-02 -6.861e-03 -3.399e-03 -6.288e-04 / + +! Reaction index: Chemkin #1788; RMG #7344 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), CH2OCHO(97); +O[C]1CO1(1093)(+M)<=>CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.401e+00 1.909e+00 -1.762e-01 2.919e-02 / + CHEB/ 1.339e+01 6.345e-01 -4.439e-02 -6.026e-02 / + CHEB/ 1.982e-01 8.573e-02 2.395e-02 -9.257e-03 / + CHEB/ 4.899e-02 -1.632e-02 1.091e-02 1.064e-03 / + CHEB/ -2.493e-02 -2.926e-02 2.329e-03 3.377e-03 / + CHEB/ -3.941e-02 -1.697e-02 -1.860e-03 3.050e-03 / + +! Reaction index: Chemkin #1789; RMG #7323 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), OCHO(11); CH2OCHO(97), CH2(S)(22); +CH2OCHO(97)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.952e+01 1.151e+00 -1.620e-01 -3.413e-02 / + CHEB/ 3.416e+01 2.120e-01 7.066e-02 -1.416e-03 / + CHEB/ -3.784e-01 2.702e-02 1.684e-02 5.970e-03 / + CHEB/ -1.114e-01 -1.857e-02 -4.550e-03 1.974e-03 / + CHEB/ -1.539e-02 -1.790e-02 -7.205e-03 -5.905e-04 / + CHEB/ -4.043e-04 -6.273e-03 -3.224e-03 -8.663e-04 / + +! Reaction index: Chemkin #1790; RMG #7324 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), O-2(1040); CH2OCHO(97), CH2CHO(45); +CH2OCHO(97)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.797e+01 1.397e+00 -6.777e-02 -2.512e-02 / + CHEB/ 4.582e+01 1.064e-01 5.531e-02 1.792e-02 / + CHEB/ -3.633e-01 8.208e-03 6.150e-03 3.634e-03 / + CHEB/ -8.164e-02 -8.889e-03 -4.485e-03 -1.283e-03 / + CHEB/ 7.614e-03 -5.660e-03 -3.314e-03 -1.392e-03 / + CHEB/ 1.495e-02 -7.301e-04 -5.749e-04 -3.710e-04 / + +! Reaction index: Chemkin #1791; RMG #7325 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), O(16); CH2OCHO(97), cC2H3O(61); +CH2OCHO(97)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.370e+01 1.360e+00 -8.487e-02 -2.901e-02 / + CHEB/ 4.310e+01 1.327e-01 6.531e-02 1.826e-02 / + CHEB/ -2.830e-01 1.425e-02 9.948e-03 5.282e-03 / + CHEB/ -5.835e-02 -9.973e-03 -4.491e-03 -7.943e-04 / + CHEB/ 1.231e-02 -7.411e-03 -4.143e-03 -1.557e-03 / + CHEB/ 1.578e-02 -1.240e-03 -9.339e-04 -5.599e-04 / + +! Reaction index: Chemkin #1792; RMG #7659 +! PDep reaction: PDepNetwork #320 +! Flux pairs: H(5), CH2OCHO(97); C2H2O2(1070), CH2OCHO(97); +H(5)+C2H2O2(1070)(+M)<=>CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.164e+00 4.487e-01 -1.296e-01 1.365e-02 / + CHEB/ 3.860e+00 5.021e-01 -7.115e-02 -2.377e-02 / + CHEB/ 7.473e-03 1.812e-01 1.409e-02 -2.037e-02 / + CHEB/ 3.092e-02 2.581e-02 2.409e-02 -4.176e-03 / + CHEB/ 4.528e-02 -1.754e-02 1.132e-02 3.689e-03 / + CHEB/ 3.466e-02 -1.330e-02 1.004e-03 3.586e-03 / + +! Reaction index: Chemkin #1793; RMG #7328 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), O(16); CH2OCHO(97), CH2CHO(45); +CH2OCHO(97)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.015e+01 1.088e+00 -1.753e-01 -2.909e-02 / + CHEB/ 3.215e+01 2.619e-01 7.523e-02 -9.050e-03 / + CHEB/ -2.130e-01 3.655e-02 2.210e-02 6.533e-03 / + CHEB/ -6.588e-02 -1.960e-02 -3.033e-03 3.376e-03 / + CHEB/ -3.713e-03 -1.992e-02 -7.396e-03 -1.507e-05 / + CHEB/ 6.433e-03 -6.996e-03 -3.665e-03 -9.317e-04 / + +! Reaction index: Chemkin #1794; RMG #7699 +! PDep reaction: PDepNetwork #327 +! Flux pairs: H(5), CH2OCHO(97); C2H2O2(1030), CH2OCHO(97); +H(5)+C2H2O2(1030)(+M)<=>CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.817e+00 1.404e-02 -2.374e-01 -4.542e-05 / + CHEB/ 2.720e+00 5.727e-01 -5.855e-02 -2.866e-03 / + CHEB/ 2.233e-01 3.295e-01 2.637e-02 -3.848e-02 / + CHEB/ -1.178e-01 5.862e-02 5.847e-02 1.917e-03 / + CHEB/ -4.021e-02 -7.448e-02 8.689e-03 1.666e-02 / + CHEB/ 1.062e-02 -3.650e-02 -1.476e-02 8.793e-04 / + +! Reaction index: Chemkin #1795; RMG #7332 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), HOCO(10); CH2OCHO(97), CH2(21); +CH2OCHO(97)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.523e+01 7.498e-01 -2.741e-01 -3.387e-02 / + CHEB/ 2.788e+01 5.662e-01 1.490e-01 -1.027e-02 / + CHEB/ -1.666e-01 1.320e-02 1.703e-02 4.978e-03 / + CHEB/ -4.066e-02 -3.739e-02 -7.904e-03 1.729e-03 / + CHEB/ 1.260e-02 -2.597e-02 -7.106e-03 1.766e-03 / + CHEB/ 5.614e-03 -9.147e-03 -3.914e-03 1.497e-04 / + +! Reaction index: Chemkin #1796; RMG #7333 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), O(16); CH2OCHO(97), C2H3O(1084); +CH2OCHO(97)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.172e+01 1.269e+00 -1.274e-01 -3.981e-02 / + CHEB/ 3.952e+01 2.034e-01 9.456e-02 2.287e-02 / + CHEB/ -3.672e-01 1.690e-02 1.192e-02 5.958e-03 / + CHEB/ -8.597e-02 -1.379e-02 -5.481e-03 -3.754e-04 / + CHEB/ 1.377e-02 -1.004e-02 -5.159e-03 -1.526e-03 / + CHEB/ 1.309e-02 -1.979e-03 -1.408e-03 -7.461e-04 / + +! Reaction index: Chemkin #1797; RMG #7334 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), O(16); CH2OCHO(97), CH3CO(47); +CH2OCHO(97)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.007e+01 7.744e-01 -3.149e-01 -6.624e-02 / + CHEB/ 3.026e+01 6.136e-01 2.251e-01 2.650e-02 / + CHEB/ -2.284e-01 1.280e-02 1.793e-02 9.726e-03 / + CHEB/ -5.045e-02 -3.619e-02 -1.100e-02 3.740e-04 / + CHEB/ 1.103e-02 -2.394e-02 -9.050e-03 -4.142e-04 / + CHEB/ 4.551e-03 -6.975e-03 -3.783e-03 -8.730e-04 / + +! Reaction index: Chemkin #1798; RMG #7345 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), HOCO(10); O[C]1CO1(1093), CH2(21); +O[C]1CO1(1093)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.205e+01 1.348e+00 -8.392e-02 -2.403e-02 / + CHEB/ 1.887e+01 2.066e-01 9.347e-02 2.107e-02 / + CHEB/ -1.212e-01 -4.055e-02 -1.150e-02 2.873e-03 / + CHEB/ -9.283e-02 -1.297e-02 -9.358e-03 -4.553e-03 / + CHEB/ -1.001e-01 9.725e-04 -1.561e-04 -7.986e-04 / + CHEB/ -7.852e-02 1.605e-03 1.097e-03 5.418e-04 / + +! Reaction index: Chemkin #1799; RMG #7347 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), O(16); O[C]1CO1(1093), C2H3O(1084); +O[C]1CO1(1093)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.964e+01 1.494e+00 -1.588e-02 -7.021e-03 / + CHEB/ 3.115e+01 3.044e-02 1.789e-02 7.717e-03 / + CHEB/ -8.155e-02 -5.386e-03 -2.990e-03 -1.132e-03 / + CHEB/ -6.340e-02 -1.940e-03 -1.215e-03 -5.905e-04 / + CHEB/ -8.169e-02 2.092e-04 1.064e-04 2.978e-05 / + CHEB/ -6.867e-02 2.954e-04 1.837e-04 8.831e-05 / + +! Reaction index: Chemkin #1800; RMG #7348 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), O(16); O[C]1CO1(1093), CH3CO(47); +O[C]1CO1(1093)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.731e+01 1.253e+00 -1.396e-01 -4.660e-02 / + CHEB/ 2.145e+01 2.986e-01 1.481e-01 4.304e-02 / + CHEB/ -1.174e-01 -3.139e-02 -8.077e-03 3.905e-03 / + CHEB/ -8.189e-02 -1.506e-02 -9.584e-03 -4.263e-03 / + CHEB/ -9.462e-02 -2.980e-03 -2.120e-03 -1.275e-03 / + CHEB/ -7.593e-02 -2.956e-04 -1.868e-04 -1.067e-04 / + +! Reaction index: Chemkin #1801; RMG #7349 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), OCHO(11); O[C]1CO1(1093), CH2(S)(22); +O[C]1CO1(1093)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.403e+01 1.302e+00 -8.529e-02 -1.022e-02 / + CHEB/ 2.741e+01 1.352e-01 3.684e-02 -7.734e-03 / + CHEB/ 1.049e-01 1.344e-02 6.921e-03 4.984e-04 / + CHEB/ -4.318e-02 -3.736e-04 3.953e-03 3.878e-03 / + CHEB/ -8.577e-02 -4.748e-03 -2.062e-04 1.879e-03 / + CHEB/ -7.643e-02 -2.249e-03 -1.063e-03 -3.839e-05 / + +! Reaction index: Chemkin #1802; RMG #7350 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), O-2(1040); O[C]1CO1(1093), CH2CHO(45); +O[C]1CO1(1093)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.163e+01 1.460e+00 -3.150e-02 -1.003e-02 / + CHEB/ 3.901e+01 5.164e-02 2.453e-02 5.905e-03 / + CHEB/ 6.324e-02 8.275e-03 5.600e-03 2.885e-03 / + CHEB/ -9.959e-03 -3.699e-03 -1.480e-03 -3.595e-05 / + CHEB/ -4.704e-02 -2.860e-03 -1.613e-03 -6.093e-04 / + CHEB/ -5.266e-02 -3.208e-04 -3.054e-04 -2.274e-04 / + +! Reaction index: Chemkin #1803; RMG #7351 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), O(16); O[C]1CO1(1093), cC2H3O(61); +O[C]1CO1(1093)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.748e+01 1.438e+00 -4.083e-02 -1.141e-02 / + CHEB/ 3.631e+01 6.775e-02 2.986e-02 5.306e-03 / + CHEB/ 1.600e-01 1.290e-02 8.290e-03 3.843e-03 / + CHEB/ 1.912e-02 -3.538e-03 -8.509e-04 6.363e-04 / + CHEB/ -4.008e-02 -3.757e-03 -1.951e-03 -5.717e-04 / + CHEB/ -4.967e-02 -7.410e-04 -6.036e-04 -3.822e-04 / + +! Reaction index: Chemkin #1804; RMG #7353 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), O(16); O[C]1CO1(1093), CH2CHO(45); +O[C]1CO1(1093)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.484e+01 1.269e+00 -8.769e-02 -4.479e-03 / + CHEB/ 2.567e+01 1.875e-01 4.719e-02 -1.089e-02 / + CHEB/ 4.105e-01 2.146e-02 1.192e-02 1.572e-03 / + CHEB/ 7.876e-02 8.141e-03 9.578e-03 5.995e-03 / + CHEB/ -2.184e-02 4.155e-04 3.146e-03 3.501e-03 / + CHEB/ -2.997e-02 6.002e-04 2.770e-04 4.455e-04 / + +! Reaction index: Chemkin #1805; RMG #7700 +! PDep reaction: PDepNetwork #327 +! Flux pairs: H(5), O[C]1CO1(1093); C2H2O2(1030), O[C]1CO1(1093); +H(5)+C2H2O2(1030)(+M)<=>O[C]1CO1(1093)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.218e-02 9.876e-01 -1.741e-01 -1.021e-02 / + CHEB/ 7.138e+00 5.757e-01 1.498e-01 -1.762e-02 / + CHEB/ 6.048e-01 -3.495e-02 2.472e-02 2.193e-02 / + CHEB/ 1.275e-01 -4.273e-02 -1.824e-02 -5.761e-04 / + CHEB/ -1.224e-02 -1.112e-02 -8.376e-03 -4.051e-03 / + CHEB/ -2.738e-02 -3.780e-04 -7.526e-04 -8.620e-04 / + +! Reaction index: Chemkin #1806; RMG #7357 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), OCHO(11); O[C]1CO1(1093), CH2(21); +O[C]1CO1(1093)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.049e+01 1.025e+00 -2.024e-01 -3.528e-02 / + CHEB/ 2.522e+01 3.576e-01 1.159e-01 -4.328e-04 / + CHEB/ 3.084e-01 1.186e-02 1.161e-02 4.452e-03 / + CHEB/ -1.138e-02 -1.895e-02 -3.051e-03 2.884e-03 / + CHEB/ -9.000e-02 -1.720e-02 -5.782e-03 6.794e-04 / + CHEB/ -8.236e-02 -6.231e-03 -3.299e-03 -7.479e-04 / + +! Reaction index: Chemkin #1807; RMG #7363 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), OCHO(11); [O]C1CO1(1094), CH2(S)(22); +[O]C1CO1(1094)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.943e+01 1.333e+00 -6.745e-02 -3.121e-03 / + CHEB/ 2.595e+01 8.317e-02 9.408e-03 -1.684e-02 / + CHEB/ -2.679e-01 3.125e-02 1.576e-02 3.069e-03 / + CHEB/ -1.527e-01 -1.570e-04 4.462e-03 4.356e-03 / + CHEB/ -7.314e-02 -6.230e-03 -9.247e-04 1.643e-03 / + CHEB/ -5.610e-02 -2.409e-03 -1.097e-03 -3.308e-05 / + +! Reaction index: Chemkin #1808; RMG #7364 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), O-2(1040); [O]C1CO1(1094), CH2CHO(45); +[O]C1CO1(1094)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.744e+01 1.462e+00 -2.990e-02 -9.286e-03 / + CHEB/ 3.773e+01 4.874e-02 2.279e-02 5.119e-03 / + CHEB/ -1.935e-01 9.635e-03 6.408e-03 3.241e-03 / + CHEB/ -9.403e-02 -3.459e-03 -1.332e-03 3.354e-05 / + CHEB/ -3.602e-02 -2.988e-03 -1.687e-03 -6.395e-04 / + CHEB/ -3.415e-02 -3.993e-04 -3.526e-04 -2.487e-04 / + +! Reaction index: Chemkin #1809; RMG #7365 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), O(16); [O]C1CO1(1094), cC2H3O(61); +[O]C1CO1(1094)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.326e+01 1.442e+00 -3.791e-02 -1.007e-02 / + CHEB/ 3.501e+01 6.153e-02 2.616e-02 3.671e-03 / + CHEB/ -1.101e-01 1.555e-02 9.830e-03 4.490e-03 / + CHEB/ -6.667e-02 -3.179e-03 -6.294e-04 7.400e-04 / + CHEB/ -2.784e-02 -4.017e-03 -2.096e-03 -6.278e-04 / + CHEB/ -3.072e-02 -8.589e-04 -6.724e-04 -4.115e-04 / + +! Reaction index: Chemkin #1810; RMG #7656 +! PDep reaction: PDepNetwork #320 +! Flux pairs: H(5), [O]C1CO1(1094); C2H2O2(1070), [O]C1CO1(1094); +H(5)+C2H2O2(1070)(+M)<=>[O]C1CO1(1094)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.602e+00 1.158e+00 4.378e-02 9.412e-03 / + CHEB/ 4.623e+00 3.606e-02 -1.228e-01 1.223e-02 / + CHEB/ 1.560e-01 9.317e-02 -3.136e-02 -2.463e-02 / + CHEB/ 4.541e-02 4.382e-02 1.679e-02 -1.405e-02 / + CHEB/ 2.106e-02 8.410e-03 1.881e-02 1.007e-03 / + CHEB/ -7.362e-03 -3.146e-03 7.426e-03 5.526e-03 / + +! Reaction index: Chemkin #1811; RMG #382 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH2CHOH(48); +CH3CHO(40)<=>CH2CHOH(48) 1.000e+00 0.000 0.000 + PLOG/ 0.050000 7.300e+45 -10.040 78.785 / + PLOG/ 0.100000 2.900e+45 -9.860 78.884 / + PLOG/ 1.000000 1.100e+46 -9.760 81.964 / + PLOG/ 10.000000 2.800e+45 -9.350 84.645 / + +! Reaction index: Chemkin #1812; RMG #416 +! Library reaction: NOx2018 +! Flux pairs: CH2CHOH(48), CH2CHO(45); H(5), H2(6); +H(5)+CH2CHOH(48)<=>H2(6)+CH2CHO(45) 1.500000e+03 3.077 7.230 + +! Reaction index: Chemkin #1813; RMG #418 +! Library reaction: NOx2018 +O(16)+CH2CHOH(48)<=>HCO(13)+CH2OH(26) 3.900000e+12 0.000 1.494 +DUPLICATE +! Reaction index: Chemkin #1814; RMG #418 +! Library reaction: NOx2018 +O(16)+CH2CHOH(48)<=>HCO(13)+CH2OH(26) 6.200000e+13 0.000 6.855 +DUPLICATE + + +! Reaction index: Chemkin #1815; RMG #419 +! Library reaction: NOx2018 +O(16)+CH2CHOH(48)<=>H(5)+CO(8)+CH2OH(26) 3.700000e+23 -2.473 26.782 +DUPLICATE +! Reaction index: Chemkin #1816; RMG #419 +! Library reaction: NOx2018 +O(16)+CH2CHOH(48)<=>H(5)+CO(8)+CH2OH(26) 2.300000e+22 -2.473 21.421 +DUPLICATE + + +! Reaction index: Chemkin #1817; RMG #420 +! Library reaction: NOx2018 +! Flux pairs: CH2CHOH(48), CH2CHO(45); O(16), OH(3); +O(16)+CH2CHOH(48)<=>OH(3)+CH2CHO(45) 1.600000e+07 2.000 4.400 + +! Reaction index: Chemkin #1818; RMG #422 +! Library reaction: NOx2018 +OH(3)+CH2CHOH(48)<=>H2O(17)+CH2CHO(45) 2.400000e+03 2.820 -0.691 +DUPLICATE +! Reaction index: Chemkin #1819; RMG #422 +! Library reaction: NOx2018 +OH(3)+CH2CHOH(48)<=>H2O(17)+CH2CHO(45) 7.900000e+07 1.180 -0.303 +DUPLICATE + + +! Reaction index: Chemkin #1820; RMG #423 +! Library reaction: NOx2018 +! Flux pairs: CH2CHOH(48), CH2CHO(45); HO2(4), H2O2(18); +HO2(4)+CH2CHOH(48)<=>H2O2(18)+CH2CHO(45) 1.600000e+12 0.000 16.293 + +! Reaction index: Chemkin #1821; RMG #424 +! Library reaction: NOx2018 +! Flux pairs: CH2CHOH(48), CH3CHO(40); HO2(4), HO2(4); +HO2(4)+CH2CHOH(48)<=>HO2(4)+CH3CHO(40) 1.500000e+05 1.670 6.810 + +! Reaction index: Chemkin #1822; RMG #425 +! Library reaction: NOx2018 +O2(2)+CH2CHOH(48)=>OH(3)+HCO(13)+CH2O(12) 3.500000e+07 1.800 39.000 +DUPLICATE +! Reaction index: Chemkin #1823; RMG #425 +! Library reaction: NOx2018 +O2(2)+CH2CHOH(48)=>OH(3)+HCO(13)+CH2O(12) -2.100000e+17 -0.673 58.927 +DUPLICATE + + +! Reaction index: Chemkin #1824; RMG #656 +! Library reaction: CurranPentane +! Flux pairs: CH2CHOH(48), CH2CHO(45); O2(2), HO2(4); +O2(2)+CH2CHOH(48)<=>HO2(4)+CH2CHO(45) 5.310000e+11 0.210 39.830 + +! Reaction index: Chemkin #1825; RMG #657 +! Library reaction: CurranPentane +! Flux pairs: CH2CHOH(48), CH2CHO(45); CH3(7), CH4(20); +CH3(7)+CH2CHOH(48)<=>CH4(20)+CH2CHO(45) 2.030000e-08 5.900 1.052 + +! Reaction index: Chemkin #1826; RMG #7913 +! PDep reaction: PDepNetwork #297 +! Flux pairs: CH2CHOH(48), CH3CHO(40); H(5), H(5); +H(5)+CH2CHOH(48)(+M)<=>H(5)+CH3CHO(40)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.171e+01 -8.804e-01 -6.939e-02 4.586e-03 / + CHEB/ 2.046e+00 7.902e-01 -7.475e-03 -1.366e-02 / + CHEB/ 7.122e-02 1.914e-01 6.062e-02 -4.450e-03 / + CHEB/ -6.672e-02 -4.913e-02 2.676e-02 7.775e-03 / + CHEB/ -1.532e-02 -5.803e-02 -6.815e-03 4.963e-03 / + CHEB/ 1.398e-03 -2.084e-02 -1.047e-02 -5.576e-04 / + +! Reaction index: Chemkin #1827; RMG #7159 +! Template reaction: H_Abstraction +! Flux pairs: CH2CHOH(48), C2H3O(1084); OH(3), H2O(17); +! Estimated using template [Cd_H;O_pri_rad] for rate rule [Cd/H/NonDeO;O_pri_rad] +! Euclidian distance = 2.0 +! family: H_Abstraction +OH(3)+CH2CHOH(48)<=>H2O(17)+C2H3O(1084) 1.536897e+03 2.951 6.309 + +! Reaction index: Chemkin #1828; RMG #7379 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), O(16); [O]C1CO1(1094), CH2CHO(45); +[O]C1CO1(1094)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.011e+01 1.306e+00 -6.721e-02 3.042e-03 / + CHEB/ 2.397e+01 1.008e-01 3.217e-03 -2.390e-02 / + CHEB/ -8.786e-02 3.814e-02 1.834e-02 1.990e-03 / + CHEB/ -1.021e-01 8.978e-04 6.552e-03 5.497e-03 / + CHEB/ -6.098e-02 -7.012e-03 -4.837e-04 2.406e-03 / + CHEB/ -5.023e-02 -3.121e-03 -1.447e-03 1.540e-05 / + +! Reaction index: Chemkin #1829; RMG #7698 +! PDep reaction: PDepNetwork #327 +! Flux pairs: H(5), [O]C1CO1(1094); C2H2O2(1030), [O]C1CO1(1094); +H(5)+C2H2O2(1030)(+M)<=>[O]C1CO1(1094)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.223e+00 7.635e-01 -6.639e-02 -6.969e-03 / + CHEB/ 3.429e+00 1.034e-01 -9.313e-02 3.532e-02 / + CHEB/ 3.195e-01 2.912e-01 -1.819e-02 -4.461e-02 / + CHEB/ -1.269e-01 8.824e-02 6.172e-02 -6.967e-03 / + CHEB/ -7.435e-02 -5.333e-02 1.824e-02 1.780e-02 / + CHEB/ -3.751e-02 -2.681e-02 -1.240e-02 2.448e-03 / + +! Reaction index: Chemkin #1830; RMG #7384 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), OCHO(11); [O]C1CO1(1094), CH2(21); +[O]C1CO1(1094)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.562e+01 1.066e+00 -1.791e-01 -2.687e-02 / + CHEB/ 2.359e+01 2.723e-01 7.375e-02 -1.188e-02 / + CHEB/ -1.172e-01 4.127e-02 2.407e-02 6.453e-03 / + CHEB/ -1.271e-01 -1.790e-02 -1.491e-03 4.067e-03 / + CHEB/ -7.370e-02 -1.956e-02 -6.698e-03 5.247e-04 / + CHEB/ -5.890e-02 -6.807e-03 -3.440e-03 -7.248e-04 / + +! Reaction index: Chemkin #1831; RMG #7385 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), HOCO(10); [O]C1CO1(1094), CH2(21); +[O]C1CO1(1094)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.533e+01 1.073e+00 -1.329e-01 -3.633e-03 / + CHEB/ 1.971e+01 3.233e-01 6.050e-02 -1.589e-02 / + CHEB/ -2.987e-02 5.742e-03 5.071e-03 -3.205e-03 / + CHEB/ -7.476e-02 -9.680e-03 2.835e-03 2.278e-03 / + CHEB/ -4.685e-02 -7.210e-03 2.340e-03 4.536e-03 / + CHEB/ -5.392e-02 -3.351e-03 -4.820e-04 1.684e-03 / + +! Reaction index: Chemkin #1832; RMG #7386 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), O(16); [O]C1CO1(1094), C2H3O(1084); +[O]C1CO1(1094)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.140e+01 1.382e+00 -6.484e-02 -1.620e-02 / + CHEB/ 3.141e+01 1.097e-01 4.530e-02 6.400e-03 / + CHEB/ -2.063e-01 1.907e-02 1.160e-02 4.567e-03 / + CHEB/ -1.009e-01 -3.831e-03 -2.722e-05 1.604e-03 / + CHEB/ -2.942e-02 -4.866e-03 -2.105e-03 -2.002e-04 / + CHEB/ -3.428e-02 -1.188e-03 -8.942e-04 -4.759e-04 / + +! Reaction index: Chemkin #1833; RMG #7387 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), O(16); [O]C1CO1(1094), CH3CO(47); +[O]C1CO1(1094)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.007e+01 1.029e+00 -1.946e-01 -3.461e-02 / + CHEB/ 2.212e+01 4.174e-01 1.435e-01 1.383e-02 / + CHEB/ -8.263e-02 1.084e-02 1.102e-02 3.643e-03 / + CHEB/ -7.885e-02 -1.344e-02 -9.389e-04 2.083e-03 / + CHEB/ -4.364e-02 -9.590e-03 -1.467e-03 2.140e-03 / + CHEB/ -5.082e-02 -2.934e-03 -1.401e-03 1.954e-04 / + +! Reaction index: Chemkin #1834; RMG #7683 +! PDep reaction: PDepNetwork #323 +! Flux pairs: H(5), CH2CHOH(48); CH2CHO(45), CH2CHOH(48); +H(5)+CH2CHO(45)(+M)<=>CH2CHOH(48)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.318e+01 1.382e-01 -2.437e-02 1.510e-03 / + CHEB/ -1.497e-01 2.488e-01 -4.032e-02 1.466e-03 / + CHEB/ -1.924e-01 1.828e-01 -2.211e-02 -1.196e-03 / + CHEB/ -1.459e-01 1.104e-01 -5.691e-03 -2.429e-03 / + CHEB/ -9.312e-02 5.434e-02 2.955e-03 -1.845e-03 / + CHEB/ -5.293e-02 2.070e-02 4.720e-03 -5.973e-04 / + +! Reaction index: Chemkin #1835; RMG #7401 +! PDep reaction: PDepNetwork #285 +! Flux pairs: CH2CHOH(48), H(5); CH2CHOH(48), C2H3O(1084); +CH2CHOH(48)(+M)<=>H(5)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.886e+01 7.074e-01 -1.787e-01 1.500e-02 / + CHEB/ 3.388e+01 3.498e-01 3.711e-02 -2.507e-02 / + CHEB/ -5.174e-01 1.662e-01 3.148e-02 -6.784e-03 / + CHEB/ -2.765e-01 6.210e-02 1.871e-02 6.510e-04 / + CHEB/ -1.398e-01 1.934e-02 7.963e-03 1.634e-03 / + CHEB/ -6.547e-02 1.646e-03 2.770e-03 1.144e-03 / + +! Reaction index: Chemkin #1836; RMG #7408 +! Template reaction: CO_Disproportionation +! Flux pairs: CH2CHO(45), CH2CHOH(48); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+CH2CHO(45)<=>CO(8)+CH2CHOH(48) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #1837; RMG #7409 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H3O(1084), CH2CHOH(48); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Ext-4CO-R +HCO(13)+C2H3O(1084)<=>CO(8)+CH2CHOH(48) 1.200000e+14 0.000 0.000 + +! Reaction index: Chemkin #1838; RMG #7410 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CHOH(48); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+CH2CHO(45)<=>CO2(9)+CH2CHOH(48) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1839; RMG #7411 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CHOH(48); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +HOCO(10)+C2H3O(1084)<=>CO2(9)+CH2CHOH(48) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #1840; RMG #7413 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CHOH(48); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+CH2CHO(45)<=>CO2(9)+CH2CHOH(48) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1841; RMG #7414 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CHOH(48); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2H3O(1084)<=>CO2(9)+CH2CHOH(48) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1842; RMG #7593 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), CO(8); C2HO3(1068), HOCO(10); +C2HO3(1068)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.078e+00 1.068e+00 -2.164e-01 -5.873e-02 / + CHEB/ 3.873e+00 2.090e-01 9.833e-02 2.578e-02 / + CHEB/ 8.760e-01 2.940e-02 2.127e-04 -9.813e-03 / + CHEB/ -2.697e-02 5.903e-02 2.537e-02 4.145e-03 / + CHEB/ -4.561e-02 -6.126e-03 3.156e-03 4.828e-03 / + CHEB/ -2.587e-02 1.925e-03 2.341e-03 1.475e-03 / + +! Reaction index: Chemkin #1843; RMG #7595 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), CO2(9); C2HO3(1068), HCO(13); +C2HO3(1068)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.004e+01 1.144e+00 -1.754e-01 -4.470e-02 / + CHEB/ -5.461e-02 1.776e-01 6.963e-02 8.402e-03 / + CHEB/ -4.651e-02 2.689e-02 1.087e-02 8.745e-04 / + CHEB/ -6.302e-02 1.530e-02 5.694e-03 3.942e-04 / + CHEB/ -4.174e-02 -9.786e-03 -1.836e-03 1.283e-03 / + CHEB/ -2.205e-02 -1.514e-03 4.616e-04 9.679e-04 / + +! Reaction index: Chemkin #1844; RMG #7594 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), CO(8); C2HO3(1068), OCHO(11); +C2HO3(1068)(+M)<=>CO(8)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.706e+00 1.130e+00 -1.798e-01 -4.378e-02 / + CHEB/ 4.843e-01 1.988e-01 7.986e-02 1.142e-02 / + CHEB/ 3.450e-01 6.117e-02 2.802e-02 5.883e-03 / + CHEB/ 2.144e-01 3.959e-02 1.834e-02 4.500e-03 / + CHEB/ 1.341e-01 -1.771e-03 2.970e-03 3.349e-03 / + CHEB/ 6.967e-02 -1.446e-03 8.120e-04 1.357e-03 / + +! Reaction index: Chemkin #1845; RMG #7585 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), C2HO3(990); +C2HO3(1068)(+M)<=>C2HO3(990)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.146e+00 2.635e+00 -1.886e-01 -4.709e-02 / + CHEB/ -4.369e-01 1.692e-01 6.345e-02 5.233e-03 / + CHEB/ -1.672e-01 3.735e-02 1.478e-02 8.478e-04 / + CHEB/ -1.119e-01 2.352e-02 9.401e-03 1.094e-03 / + CHEB/ -1.620e-02 -9.933e-03 -1.541e-03 1.633e-03 / + CHEB/ -6.074e-03 -3.038e-03 -3.485e-05 1.040e-03 / + +! Reaction index: Chemkin #1846; RMG #7561 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), C2HO3(1028); +C2HO3(1068)(+M)<=>C2HO3(1028)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.897e+00 2.985e+00 -2.821e-02 -9.201e-03 / + CHEB/ -2.249e-01 1.460e-02 8.025e-03 3.848e-03 / + CHEB/ 8.700e-02 -1.937e-02 -1.014e-02 -3.380e-03 / + CHEB/ 4.208e-02 -3.366e-03 -2.402e-03 -1.185e-03 / + CHEB/ -8.829e-02 -2.064e-03 -1.111e-03 -4.693e-04 / + CHEB/ 1.326e-02 3.289e-03 1.452e-03 2.627e-04 / + +! Reaction index: Chemkin #1847; RMG #7587 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), C2HO3(991); +C2HO3(1068)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.829e+00 2.603e+00 -2.229e-01 -7.098e-02 / + CHEB/ 2.673e+00 2.272e-01 1.078e-01 2.826e-02 / + CHEB/ 7.357e-01 1.115e-02 6.938e-03 3.680e-03 / + CHEB/ -2.483e-01 5.232e-02 2.344e-02 5.273e-03 / + CHEB/ -2.733e-01 8.607e-03 5.668e-03 2.453e-03 / + CHEB/ -1.471e-01 7.093e-03 4.146e-03 1.388e-03 / + +! Reaction index: Chemkin #1848; RMG #5246 +! PDep reaction: PDepNetwork #135 +! Flux pairs: OH(3), C2HO3(1068); C2O2(1002), C2HO3(1068); +OH(3)+C2O2(1002)(+M)<=>C2HO3(1068)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.070e+00 1.097e+00 -1.925e-01 -4.839e-02 / + CHEB/ 2.477e-01 3.320e-01 1.386e-01 2.618e-02 / + CHEB/ -3.607e-01 6.444e-03 6.977e-03 5.021e-03 / + CHEB/ -2.613e-01 2.506e-02 9.212e-03 5.717e-04 / + CHEB/ -8.365e-02 -1.117e-02 -1.155e-03 1.971e-03 / + CHEB/ -5.250e-02 5.332e-03 2.595e-03 5.620e-04 / + +! Reaction index: Chemkin #1849; RMG #7586 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), C2HO3(993); +C2HO3(1068)(+M)<=>C2HO3(993)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.273e+00 2.767e+00 -1.389e-01 -4.386e-02 / + CHEB/ -1.992e-01 1.567e-01 7.147e-02 1.646e-02 / + CHEB/ -6.189e-02 -3.676e-03 1.104e-03 2.396e-03 / + CHEB/ -7.828e-02 2.836e-03 1.294e-03 5.196e-04 / + CHEB/ -5.685e-02 4.853e-04 4.550e-04 2.591e-04 / + CHEB/ -2.833e-02 3.808e-03 1.915e-03 5.744e-04 / + +! Reaction index: Chemkin #1850; RMG #7588 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), C2HO3(1015); +C2HO3(1068)(+M)<=>C2HO3(1015)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.705e-01 2.567e+00 -2.418e-01 -7.756e-02 / + CHEB/ 3.114e+00 3.208e-01 1.612e-01 4.998e-02 / + CHEB/ 1.013e+00 1.185e-02 7.719e-03 4.626e-03 / + CHEB/ 6.470e-02 6.845e-02 3.144e-02 7.577e-03 / + CHEB/ -5.409e-02 7.477e-03 5.531e-03 2.678e-03 / + CHEB/ -3.153e-02 1.524e-02 8.505e-03 2.817e-03 / + +! Reaction index: Chemkin #1851; RMG #7562 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), C2HO3(1027); +C2HO3(1068)(+M)<=>C2HO3(1027)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.001e+00 2.787e+00 -1.082e-01 -1.988e-02 / + CHEB/ -5.716e-01 7.908e-02 2.155e-02 -4.075e-03 / + CHEB/ 1.100e-01 5.841e-03 -3.629e-03 -6.698e-03 / + CHEB/ 1.017e-01 1.077e-02 2.424e-03 -1.528e-03 / + CHEB/ 7.941e-02 -3.989e-04 2.123e-03 1.706e-03 / + CHEB/ 2.021e-02 1.887e-03 2.534e-03 1.828e-03 / + +! Reaction index: Chemkin #1852; RMG #6177 +! PDep reaction: PDepNetwork #217 +! Flux pairs: H(5), C2HO3(1068); C2O3(1069), C2HO3(1068); +H(5)+C2O3(1069)(+M)<=>C2HO3(1068)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.243e+00 1.349e+00 -5.284e-02 3.278e-03 / + CHEB/ 3.656e+00 8.238e-02 1.175e-02 -1.194e-02 / + CHEB/ 2.187e-01 3.042e-02 8.781e-03 -2.315e-03 / + CHEB/ -4.098e-02 2.658e-02 9.935e-03 7.049e-04 / + CHEB/ -6.844e-02 3.275e-03 5.611e-03 3.338e-03 / + CHEB/ -3.825e-02 2.145e-03 2.879e-03 1.876e-03 / + +! Reaction index: Chemkin #1853; RMG #7589 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), C2HO3(1055); +C2HO3(1068)(+M)<=>C2HO3(1055)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.967e+00 2.031e+00 -2.252e-01 -4.176e-02 / + CHEB/ 1.678e+00 9.372e-01 9.366e-02 -3.582e-03 / + CHEB/ 4.062e-01 1.626e-02 6.045e-02 5.965e-03 / + CHEB/ 1.836e-01 -1.039e-01 -2.926e-03 9.210e-03 / + CHEB/ 8.528e-02 -2.389e-02 -1.815e-02 -1.577e-03 / + CHEB/ 1.739e-02 1.733e-02 -1.625e-03 -2.828e-03 / + +! Reaction index: Chemkin #1854; RMG #7422 +! PDep reaction: PDepNetwork #39 +! Flux pairs: HOCO(10), C2HO2(1001); CO(8), O-2(1040); +CO(8)+HOCO(10)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.930e+01 -7.939e-02 -4.623e-02 -1.956e-02 / + CHEB/ 5.380e+01 3.692e-02 2.110e-02 8.565e-03 / + CHEB/ 2.697e-01 2.383e-02 1.348e-02 5.346e-03 / + CHEB/ 1.026e-01 8.379e-03 4.905e-03 2.097e-03 / + CHEB/ -4.744e-02 -2.315e-03 -1.098e-03 -2.434e-04 / + CHEB/ -9.277e-03 -4.758e-03 -2.532e-03 -8.582e-04 / + +! Reaction index: Chemkin #1855; RMG #7423 +! PDep reaction: PDepNetwork #39 +! Flux pairs: HOCO(10), O1[C]2OC12(1049); CO(8), O(16); +CO(8)+HOCO(10)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.721e+01 -8.414e-02 -4.879e-02 -2.046e-02 / + CHEB/ 5.292e+01 3.969e-02 2.258e-02 9.069e-03 / + CHEB/ 3.457e-01 2.573e-02 1.448e-02 5.674e-03 / + CHEB/ 1.014e-01 9.180e-03 5.351e-03 2.267e-03 / + CHEB/ -5.163e-02 -2.499e-03 -1.162e-03 -2.340e-04 / + CHEB/ -2.171e-03 -5.342e-03 -2.818e-03 -9.336e-04 / + +! Reaction index: Chemkin #1856; RMG #7424 +! PDep reaction: PDepNetwork #44 +! Flux pairs: CO2(9), C2HO2(1001); HCO(13), O-2(1040); +CO2(9)+HCO(13)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.512e+01 -8.067e-02 -4.696e-02 -1.986e-02 / + CHEB/ 5.821e+01 3.554e-02 2.029e-02 8.209e-03 / + CHEB/ 1.729e-01 2.359e-02 1.330e-02 5.237e-03 / + CHEB/ 3.571e-02 8.540e-03 4.972e-03 2.101e-03 / + CHEB/ -8.301e-02 -2.190e-03 -1.028e-03 -2.169e-04 / + CHEB/ -2.351e-02 -4.713e-03 -2.497e-03 -8.365e-04 / + +! Reaction index: Chemkin #1857; RMG #7425 +! PDep reaction: PDepNetwork #44 +! Flux pairs: CO2(9), O1[C]2OC12(1049); HCO(13), O(16); +CO2(9)+HCO(13)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.296e+01 -8.562e-02 -4.963e-02 -2.080e-02 / + CHEB/ 5.731e+01 3.814e-02 2.167e-02 8.674e-03 / + CHEB/ 2.327e-01 2.547e-02 1.428e-02 5.546e-03 / + CHEB/ 2.554e-02 9.358e-03 5.420e-03 2.265e-03 / + CHEB/ -8.934e-02 -2.354e-03 -1.079e-03 -2.011e-04 / + CHEB/ -1.550e-02 -5.259e-03 -2.758e-03 -8.975e-04 / + +! Reaction index: Chemkin #1858; RMG #7426 +! PDep reaction: PDepNetwork #66 +! Flux pairs: OCHO(11), C2HO2(1001); CO(8), O-2(1040); +CO(8)+OCHO(11)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.770e+01 -5.497e-02 -3.174e-02 -1.318e-02 / + CHEB/ 5.034e+01 6.027e-02 3.500e-02 1.472e-02 / + CHEB/ 3.392e-01 5.588e-03 2.854e-03 8.514e-04 / + CHEB/ -1.981e-01 -1.576e-02 -9.205e-03 -3.916e-03 / + CHEB/ -2.650e-01 -3.034e-03 -1.541e-03 -4.522e-04 / + CHEB/ -1.349e-02 6.495e-03 3.943e-03 1.807e-03 / + +! Reaction index: Chemkin #1859; RMG #7427 +! PDep reaction: PDepNetwork #66 +! Flux pairs: OCHO(11), O1[C]2OC12(1049); CO(8), O(16); +CO(8)+OCHO(11)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.546e+01 -5.280e-02 -3.033e-02 -1.246e-02 / + CHEB/ 4.949e+01 6.338e-02 3.659e-02 1.519e-02 / + CHEB/ 2.731e-01 -4.061e-03 -2.753e-03 -1.509e-03 / + CHEB/ -2.672e-01 -1.541e-02 -8.810e-03 -3.577e-03 / + CHEB/ -1.970e-01 4.410e-03 2.742e-03 1.313e-03 / + CHEB/ 4.556e-02 5.757e-03 3.311e-03 1.355e-03 / + +! Reaction index: Chemkin #1860; RMG #7428 +! PDep reaction: PDepNetwork #72 +! Flux pairs: C2HO3(991), O-2(1040); C2HO3(991), C2HO2(1001); +C2HO3(991)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.594e+01 1.512e+00 -5.232e-03 -2.416e-03 / + CHEB/ 5.455e+01 -1.591e-03 -9.360e-04 -4.051e-04 / + CHEB/ -1.890e-02 3.165e-03 1.861e-03 8.053e-04 / + CHEB/ -3.980e-01 4.403e-03 2.642e-03 1.192e-03 / + CHEB/ -3.753e-01 -3.612e-04 -1.998e-04 -7.534e-05 / + CHEB/ -7.361e-03 -1.713e-03 -1.017e-03 -4.501e-04 / + +! Reaction index: Chemkin #1861; RMG #7429 +! PDep reaction: PDepNetwork #72 +! Flux pairs: C2HO3(991), O(16); C2HO3(991), O1[C]2OC12(1049); +C2HO3(991)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.364e+01 1.510e+00 -6.543e-03 -2.984e-03 / + CHEB/ 5.363e+01 -1.270e-03 -7.411e-04 -3.157e-04 / + CHEB/ -1.075e-01 6.145e-03 3.609e-03 1.559e-03 / + CHEB/ -4.478e-01 4.001e-03 2.394e-03 1.075e-03 / + CHEB/ -2.891e-01 -2.128e-03 -1.245e-03 -5.343e-04 / + CHEB/ 3.641e-02 -1.036e-03 -6.057e-04 -2.613e-04 / + +! Reaction index: Chemkin #1862; RMG #7430 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), O-2(1040); C2HO3(990), C2HO2(1001); +C2HO3(990)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.683e+01 1.440e+00 -4.682e-02 -1.980e-02 / + CHEB/ 5.123e+01 3.584e-02 2.046e-02 8.285e-03 / + CHEB/ -1.415e-01 2.369e-02 1.337e-02 5.273e-03 / + CHEB/ -8.486e-02 8.563e-03 4.993e-03 2.116e-03 / + CHEB/ -8.098e-02 -2.186e-03 -1.024e-03 -2.134e-04 / + CHEB/ -1.304e-02 -4.725e-03 -2.505e-03 -8.412e-04 / + +! Reaction index: Chemkin #1863; RMG #7431 +! PDep reaction: PDepNetwork #86 +! Flux pairs: C2HO3(990), O(16); C2HO3(990), O1[C]2OC12(1049); +C2HO3(990)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.469e+01 1.435e+00 -4.947e-02 -2.074e-02 / + CHEB/ 5.034e+01 3.846e-02 2.185e-02 8.754e-03 / + CHEB/ -7.851e-02 2.560e-02 1.437e-02 5.594e-03 / + CHEB/ -9.303e-02 9.412e-03 5.460e-03 2.291e-03 / + CHEB/ -8.673e-02 -2.352e-03 -1.076e-03 -1.982e-04 / + CHEB/ -5.140e-03 -5.295e-03 -2.781e-03 -9.097e-04 / + +! Reaction index: Chemkin #1864; RMG #7432 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), C2HO2(1001); OH(3), O-2(1040); +OH(3)+C2O2(1002)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.674e+01 -8.193e-03 -4.981e-03 -2.304e-03 / + CHEB/ 2.340e+01 -1.161e-03 -6.777e-04 -2.885e-04 / + CHEB/ 2.892e-01 3.077e-03 1.812e-03 7.868e-04 / + CHEB/ -1.488e-01 4.319e-03 2.596e-03 1.174e-03 / + CHEB/ -2.493e-01 -2.601e-04 -1.371e-04 -4.528e-05 / + CHEB/ 2.682e-02 -1.688e-03 -1.002e-03 -4.428e-04 / + +! Reaction index: Chemkin #1865; RMG #7433 +! PDep reaction: PDepNetwork #135 +! Flux pairs: C2O2(1002), O1[C]2OC12(1049); OH(3), O(16); +OH(3)+C2O2(1002)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.454e+01 -1.024e-02 -6.188e-03 -2.828e-03 / + CHEB/ 2.252e+01 -8.355e-04 -4.810e-04 -1.989e-04 / + CHEB/ 2.293e-01 5.914e-03 3.479e-03 1.507e-03 / + CHEB/ -1.925e-01 4.049e-03 2.429e-03 1.096e-03 / + CHEB/ -1.697e-01 -1.980e-03 -1.155e-03 -4.919e-04 / + CHEB/ 7.251e-02 -1.203e-03 -7.070e-04 -3.077e-04 / + +! Reaction index: Chemkin #1866; RMG #7434 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), O-2(1040); C2HO3(1028), C2HO2(1001); +C2HO3(1028)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.739e+01 1.515e+00 -3.453e-03 -1.444e-03 / + CHEB/ 4.421e+01 5.096e-03 2.920e-03 1.198e-03 / + CHEB/ -1.985e-01 -6.885e-04 -4.240e-04 -1.996e-04 / + CHEB/ -2.906e-01 5.278e-04 3.094e-04 1.327e-04 / + CHEB/ -1.692e-01 3.193e-04 1.863e-04 7.846e-05 / + CHEB/ 3.277e-02 -9.575e-05 -2.730e-05 1.318e-05 / + +! Reaction index: Chemkin #1867; RMG #7435 +! PDep reaction: PDepNetwork #144 +! Flux pairs: C2HO3(1028), O(16); C2HO3(1028), O1[C]2OC12(1049); +C2HO3(1028)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.479e+01 1.514e+00 -3.683e-03 -1.515e-03 / + CHEB/ 4.282e+01 5.244e-03 2.988e-03 1.211e-03 / + CHEB/ -2.036e-01 -4.650e-04 -3.096e-04 -1.644e-04 / + CHEB/ -2.145e-01 7.547e-04 4.312e-04 1.753e-04 / + CHEB/ -1.142e-01 2.623e-04 1.602e-04 7.323e-05 / + CHEB/ 2.724e-02 -2.664e-04 -1.124e-04 -1.085e-05 / + +! Reaction index: Chemkin #1868; RMG #7436 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), O-2(1040); C2HO3(993), C2HO2(1001); +C2HO3(993)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.453e+01 1.514e+00 -3.721e-03 -1.600e-03 / + CHEB/ 4.839e+01 4.504e-03 2.639e-03 1.137e-03 / + CHEB/ -5.891e-01 -6.010e-05 -8.916e-05 -8.531e-05 / + CHEB/ -5.501e-01 3.492e-04 2.152e-04 1.018e-04 / + CHEB/ -1.507e-01 3.445e-04 1.976e-04 8.002e-05 / + CHEB/ 8.487e-03 6.388e-05 5.740e-05 4.157e-05 / + +! Reaction index: Chemkin #1869; RMG #7437 +! PDep reaction: PDepNetwork #150 +! Flux pairs: C2HO3(993), O(16); C2HO3(993), O1[C]2OC12(1049); +C2HO3(993)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.182e+01 1.513e+00 -4.410e-03 -1.855e-03 / + CHEB/ 4.702e+01 5.559e-03 3.209e-03 1.340e-03 / + CHEB/ -6.763e-01 -2.019e-04 -1.635e-04 -1.082e-04 / + CHEB/ -4.521e-01 8.023e-04 4.534e-04 1.799e-04 / + CHEB/ -9.770e-02 2.775e-04 1.650e-04 7.128e-05 / + CHEB/ -1.180e-02 -2.502e-04 -1.025e-04 -6.559e-06 / + +! Reaction index: Chemkin #1870; RMG #7438 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), O-2(1040); C2HO3(1015), C2HO2(1001); +C2HO3(1015)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.153e+01 1.517e+00 -2.308e-03 -1.084e-03 / + CHEB/ 4.454e+01 2.603e-03 1.617e-03 7.790e-04 / + CHEB/ 1.475e-01 -5.840e-04 -3.657e-04 -1.783e-04 / + CHEB/ 7.158e-02 4.823e-04 2.770e-04 1.139e-04 / + CHEB/ -3.150e-03 2.007e-04 1.125e-04 4.357e-05 / + CHEB/ -3.595e-02 1.942e-04 1.225e-04 6.034e-05 / + +! Reaction index: Chemkin #1871; RMG #7439 +! PDep reaction: PDepNetwork #151 +! Flux pairs: C2HO3(1015), O(16); C2HO3(1015), O1[C]2OC12(1049); +C2HO3(1015)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.938e+01 1.517e+00 -2.489e-03 -1.158e-03 / + CHEB/ 4.365e+01 2.632e-03 1.645e-03 8.005e-04 / + CHEB/ 2.096e-01 -4.565e-04 -3.027e-04 -1.613e-04 / + CHEB/ 5.730e-02 7.112e-04 3.997e-04 1.567e-04 / + CHEB/ -1.006e-02 2.322e-04 1.319e-04 5.255e-05 / + CHEB/ -2.856e-02 8.748e-05 6.880e-05 4.480e-05 / + +! Reaction index: Chemkin #1872; RMG #7440 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), O-2(1040); C2HO3(1027), C2HO2(1001); +C2HO3(1027)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.411e+01 1.502e+00 -1.036e-02 -4.089e-03 / + CHEB/ 4.945e+01 9.034e-03 4.985e-03 1.868e-03 / + CHEB/ -3.479e-02 3.192e-03 1.610e-03 4.609e-04 / + CHEB/ 7.225e-02 2.185e-03 1.252e-03 5.096e-04 / + CHEB/ 5.829e-02 2.149e-03 1.295e-03 5.810e-04 / + CHEB/ 1.790e-02 -7.786e-04 -3.260e-04 -2.679e-05 / + +! Reaction index: Chemkin #1873; RMG #7441 +! PDep reaction: PDepNetwork #157 +! Flux pairs: C2HO3(1027), O(16); C2HO3(1027), O1[C]2OC12(1049); +C2HO3(1027)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.200e+01 1.501e+00 -1.124e-02 -4.363e-03 / + CHEB/ 4.854e+01 9.074e-03 4.956e-03 1.812e-03 / + CHEB/ 4.640e-02 4.268e-03 2.167e-03 6.373e-04 / + CHEB/ 8.610e-02 3.328e-03 1.884e-03 7.469e-04 / + CHEB/ 5.604e-02 2.365e-03 1.433e-03 6.488e-04 / + CHEB/ 1.569e-02 -1.469e-03 -6.816e-04 -1.376e-04 / + +! Reaction index: Chemkin #1874; RMG #7442 +! PDep reaction: PDepNetwork #217 +! Flux pairs: C2O3(1069), C2HO2(1001); H(5), O-2(1040); +H(5)+C2O3(1069)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.399e+01 -4.215e-03 -2.532e-03 -1.146e-03 / + CHEB/ 2.766e+01 2.685e-03 1.669e-03 8.043e-04 / + CHEB/ 1.437e-01 2.559e-04 7.538e-05 -3.369e-05 / + CHEB/ -3.250e-01 6.593e-04 3.761e-04 1.525e-04 / + CHEB/ -1.339e-01 -1.087e-04 -3.919e-05 4.100e-06 / + CHEB/ 5.357e-02 1.099e-04 8.198e-05 5.031e-05 / + +! Reaction index: Chemkin #1875; RMG #7443 +! PDep reaction: PDepNetwork #217 +! Flux pairs: C2O3(1069), O1[C]2OC12(1049); H(5), O(16); +H(5)+C2O3(1069)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.178e+01 -4.898e-03 -2.895e-03 -1.270e-03 / + CHEB/ 2.677e+01 3.141e-03 1.917e-03 8.941e-04 / + CHEB/ 9.759e-03 6.491e-04 2.684e-04 1.722e-05 / + CHEB/ -2.836e-01 5.359e-04 3.179e-04 1.401e-04 / + CHEB/ -2.103e-02 -9.414e-05 -2.674e-05 1.221e-05 / + CHEB/ 4.444e-02 7.056e-05 6.203e-05 4.407e-05 / + +! Reaction index: Chemkin #1876; RMG #7444 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), O-2(1040); C2HO3(1055), C2HO2(1001); +C2HO3(1055)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.529e+01 1.513e+00 -4.605e-03 -2.021e-03 / + CHEB/ 4.062e+01 4.297e-03 2.511e-03 1.075e-03 / + CHEB/ -5.301e-01 -6.847e-04 -4.737e-04 -2.676e-04 / + CHEB/ -4.487e-01 -3.015e-04 -1.851e-04 -8.752e-05 / + CHEB/ -7.989e-02 -9.788e-05 -7.425e-05 -4.833e-05 / + CHEB/ 2.395e-02 -1.842e-04 -9.499e-05 -3.033e-05 / + +! Reaction index: Chemkin #1877; RMG #7445 +! PDep reaction: PDepNetwork #238 +! Flux pairs: C2HO3(1055), O(16); C2HO3(1055), O1[C]2OC12(1049); +C2HO3(1055)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.259e+01 1.511e+00 -5.397e-03 -2.325e-03 / + CHEB/ 3.924e+01 5.490e-03 3.166e-03 1.319e-03 / + CHEB/ -6.156e-01 -8.501e-04 -5.624e-04 -2.971e-04 / + CHEB/ -3.480e-01 1.069e-04 2.607e-05 -2.186e-05 / + CHEB/ -2.616e-02 -1.845e-04 -1.187e-04 -6.246e-05 / + CHEB/ 3.759e-03 -4.982e-04 -2.549e-04 -7.850e-05 / + +! Reaction index: Chemkin #1878; RMG #7447 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O[CH]OO(1038)+[O]C(O)O(972)<=>HO2CHO(68)+OC(O)O(1039) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #1879; RMG #7448 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); O[CH]OO(1038), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[CH]OO(1038)+O[C](O)O(1021)<=>HO2CHO(68)+OC(O)O(1039) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #1880; RMG #7451 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]OC(O)O(973); [O]C(O)OO(975), OOC(O)O(1086); +! Estimated using template [O/H/NonDeO;O_sec_rad] for rate rule [O/H/NonDeO;O_rad/NonDeC] +! Euclidian distance = 1.0 +! family: H_Abstraction +[O]C(O)OO(975)+OOC(O)O(1086)<=>[O]OC(O)O(973)+OOC(O)O(1086) 4.331279e+00 3.368 14.279 + +! Reaction index: Chemkin #1881; RMG #7452 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]OC(O)O(973); OO[C](O)O(1010), OOC(O)O(1086); +! Estimated using template [O/H/NonDeO;C_rad/NDMustO] for rate rule [O/H/NonDeO;C_rad/O3] +! Euclidian distance = 1.0 +! family: H_Abstraction +OO[C](O)O(1010)+OOC(O)O(1086)<=>[O]OC(O)O(973)+OOC(O)O(1086) 6.185125e-09 5.735 -3.069 + +! Reaction index: Chemkin #1882; RMG #4 +! Library reaction: primaryH2O2 +! Flux pairs: H2(6), H(5); He(15), He(15); He(15), H(5); +He(15)+H2(6)<=>He(15)+H(5)+H(5) 5.840000e+18 -1.100 104.380 + +! Reaction index: Chemkin #1883; RMG #20 +! Library reaction: primaryH2O2 +! Flux pairs: O(16), O2(2); He(15), He(15); O(16), He(15); +He(15)+O(16)+O(16)<=>He(15)+O2(2) 1.886000e+13 0.000 -1.788 + +! Reaction index: Chemkin #1884; RMG #38 +! Library reaction: primaryH2O2 +He(15)+O(16)+O2(2)<=>He(15)+O3(19) 4.290000e+17 -1.500 0.000 +DUPLICATE +! Reaction index: Chemkin #1885; RMG #38 +! Library reaction: primaryH2O2 +He(15)+O(16)+O2(2)<=>He(15)+O3(19) 5.100000e+21 -3.200 0.000 +DUPLICATE + + +! Reaction index: Chemkin #1886; RMG #3398 +! Library reaction: FFCM1(-) +! Flux pairs: CH2(S)(22), CH2(21); He(15), He(15); +He(15)+CH2(S)(22)<=>He(15)+CH2(21) 6.620000e+12 0.000 0.755 + +! Reaction index: Chemkin #1887; RMG #7453 +! Template reaction: H_Abstraction +! Flux pairs: C2H3O(1084), CH2CHOH(48); H2(6), H(5); +! Estimated using template [H2;Cd_sec_rad] for rate rule [H2;Cd_rad/NonDeO] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H2(6)+C2H3O(1084)<=>H(5)+CH2CHOH(48) 2.382924e-02 4.340 7.122 + +! Reaction index: Chemkin #1888; RMG #372 +! Library reaction: NOx2018 +! Flux pairs: CH3CH2O(41), CH2O(12); CH3CH2O(41), CH3(7); +! Reaction library: 'NOx2018' +CH3CH2O(41)(+M)<=>CH2O(12)+CH3(7)(+M) 6.300e+10 0.930 17.098 + + LOW/ 4.700e+25 0.930 16.532 / + TROE/ 4.260e-01 0.3 2.28e+03 1e+05 / + +! Reaction index: Chemkin #1889; RMG #374 +! Library reaction: NOx2018 +! Flux pairs: CH3CH2O(41), CH2OH(26); H(5), CH3(7); +H(5)+CH3CH2O(41)(+M)<=>CH3(7)+CH2OH(26)(+M) 2.600e+18 -1.050 5.128 + + LOW/ 3.000e+11 0.893 0.017 / + +! Reaction index: Chemkin #1890; RMG #375 +! Library reaction: NOx2018 +! Flux pairs: CH3CH2O(41), CH3CHO(40); H(5), H2(6); +H(5)+CH3CH2O(41)<=>H2(6)+CH3CHO(40) 7.500000e+09 1.150 0.673 + +! Reaction index: Chemkin #1891; RMG #376 +! Library reaction: NOx2018 +! Flux pairs: CH3CH2O(41), CH3CHO(40); OH(3), H2O(17); +OH(3)+CH3CH2O(41)<=>H2O(17)+CH3CHO(40) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #1892; RMG #377 +! Library reaction: NOx2018 +! Flux pairs: CH3CH2O(41), CH3CHO(40); O2(2), HO2(4); +O2(2)+CH3CH2O(41)<=>HO2(4)+CH3CHO(40) 1.500000e+10 0.000 0.645 + +! Reaction index: Chemkin #1893; RMG #7454 +! PDep reaction: PDepNetwork #272 +! Flux pairs: H(5), CH3CH2O(41); CH3CHO(40), CH3CH2O(41); +H(5)+CH3CHO(40)(+M)<=>CH3CH2O(41)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.073e+00 1.205e+00 -1.212e-01 -1.827e-02 / + CHEB/ 1.897e+00 3.467e-01 1.150e-01 5.156e-03 / + CHEB/ -9.682e-02 -2.109e-02 1.035e-02 1.219e-02 / + CHEB/ 4.776e-02 -2.800e-02 -1.230e-02 -1.266e-03 / + CHEB/ 4.398e-02 -2.895e-03 -3.610e-03 -2.245e-03 / + CHEB/ 9.797e-03 4.313e-03 1.620e-03 -6.923e-05 / + +! Reaction index: Chemkin #1894; RMG #6940 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+CH3CH2O(41)<=>FA(1)+CH3CHO(40) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1895; RMG #6942 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+CH3CH2O(41)<=>FA(1)+CH3CHO(40) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1896; RMG #6947 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O(16)+CH3CH2O(41)<=>OH(3)+CH3CHO(40) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1897; RMG #6957 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+CH3CH2O(41)<=>CH2O(12)+CH3CHO(40) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1898; RMG #6965 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+CH3CH2O(41)<=>CH2O3(1000)+CH3CHO(40) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1899; RMG #6971 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +CH3(7)+CH3CH2O(41)<=>CH4(20)+CH3CHO(40) 1.191692e+10 0.568 0.000 + +! Reaction index: Chemkin #1900; RMG #7013 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HO2(4)+CH3CH2O(41)<=>H2O2(18)+CH3CHO(40) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1901; RMG #7015 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3O(27)+CH3CH2O(41)<=>CH3OH(25)+CH3CHO(40) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1902; RMG #7017 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+CH3CH2O(41)<=>CH3OH(25)+CH3CHO(40) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1903; RMG #7019 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); CH3CH2O(41), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +C2HO3(993)+CH3CH2O(41)<=>C2H2O3(977)+CH3CHO(40) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #1904; RMG #7021 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); CH3CH2O(41), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C2HO3(991)+CH3CH2O(41)<=>C2H2O3(977)+CH3CHO(40) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #1905; RMG #7061 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); CH3CH2O(41), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +OCHCO(63)+CH3CH2O(41)<=>OCHCHO(52)+CH3CHO(40) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #1906; RMG #7067 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+CH3CH2O(41)<=>OCO(1022)+CH3CHO(40) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1907; RMG #7069 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+CH3CH2O(41)<=>OCO(1022)+CH3CHO(40) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1908; RMG #7071 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); [O]C(O)O(972), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C(O)O(972)+CH3CH2O(41)<=>OC(O)O(1039)+CH3CHO(40) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1909; RMG #7073 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +O[C](O)O(1021)+CH3CH2O(41)<=>OC(O)O(1039)+CH3CHO(40) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #1910; RMG #7455 +! PDep reaction: PDepNetwork #272 +! Flux pairs: CH3CHO(40), CH3O(27); H(5), CH2(S)(22); +H(5)+CH3CHO(40)(+M)<=>CH2(S)(22)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.442e+01 -5.381e-04 -3.322e-04 -1.583e-04 / + CHEB/ 3.022e+01 -3.973e-05 -2.449e-05 -1.163e-05 / + CHEB/ -1.275e-01 -1.333e-04 -8.223e-05 -3.913e-05 / + CHEB/ -4.891e-02 -1.218e-04 -7.518e-05 -3.578e-05 / + CHEB/ -1.520e-02 -6.053e-05 -3.734e-05 -1.777e-05 / + CHEB/ -4.499e-03 -1.769e-05 -1.091e-05 -5.181e-06 / + +! Reaction index: Chemkin #1911; RMG #7460 +! Template reaction: H_Abstraction +! Flux pairs: OC1OO1(1047), O[C]1OO1(1008); H(5), H2(6); +! Estimated using template [C/H/NDMustO;H_rad] for rate rule [C/H/O3;H_rad] +! Euclidian distance = 1.0 +! family: H_Abstraction +H(5)+OC1OO1(1047)<=>H2(6)+O[C]1OO1(1008) 4.140000e+05 2.340 2.680 + +! Reaction index: Chemkin #1912; RMG #7462 +! PDep reaction: PDepNetwork #195 +! Flux pairs: CH2OH(26), HOCH2O(38); O2(2), O(16); +O2(2)+CH2OH(26)(+M)<=>O(16)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.537e+00 -1.395e-01 -7.252e-02 -2.397e-02 / + CHEB/ 7.974e+00 1.572e-01 7.778e-02 2.237e-02 / + CHEB/ 1.669e-01 -1.406e-02 -2.927e-03 2.551e-03 / + CHEB/ 5.305e-02 -1.232e-02 -7.159e-03 -2.794e-03 / + CHEB/ 1.654e-02 -2.366e-03 -1.791e-03 -1.106e-03 / + CHEB/ 6.333e-03 1.588e-03 7.294e-04 1.238e-04 / + +! Reaction index: Chemkin #1913; RMG #7470 +! PDep reaction: PDepNetwork #3 +! Flux pairs: CH3CH2O(41), CH2(S)(22); CH3CH2O(41), CH3O(27); +CH3CH2O(41)(+M)<=>CH2(S)(22)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.404e+01 1.520e+00 -3.455e-04 -1.646e-04 / + CHEB/ 3.518e+01 -7.456e-05 -4.598e-05 -2.185e-05 / + CHEB/ 2.680e-05 -1.586e-04 -9.784e-05 -4.655e-05 / + CHEB/ 4.365e-02 -1.391e-04 -8.582e-05 -4.084e-05 / + CHEB/ 2.135e-02 -7.127e-05 -4.397e-05 -2.091e-05 / + CHEB/ -5.404e-03 -2.352e-05 -1.450e-05 -6.887e-06 / + +! Reaction index: Chemkin #1914; RMG #7474 +! Template reaction: H_Abstraction +! Flux pairs: CH3OH(25), CH3O(27); OCHO(11), FA(1); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/NonDeC;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+CH3OH(25)<=>FA(1)+CH3O(27) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #1915; RMG #7477 +! Template reaction: H_Abstraction +! Flux pairs: OCHO(11), FA(1); CH3(7), CH2(21); +! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;O_rad/OneDeC] for rate rule [CH3_rad_H;O_rad/OneDeC] +! Euclidian distance = 3.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +OCHO(11)+CH3(7)<=>CH2(21)+FA(1) 1.922043e-03 4.528 18.843 + +! Reaction index: Chemkin #1916; RMG #7478 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); HCCO(53), CH2CO(30); +! Estimated using template [CO/H/NonDe;Cd_rad] for rate rule [CO/H/NonDe;Cd_Cdd_rad/H] +! Euclidian distance = 2.0 +! family: H_Abstraction +FA(1)+HCCO(53)<=>HOCO(10)+CH2CO(30) 8.130000e+10 0.000 3.680 + +! Reaction index: Chemkin #1917; RMG #756 +! Library reaction: CurranPentane +! Flux pairs: HOCH2OCO(96), CO2(9); HOCH2OCO(96), CH2OH(26); +HOCH2OCO(96)<=>CO2(9)+CH2OH(26) 1.117000e+17 -1.526 20.772 + +! Reaction index: Chemkin #1918; RMG #757 +! Library reaction: CurranPentane +! Flux pairs: HOCH2OCO(96), CO(8); HOCH2OCO(96), HOCH2O(38); +HOCH2OCO(96)<=>CO(8)+HOCH2O(38) 2.920000e+18 -1.965 19.619 + +! Reaction index: Chemkin #1919; RMG #4546 +! PDep reaction: PDepNetwork #24 +! Flux pairs: FA(1), HOCH2OCO(96); CH2O(12), H(5); +CH2O(12)+FA(1)(+M)<=>H(5)+HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.504e+01 -1.095e+00 -9.052e-02 1.219e-02 / + CHEB/ 2.691e+01 5.765e-01 -6.329e-02 -1.244e-02 / + CHEB/ -2.152e-01 2.689e-01 1.546e-02 -1.764e-02 / + CHEB/ -2.095e-01 6.648e-02 3.404e-02 -6.152e-03 / + CHEB/ -1.419e-01 -1.699e-02 2.011e-02 3.472e-03 / + CHEB/ -6.791e-02 -2.854e-02 3.585e-03 5.221e-03 / + +! Reaction index: Chemkin #1920; RMG #7610 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), HCO(13); HOCH2OCO(96), FA(1); +HOCH2OCO(96)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.059e+00 3.176e-02 -1.052e-01 -1.941e-02 / + CHEB/ 1.211e+01 4.840e-01 2.372e-02 2.325e-02 / + CHEB/ -1.717e-01 1.470e-01 -6.345e-02 -4.445e-03 / + CHEB/ -1.030e-01 1.327e-01 -1.054e-02 -8.236e-03 / + CHEB/ -6.616e-02 4.003e-02 2.021e-03 -2.991e-03 / + CHEB/ -2.002e-02 9.677e-03 8.439e-03 -1.043e-03 / + +! Reaction index: Chemkin #1921; RMG #6204 +! PDep reaction: PDepNetwork #186 +! Flux pairs: H(5), HOCH2OCO(96); C2H2O3(976), HOCH2OCO(96); +H(5)+C2H2O3(976)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.755e+00 1.501e-01 -1.105e-01 -1.892e-02 / + CHEB/ 5.721e+00 6.307e-01 2.777e-03 1.956e-02 / + CHEB/ 1.661e-01 2.276e-01 -5.971e-02 -1.176e-02 / + CHEB/ -5.165e-02 1.427e-01 8.052e-03 -1.089e-02 / + CHEB/ -5.277e-03 1.615e-02 1.599e-02 -2.916e-03 / + CHEB/ 9.045e-03 -1.513e-02 1.303e-02 9.240e-04 / + +! Reaction index: Chemkin #1922; RMG #7608 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), CO(8); HOCH2OCO(96), O[CH]O(970); +HOCH2OCO(96)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.054e+01 -4.453e-01 -3.205e-01 -4.599e-02 / + CHEB/ 1.523e+01 1.325e+00 1.247e-01 6.171e-03 / + CHEB/ 2.086e-01 1.830e-01 -8.353e-03 4.644e-03 / + CHEB/ -1.094e-01 8.472e-02 1.089e-02 -2.204e-03 / + CHEB/ -1.322e-02 -6.824e-03 1.645e-02 -4.888e-03 / + CHEB/ 1.603e-02 -1.259e-02 1.535e-02 1.129e-03 / + +! Reaction index: Chemkin #1923; RMG #7564 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), C2H3O3(1011); +HOCH2OCO(96)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.844e+00 1.527e+00 -1.022e-01 -1.981e-02 / + CHEB/ 1.107e+01 4.502e-01 3.140e-02 2.343e-02 / + CHEB/ -1.118e-01 1.273e-01 -6.060e-02 -3.175e-03 / + CHEB/ -6.515e-02 1.277e-01 -1.238e-02 -7.506e-03 / + CHEB/ -2.527e-02 4.429e-02 -6.777e-04 -2.700e-03 / + CHEB/ -5.070e-02 1.616e-02 6.832e-03 -1.212e-03 / + +! Reaction index: Chemkin #1924; RMG #7482 +! Template reaction: H_Abstraction +! Flux pairs: OCHCHO(52), OCHCO(63); OCHO(11), FA(1); +! Estimated using average of templates [CO_H;O_rad/OneDe] + [CO_sec;O_sec_rad] for rate rule [CO/H/OneDe;O_rad/OneDeC] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OCHO(11)+OCHCHO(52)<=>FA(1)+OCHCO(63) 2.710567e+02 3.086 11.789 + +! Reaction index: Chemkin #1925; RMG #7483 +! Template reaction: H_Abstraction +! Flux pairs: OCHCHO(52), OCHCO(63); HOCO(10), FA(1); +! Estimated using template [CO_H;CO_rad/NonDe] for rate rule [CO/H/OneDe;CO_rad/NonDe] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HOCO(10)+OCHCHO(52)<=>FA(1)+OCHCO(63) 1.810000e+11 0.000 12.920 + +! Reaction index: Chemkin #1926; RMG #7484 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), OCHCO(63); OCHO(11), FA(1); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/OneDeC;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+C2H2O2(1030)<=>FA(1)+OCHCO(63) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #1927; RMG #7485 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), OCHCO(63); HOCO(10), FA(1); +! Estimated using template [O_sec;CO_rad/NonDe] for rate rule [O/H/OneDeC;CO_rad/NonDe] +! Euclidian distance = 2.0 +! family: H_Abstraction +HOCO(10)+C2H2O2(1030)<=>FA(1)+OCHCO(63) 1.582731e-04 4.663 41.320 + +! Reaction index: Chemkin #1928; RMG #7486 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), HCCO(53); CHCHO(51), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+CHCHO(51)<=>FA(1)+HCCO(53) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1929; RMG #7487 +! Template reaction: Disproportionation +! Flux pairs: CHCHO(51), HCCO(53); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+CHCHO(51)<=>FA(1)+HCCO(53) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1930; RMG #7490 +! Template reaction: H_Abstraction +! Flux pairs: CH2CO(30), HCCO(53); OCHO(11), FA(1); +! Estimated using an average for rate rule [Cd_Cdd/H2;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OCHO(11)+CH2CO(30)<=>FA(1)+HCCO(53) 8.400000e-03 4.360 24.679 + +! Reaction index: Chemkin #1931; RMG #7493 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), FA(1); C2HO3(1015), C2O3(1069); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2HO3(1015)<=>FA(1)+C2O3(1069) 3.620000e+13 0.000 0.080 + +! Reaction index: Chemkin #1932; RMG #7494 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2O3(1069); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2HO3(1028)<=>FA(1)+C2O3(1069) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1933; RMG #7495 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1015), C2O3(1069); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS +HOCO(10)+C2HO3(1015)<=>FA(1)+C2O3(1069) 7.381120e+13 -0.000 0.000 + +! Reaction index: Chemkin #1934; RMG #7496 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2O3(1069); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +HOCO(10)+C2HO3(1028)<=>FA(1)+C2O3(1069) 4.820000e+11 0.000 0.150 + +! Reaction index: Chemkin #1935; RMG #7497 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1070), C2HO2(1001); O(16), OH(3); +! Estimated using template [C_sec;O_atom_triplet] for rate rule [C/H2/OneDeO;O_atom_triplet] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +O(16)+C2H2O2(1070)<=>OH(3)+C2HO2(1001) 1.289969e+04 2.830 7.497 + +! Reaction index: Chemkin #1936; RMG #7502 +! Template reaction: H_Abstraction +! Flux pairs: CH2CHO(45), CHCHO(51); O(16), OH(3); +! From training reaction 342 used for Cd/H2/NonDeC;O_atom_triplet +! Exact match found for rate rule [Cd/H2/NonDeC;O_atom_triplet] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +O(16)+CH2CHO(45)<=>OH(3)+CHCHO(51) 7.560000e+06 1.910 27.820 + +! Reaction index: Chemkin #1937; RMG #7507 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); O[C]1CO1(1093), C2H2O2(1070); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C +O(16)+O[C]1CO1(1093)<=>OH(3)+C2H2O2(1070) 1.990160e+14 -0.226 0.000 + +! Reaction index: Chemkin #1938; RMG #7508 +! Template reaction: Disproportionation +! Flux pairs: [O]C1CO1(1094), C2H2O2(1070); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +O(16)+[O]C1CO1(1094)<=>OH(3)+C2H2O2(1070) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1939; RMG #7510 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1024), C2H3O2(1088); O(16), OH(3); +! Estimated using template [C/H3/OneDe;O_atom_triplet] for rate rule [C/H3/CO;O_atom_triplet] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +O(16)+C2H4O2(1024)<=>OH(3)+C2H3O2(1088) 7.880000e-03 4.293 11.251 + +! Reaction index: Chemkin #1940; RMG #7515 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O(16)+C2H3O2(1042)<=>OH(3)+C2H2O2(1030) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1941; RMG #7522 +! Template reaction: H_Abstraction +! Flux pairs: H2O2(18), HO2(4); CH2(21), CH3(7); +! Estimated using template [O/H/NonDeO;Y_1centerbirad] for rate rule [H2O2;CH2_triplet] +! Euclidian distance = 1.4142135623730951 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H2O2(18)+CH2(21)<=>HO2(4)+CH3(7) 1.740000e+13 0.000 4.750 + +! Reaction index: Chemkin #1942; RMG #7532 +! Template reaction: H_Abstraction +! Flux pairs: CH2O3(1000), CHO3(986); CH2(21), CH3(7); +! Estimated using template [O/H/OneDeC;Y_1centerbirad] for rate rule [O/H/OneDeC;CH2_triplet] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2(21)+CH2O3(1000)<=>CHO3(986)+CH3(7) 3.400000e+08 1.500 4.130 + +! Reaction index: Chemkin #1943; RMG #7534 +! Template reaction: Disproportionation +! Flux pairs: CH2(21), CH3(7); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +CH2(21)+[O]C#CO(1004)<=>CH3(7)+C2O2(1002) 1.210000e+12 0.000 1.554 + +! Reaction index: Chemkin #1944; RMG #7535 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); CH2(21), CH3(7); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2(21)+OCHCO(63)<=>CH3(7)+C2O2(1002) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1945; RMG #7546 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); C2HO3(990), C2H2O3(976); +! Estimated using an average for rate rule [CO_pri;CO_rad/NonDe] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(12)+C2HO3(990)<=>HCO(13)+C2H2O3(976) 1.810000e+11 0.000 12.920 + +! Reaction index: Chemkin #1946; RMG #7547 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); [O]C(O)O(972), OC(O)O(1039); +! From training reaction 368 used for CO_pri;O_rad/NonDeC +! Exact match found for rate rule [CO_pri;O_rad/NonDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(12)+[O]C(O)O(972)<=>HCO(13)+OC(O)O(1039) 1.020000e+11 0.000 2.980 + +! Reaction index: Chemkin #1947; RMG #7548 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); O[C](O)O(1021), OC(O)O(1039); +! Estimated using template [CO_pri;C_rad/NonDe] for rate rule [CO_pri;C_rad/O3] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(12)+O[C](O)O(1021)<=>HCO(13)+OC(O)O(1039) 3.260000e+09 0.000 3.560 + +! Reaction index: Chemkin #1948; RMG #7549 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); cC2H3O(61), C2H2O(1085); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OH(3)+cC2H3O(61)<=>H2O(17)+C2H2O(1085) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1949; RMG #7554 +! Template reaction: H_Abstraction +! Flux pairs: CHO3(986), CH2O3(1000); CH3OH(25), CH3O(27); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/NonDeC;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+CH3OH(25)<=>CH2O3(1000)+CH3O(27) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #1950; RMG #7555 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +CH3O(27)+[O]C#CO(1004)<=>CH3OH(25)+C2O2(1002) 2.410000e+13 0.000 2.729 + +! Reaction index: Chemkin #1951; RMG #7556 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +CH3O(27)+OCHCO(63)<=>CH3OH(25)+C2O2(1002) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #1952; RMG #7557 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2O2(1002); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +CH2OH(26)+[O]C#CO(1004)<=>CH3OH(25)+C2O2(1002) 4.820000e+12 0.000 4.166 + +! Reaction index: Chemkin #1953; RMG #7558 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2OH(26)+OCHCO(63)<=>CH3OH(25)+C2O2(1002) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #1954; RMG #7559 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), O-2(1040); C2HO3(1068), C2HO2(1001); +C2HO3(1068)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.042e+01 1.518e+00 -1.755e-03 -8.324e-04 / + CHEB/ 3.193e+01 2.486e-03 1.529e-03 7.230e-04 / + CHEB/ -4.802e-02 -4.546e-04 -2.781e-04 -1.301e-04 / + CHEB/ -7.241e-02 2.511e-04 1.540e-04 7.237e-05 / + CHEB/ -4.311e-02 -1.901e-07 3.913e-07 6.630e-07 / + CHEB/ -2.409e-02 1.530e-04 9.378e-05 4.406e-05 / + +! Reaction index: Chemkin #1955; RMG #7560 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), O(16); C2HO3(1068), O1[C]2OC12(1049); +C2HO3(1068)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.831e+01 1.518e+00 -1.799e-03 -8.531e-04 / + CHEB/ 3.102e+01 2.567e-03 1.579e-03 7.463e-04 / + CHEB/ 3.771e-02 -4.684e-04 -2.865e-04 -1.340e-04 / + CHEB/ -5.184e-02 2.583e-04 1.584e-04 7.438e-05 / + CHEB/ -4.326e-02 -1.610e-06 -4.526e-07 2.913e-07 / + CHEB/ -2.898e-02 1.566e-04 9.601e-05 4.508e-05 / + +! Reaction index: Chemkin #1956; RMG #7590 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), O-2(1040); C2HO3(1068), OCHCO(63); +C2HO3(1068)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.072e+01 1.511e+00 -5.555e-03 -2.118e-03 / + CHEB/ 3.053e+01 9.147e-03 5.013e-03 1.857e-03 / + CHEB/ 5.385e-02 -7.425e-04 -4.784e-04 -2.402e-04 / + CHEB/ -3.192e-01 4.966e-04 3.025e-04 1.386e-04 / + CHEB/ -9.943e-02 3.455e-04 2.132e-04 9.868e-05 / + CHEB/ 2.480e-02 -2.474e-04 -8.865e-05 8.994e-06 / + +! Reaction index: Chemkin #1957; RMG #7591 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), O(16); C2HO3(1068), C2HO2(1001); +C2HO3(1068)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.414e+01 1.360e+00 -5.860e-02 -2.755e-03 / + CHEB/ 1.810e+01 1.403e-01 4.602e-02 -2.211e-03 / + CHEB/ -3.802e-02 2.066e-02 9.073e-03 1.301e-03 / + CHEB/ -1.045e-01 3.774e-03 2.329e-03 1.042e-03 / + CHEB/ -6.066e-02 -1.007e-02 -1.854e-03 1.465e-03 / + CHEB/ -2.504e-02 -1.060e-03 1.697e-04 5.682e-04 / + +! Reaction index: Chemkin #1958; RMG #7596 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), O(16); C2HO3(1068), OCHCO(63); +C2HO3(1068)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.065e+01 1.191e+00 -1.322e-01 -2.094e-02 / + CHEB/ 1.580e+01 2.564e-01 9.028e-02 5.297e-03 / + CHEB/ -1.647e-01 3.870e-02 1.830e-02 3.967e-03 / + CHEB/ -2.142e-01 7.375e-03 3.587e-03 1.134e-03 / + CHEB/ -1.282e-01 -9.770e-03 -4.001e-04 2.260e-03 / + CHEB/ -6.299e-02 -3.102e-03 -3.480e-04 7.023e-04 / + +! Reaction index: Chemkin #1959; RMG #7598 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), O(16); C2HO3(1068), [O]C#CO(1004); +C2HO3(1068)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.379e+01 1.438e+00 -4.225e-02 -1.332e-02 / + CHEB/ 2.181e+01 7.111e-02 3.561e-02 1.076e-02 / + CHEB/ -1.894e-01 8.863e-03 4.017e-03 8.736e-04 / + CHEB/ -1.908e-01 1.832e-03 9.251e-04 2.729e-04 / + CHEB/ -9.848e-02 -4.256e-03 -1.522e-03 2.381e-05 / + CHEB/ -5.551e-02 -6.655e-04 -3.026e-05 2.269e-04 / + +! Reaction index: Chemkin #1960; RMG #7599 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), O-2(1040); C2HO3(1068), [O]C#CO(1004); +C2HO3(1068)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.147e+01 1.518e+00 -1.888e-03 -8.937e-04 / + CHEB/ 3.695e+01 2.401e-03 1.482e-03 7.057e-04 / + CHEB/ 2.061e-01 -5.215e-04 -3.197e-04 -1.502e-04 / + CHEB/ -1.263e-02 2.781e-04 1.676e-04 7.611e-05 / + CHEB/ -7.508e-02 9.489e-05 5.504e-05 2.304e-05 / + CHEB/ -9.288e-02 2.174e-04 1.315e-04 6.014e-05 / + +! Reaction index: Chemkin #1961; RMG #7617 +! PDep reaction: PDepNetwork #302 +! Flux pairs: CH3CO(47), CH3CO2(73); OH(3), H(5); +OH(3)+CH3CO(47)(+M)<=>H(5)+CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.712e+00 -5.984e-01 -1.391e-01 5.586e-03 / + CHEB/ 2.495e+00 6.146e-01 9.245e-02 -2.878e-02 / + CHEB/ 4.533e-01 5.642e-02 6.418e-02 1.504e-02 / + CHEB/ 5.779e-02 -5.231e-02 -1.672e-03 1.213e-02 / + CHEB/ 7.931e-04 -2.976e-02 -1.599e-02 -1.224e-03 / + CHEB/ -1.482e-03 -5.638e-03 -7.365e-03 -4.182e-03 / + +! Reaction index: Chemkin #1962; RMG #7619 +! PDep reaction: PDepNetwork #302 +! Flux pairs: CH3CO(47), C2H3O2(1088); OH(3), H(5); +OH(3)+CH3CO(47)(+M)<=>H(5)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.093e+01 -7.161e-01 -1.323e-01 1.172e-02 / + CHEB/ 1.194e+00 6.728e-01 5.712e-02 -3.398e-02 / + CHEB/ 3.686e-01 1.175e-01 7.622e-02 5.332e-03 / + CHEB/ 6.970e-02 -4.289e-02 1.468e-02 1.535e-02 / + CHEB/ 1.761e-03 -4.080e-02 -1.370e-02 3.929e-03 / + CHEB/ -3.741e-03 -1.348e-02 -1.144e-02 -3.399e-03 / + +! Reaction index: Chemkin #1963; RMG #7626 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), C2H2O3(1031); OH(3), H(5); +OH(3)+C2H2O2(1030)(+M)<=>H(5)+C2H2O3(1031)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.311e+00 -2.996e-01 -1.206e-01 -2.044e-02 / + CHEB/ 3.724e+00 3.553e-01 1.239e-01 7.052e-03 / + CHEB/ 1.035e+00 -5.528e-02 1.426e-03 1.515e-02 / + CHEB/ 2.548e-01 -2.303e-02 -1.707e-02 -5.707e-03 / + CHEB/ 6.023e-02 -5.062e-03 -3.934e-03 -3.058e-03 / + CHEB/ 2.647e-02 4.376e-03 1.995e-03 2.255e-04 / + +! Reaction index: Chemkin #1964; RMG #7631 +! PDep reaction: PDepNetwork #315 +! Flux pairs: C2HO2(1001), CH2CO(30); H(5), O-2(1040); +H(5)+C2HO2(1001)(+M)<=>O-2(1040)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.747e+00 -1.031e-02 -6.306e-03 -2.946e-03 / + CHEB/ 1.549e+01 9.902e-03 6.031e-03 2.796e-03 / + CHEB/ 5.053e-03 -1.038e-04 -4.358e-05 -1.838e-06 / + CHEB/ 3.592e-02 -1.249e-04 -7.737e-05 -3.707e-05 / + CHEB/ 1.808e-02 -1.704e-04 -1.049e-04 -4.964e-05 / + CHEB/ -8.018e-03 -1.099e-04 -6.769e-05 -3.209e-05 / + +! Reaction index: Chemkin #1965; RMG #9141 +! PDep reaction: PDepNetwork #367 +! Flux pairs: [O]C#CO(1004), C2HO3(993); OH(3), H(5); +OH(3)+[O]C#CO(1004)(+M)<=>H(5)+C2HO3(993)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.576e+00 -2.694e-01 -1.192e-01 -2.606e-02 / + CHEB/ 3.222e+00 2.841e-01 1.137e-01 1.562e-02 / + CHEB/ 8.921e-01 1.020e-02 1.722e-02 1.253e-02 / + CHEB/ 1.188e-01 -2.263e-02 -9.040e-03 -2.992e-04 / + CHEB/ -5.626e-02 -1.056e-02 -6.857e-03 -3.003e-03 / + CHEB/ -5.390e-02 -2.078e-03 -1.953e-03 -1.420e-03 / + +! Reaction index: Chemkin #1966; RMG #10101 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), CHCHO(51); CH2(21), H(5); +HCO(13)+CH2(21)(+M)<=>H(5)+CHCHO(51)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.284e+00 -2.231e-03 -1.345e-03 -6.116e-04 / + CHEB/ 3.514e+00 -2.026e-03 -1.230e-03 -5.677e-04 / + CHEB/ 8.669e-01 5.386e-04 3.016e-04 1.155e-04 / + CHEB/ 2.098e-01 5.124e-04 2.943e-04 1.202e-04 / + CHEB/ 2.192e-02 -3.934e-04 -2.333e-04 -1.024e-04 / + CHEB/ -2.578e-02 -6.019e-04 -3.545e-04 -1.534e-04 / + +! Reaction index: Chemkin #1967; RMG #7649 +! PDep reaction: PDepNetwork #319 +! Flux pairs: CHCHO(51), C2H2O(1085); H(5), H(5); +H(5)+CHCHO(51)(+M)<=>H(5)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.128e+00 -1.112e-01 -3.616e-02 -6.905e-03 / + CHEB/ 1.140e+01 -1.796e-01 -5.255e-02 -7.660e-03 / + CHEB/ -1.187e-01 -8.829e-02 -1.338e-02 2.908e-03 / + CHEB/ -4.327e-01 -6.818e-03 1.588e-02 7.948e-03 / + CHEB/ -3.131e-01 3.455e-02 2.347e-02 5.579e-03 / + CHEB/ -1.534e-01 3.903e-02 1.540e-02 1.512e-04 / + +! Reaction index: Chemkin #1968; RMG #7660 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), HOCO(10); H(5), CH2(21); +H(5)+C2H2O2(1070)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.644e-01 -1.652e-01 -8.044e-02 -2.309e-02 / + CHEB/ 1.238e+01 2.051e-01 9.380e-02 2.199e-02 / + CHEB/ -8.570e-03 -4.223e-02 -1.260e-02 2.431e-03 / + CHEB/ -2.153e-02 -1.208e-02 -9.022e-03 -4.572e-03 / + CHEB/ -2.174e-02 2.046e-03 4.951e-04 -5.169e-04 / + CHEB/ -1.550e-02 1.961e-03 1.345e-03 6.855e-04 / + +! Reaction index: Chemkin #1969; RMG #7662 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), C2H3O(1084); H(5), O(16); +H(5)+C2H2O2(1070)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.689e+01 -2.607e-02 -1.550e-02 -6.851e-03 / + CHEB/ 2.427e+01 3.045e-02 1.791e-02 7.746e-03 / + CHEB/ -1.043e-01 -5.287e-03 -2.932e-03 -1.106e-03 / + CHEB/ -2.575e-02 -1.818e-03 -1.142e-03 -5.577e-04 / + CHEB/ -5.493e-03 2.621e-04 1.390e-04 4.527e-05 / + CHEB/ -2.326e-03 2.934e-04 1.826e-04 8.800e-05 / + +! Reaction index: Chemkin #1970; RMG #7663 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), CH3CO(47); H(5), O(16); +H(5)+C2H2O2(1070)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.626e+00 -2.566e-01 -1.339e-01 -4.481e-02 / + CHEB/ 1.486e+01 2.977e-01 1.487e-01 4.411e-02 / + CHEB/ -2.806e-02 -3.506e-02 -1.014e-02 3.157e-03 / + CHEB/ -1.105e-02 -1.588e-02 -1.019e-02 -4.630e-03 / + CHEB/ -1.210e-02 -2.262e-03 -1.767e-03 -1.187e-03 / + CHEB/ -9.611e-03 3.807e-04 2.024e-04 5.108e-05 / + +! Reaction index: Chemkin #1971; RMG #7664 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), OCHO(11); H(5), CH2(S)(22); +H(5)+C2H2O2(1070)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.073e+01 -1.780e-01 -6.385e-02 -2.828e-03 / + CHEB/ 1.977e+01 9.837e-02 1.665e-02 -1.520e-02 / + CHEB/ 9.401e-03 3.859e-02 1.972e-02 4.376e-03 / + CHEB/ 4.664e-03 2.587e-03 5.836e-03 4.809e-03 / + CHEB/ -1.451e-03 -5.260e-03 -6.814e-04 1.579e-03 / + CHEB/ -5.520e-03 -2.074e-03 -1.153e-03 -2.105e-04 / + +! Reaction index: Chemkin #1972; RMG #7665 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), CH2CHO(45); H(5), O-2(1040); +H(5)+C2H2O2(1070)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.773e+01 -5.758e-02 -2.949e-02 -9.168e-03 / + CHEB/ 3.148e+01 4.977e-02 2.343e-02 5.416e-03 / + CHEB/ 1.841e-02 9.415e-03 6.327e-03 3.249e-03 / + CHEB/ 2.226e-02 -3.873e-03 -1.576e-03 -7.064e-05 / + CHEB/ 2.045e-02 -3.112e-03 -1.779e-03 -6.959e-04 / + CHEB/ 1.271e-02 -3.671e-04 -3.422e-04 -2.523e-04 / + +! Reaction index: Chemkin #1973; RMG #7666 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), cC2H3O(61); H(5), O(16); +H(5)+C2H2O2(1070)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.372e+01 -7.671e-02 -3.718e-02 -9.893e-03 / + CHEB/ 2.881e+01 6.356e-02 2.739e-02 4.219e-03 / + CHEB/ 1.335e-01 1.532e-02 9.808e-03 4.574e-03 / + CHEB/ 6.503e-02 -3.900e-03 -1.038e-03 5.829e-04 / + CHEB/ 3.444e-02 -4.324e-03 -2.313e-03 -7.496e-04 / + CHEB/ 1.836e-02 -8.889e-04 -7.110e-04 -4.472e-04 / + +! Reaction index: Chemkin #1974; RMG #7668 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), CH2CHO(45); H(5), O(16); +H(5)+C2H2O2(1070)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.154e+01 -1.978e-01 -6.039e-02 4.021e-03 / + CHEB/ 1.806e+01 1.274e-01 1.653e-02 -2.036e-02 / + CHEB/ 3.605e-01 5.299e-02 2.689e-02 5.213e-03 / + CHEB/ 1.679e-01 8.373e-03 1.068e-02 7.144e-03 / + CHEB/ 8.986e-02 -3.203e-03 1.159e-03 2.824e-03 / + CHEB/ 5.716e-02 -1.351e-03 -9.023e-04 -6.555e-05 / + +! Reaction index: Chemkin #1975; RMG #7711 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), C2H2O2(1070); H(5), H(5); +H(5)+C2H2O2(1030)(+M)<=>H(5)+C2H2O2(1070)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.281e+00 -6.221e-01 -2.341e-02 2.034e-02 / + CHEB/ 6.657e+00 5.940e-01 -3.403e-02 -2.711e-02 / + CHEB/ 1.144e+00 1.754e-01 6.661e-02 -1.029e-02 / + CHEB/ 2.499e-01 -1.316e-01 -4.412e-03 1.409e-02 / + CHEB/ 2.206e-02 -7.406e-02 -2.084e-02 -1.300e-04 / + CHEB/ -1.156e-02 1.341e-02 2.304e-04 -1.370e-03 / + +! Reaction index: Chemkin #1976; RMG #7672 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), OCHO(11); H(5), CH2(21); +H(5)+C2H2O2(1070)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.239e+00 -4.320e-01 -1.703e-01 -2.572e-02 / + CHEB/ 1.751e+01 3.001e-01 8.752e-02 -8.376e-03 / + CHEB/ 1.940e-01 5.306e-02 3.080e-02 8.908e-03 / + CHEB/ 3.652e-02 -1.337e-02 7.827e-04 4.879e-03 / + CHEB/ -5.055e-03 -1.724e-02 -6.057e-03 4.579e-04 / + CHEB/ -1.314e-02 -5.335e-03 -3.132e-03 -9.231e-04 / + +! Reaction index: Chemkin #1977; RMG #7684 +! PDep reaction: PDepNetwork #323 +! Flux pairs: CH2CHO(45), C2H3O(1084); H(5), H(5); +H(5)+CH2CHO(45)(+M)<=>H(5)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.016e+00 -6.926e-01 -1.641e-01 8.680e-03 / + CHEB/ 7.179e+00 4.600e-01 6.984e-02 -2.551e-02 / + CHEB/ -1.278e-01 1.706e-01 4.855e-02 -4.320e-04 / + CHEB/ -1.128e-01 3.295e-02 2.079e-02 5.596e-03 / + CHEB/ -6.749e-02 -4.557e-03 3.984e-03 3.250e-03 / + CHEB/ -3.520e-02 -1.013e-02 -1.224e-03 1.024e-03 / + +! Reaction index: Chemkin #1978; RMG #7693 +! PDep reaction: PDepNetwork #324 +! Flux pairs: C2H3O2(1088), CH3CO2(73); H(5), H(5); +H(5)+C2H3O2(1088)(+M)<=>H(5)+CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.460e+00 -6.422e-01 -1.353e-01 8.927e-03 / + CHEB/ 4.504e+00 6.533e-01 8.180e-02 -3.186e-02 / + CHEB/ 2.043e-01 7.326e-02 7.116e-02 1.286e-02 / + CHEB/ 7.278e-03 -5.840e-02 1.637e-03 1.426e-02 / + CHEB/ -1.053e-02 -3.621e-02 -1.810e-02 -3.213e-04 / + CHEB/ -2.417e-03 -6.257e-03 -9.071e-03 -4.882e-03 / + +! Reaction index: Chemkin #1979; RMG #7706 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), CH2CHO(45); H(5), O(16); +H(5)+C2H2O2(1030)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.368e+00 -1.387e-02 -8.080e-03 -3.548e-03 / + CHEB/ 1.642e+01 1.096e-02 6.436e-03 2.873e-03 / + CHEB/ 2.534e-01 6.843e-04 2.898e-04 6.883e-05 / + CHEB/ 9.155e-02 -6.515e-04 -4.104e-04 -2.175e-04 / + CHEB/ 3.622e-02 -4.617e-04 -2.547e-04 -1.113e-04 / + CHEB/ 1.787e-02 -1.061e-04 -4.881e-05 -1.101e-05 / + +! Reaction index: Chemkin #1980; RMG #7708 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), OCHO(11); H(5), CH2(S)(22); +H(5)+C2H2O2(1030)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.082e+01 -1.883e-01 -6.946e-02 -5.002e-03 / + CHEB/ 1.860e+01 9.760e-02 1.706e-02 -1.430e-02 / + CHEB/ -2.107e-02 3.630e-02 1.851e-02 4.008e-03 / + CHEB/ -4.385e-02 1.638e-03 5.303e-03 4.587e-03 / + CHEB/ -2.614e-02 -5.676e-03 -8.726e-04 1.507e-03 / + CHEB/ -9.580e-03 -2.152e-03 -1.144e-03 -1.833e-04 / + +! Reaction index: Chemkin #1981; RMG #7709 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), CH2CHO(45); H(5), O-2(1040); +H(5)+C2H2O2(1030)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.800e+01 -5.951e-02 -3.066e-02 -9.721e-03 / + CHEB/ 3.021e+01 5.092e-02 2.415e-02 5.767e-03 / + CHEB/ -2.583e-03 8.774e-03 5.927e-03 3.054e-03 / + CHEB/ -2.378e-03 -3.842e-03 -1.563e-03 -6.923e-05 / + CHEB/ 7.277e-03 -3.150e-03 -1.801e-03 -7.054e-04 / + CHEB/ 1.067e-02 -4.099e-04 -3.663e-04 -2.619e-04 / + +! Reaction index: Chemkin #1982; RMG #7710 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), cC2H3O(61); H(5), O(16); +H(5)+C2H2O2(1030)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.397e+01 -7.891e-02 -3.852e-02 -1.051e-02 / + CHEB/ 2.755e+01 6.459e-02 2.805e-02 4.562e-03 / + CHEB/ 1.086e-01 1.466e-02 9.384e-03 4.362e-03 / + CHEB/ 3.477e-02 -3.774e-03 -9.750e-04 5.998e-04 / + CHEB/ 1.904e-02 -4.333e-03 -2.317e-03 -7.511e-04 / + CHEB/ 1.582e-02 -9.293e-04 -7.312e-04 -4.531e-04 / + +! Reaction index: Chemkin #1983; RMG #7712 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), OCHO(11); H(5), CH2(21); +H(5)+C2H2O2(1030)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.234e+00 -4.573e-01 -1.837e-01 -3.066e-02 / + CHEB/ 1.635e+01 3.024e-01 9.031e-02 -5.939e-03 / + CHEB/ 1.475e-01 4.941e-02 2.878e-02 8.275e-03 / + CHEB/ -1.770e-02 -1.562e-02 -4.827e-04 4.334e-03 / + CHEB/ -3.085e-02 -1.833e-02 -6.491e-03 3.415e-04 / + CHEB/ -1.598e-02 -5.791e-03 -3.214e-03 -8.591e-04 / + +! Reaction index: Chemkin #1984; RMG #7713 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), HOCO(10); H(5), CH2(21); +H(5)+C2H2O2(1030)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.002e+00 -2.365e-01 -1.213e-01 -3.970e-02 / + CHEB/ 1.189e+01 2.822e-01 1.373e-01 3.903e-02 / + CHEB/ 2.346e-01 -4.841e-02 -1.550e-02 1.889e-03 / + CHEB/ 4.593e-02 -1.791e-02 -1.252e-02 -6.147e-03 / + CHEB/ 4.430e-03 2.601e-04 -5.612e-04 -9.920e-04 / + CHEB/ 3.372e-03 1.666e-03 1.157e-03 5.942e-04 / + +! Reaction index: Chemkin #1985; RMG #7714 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), C2H3O(1084); H(5), O(16); +H(5)+C2H2O2(1030)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.936e+01 -3.021e-02 -1.804e-02 -8.052e-03 / + CHEB/ 2.334e+01 3.314e-02 1.957e-02 8.532e-03 / + CHEB/ 4.320e-02 -5.451e-03 -3.044e-03 -1.167e-03 / + CHEB/ 3.347e-02 -2.308e-03 -1.446e-03 -7.040e-04 / + CHEB/ 2.493e-02 -6.454e-05 -5.920e-05 -4.681e-05 / + CHEB/ 1.877e-02 1.634e-04 1.039e-04 5.186e-05 / + +! Reaction index: Chemkin #1986; RMG #7715 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), CH3CO(47); H(5), O(16); +H(5)+C2H2O2(1030)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.482e+00 -2.844e-01 -1.510e-01 -5.272e-02 / + CHEB/ 1.419e+01 3.289e-01 1.677e-01 5.283e-02 / + CHEB/ 1.827e-01 -3.950e-02 -1.270e-02 2.148e-03 / + CHEB/ 5.671e-02 -1.883e-02 -1.206e-02 -5.553e-03 / + CHEB/ 1.662e-02 -2.877e-03 -2.165e-03 -1.397e-03 / + CHEB/ 1.001e-02 4.644e-04 2.532e-04 7.244e-05 / + +! Reaction index: Chemkin #1987; RMG #7727 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CHOH(48); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+CH2CHO(45)<=>FA(1)+CH2CHOH(48) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #1988; RMG #7728 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CHOH(48); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2H3O(1084)<=>FA(1)+CH2CHOH(48) 6.020000e+13 0.000 0.000 + +! Reaction index: Chemkin #1989; RMG #7730 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CHOH(48); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+CH2CHO(45)<=>FA(1)+CH2CHOH(48) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #1990; RMG #7731 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CHOH(48); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2H3O(1084)<=>FA(1)+CH2CHOH(48) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #1991; RMG #7753 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), C2H3O3(1043); C2H2O2(1070), C2H3O3(1043); +OH(3)+C2H2O2(1070)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.196e+00 1.035e+00 -1.485e-01 -1.014e-02 / + CHEB/ 1.016e+01 4.508e-01 9.791e-02 -1.598e-02 / + CHEB/ -1.927e-01 -2.122e-03 2.192e-02 9.606e-03 / + CHEB/ -6.757e-02 -4.029e-02 -1.159e-02 1.709e-03 / + CHEB/ -3.344e-02 -1.676e-02 -7.700e-03 -1.727e-03 / + CHEB/ -1.392e-02 5.143e-03 -4.492e-04 -1.375e-03 / + +! Reaction index: Chemkin #1992; RMG #7754 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), CH2CO(30); OH(3), HO2(4); +OH(3)+C2H2O2(1070)(+M)<=>HO2(4)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.250e-01 -7.837e-01 -1.077e-01 3.293e-03 / + CHEB/ 9.814e+00 6.821e-01 9.071e-03 -2.544e-02 / + CHEB/ 1.284e-01 7.385e-02 5.091e-02 -1.629e-03 / + CHEB/ 3.141e-03 -5.506e-02 6.260e-03 6.748e-03 / + CHEB/ 5.670e-03 -2.725e-02 -7.527e-03 1.375e-03 / + CHEB/ 1.778e-02 4.490e-03 -3.257e-03 -1.100e-03 / + +! Reaction index: Chemkin #1993; RMG #7755 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), C2H3O2(1042); OH(3), O(16); +OH(3)+C2H2O2(1070)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.369e+01 -3.442e-02 -2.069e-02 -9.347e-03 / + CHEB/ 1.808e+01 2.179e-02 1.299e-02 5.773e-03 / + CHEB/ 4.934e-01 -5.313e-03 -3.174e-03 -1.415e-03 / + CHEB/ 7.616e-02 -5.603e-03 -3.328e-03 -1.467e-03 / + CHEB/ -4.624e-02 -3.162e-03 -1.877e-03 -8.267e-04 / + CHEB/ -4.379e-02 -2.480e-05 -2.706e-05 -2.291e-05 / + +! Reaction index: Chemkin #1994; RMG #7756 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), CO2(9); OH(3), CH2OH(26); +OH(3)+C2H2O2(1070)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.120e+00 -4.878e-01 -1.491e-01 -1.016e-02 / + CHEB/ 1.076e+01 4.498e-01 9.721e-02 -1.621e-02 / + CHEB/ -1.211e-01 -1.792e-03 2.190e-02 9.500e-03 / + CHEB/ -6.177e-02 -4.014e-02 -1.149e-02 1.732e-03 / + CHEB/ -3.595e-02 -1.679e-02 -7.668e-03 -1.698e-03 / + CHEB/ -1.465e-02 5.155e-03 -4.494e-04 -1.372e-03 / + +! Reaction index: Chemkin #1995; RMG #7846 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), CO(8); C2HO3(1072), HOCO(10); +C2HO3(1072)(+M)<=>CO(8)+HOCO(10)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.723e+00 6.372e-01 -1.970e-01 -4.224e-02 / + CHEB/ 3.445e+00 7.140e-01 8.601e-02 3.466e-03 / + CHEB/ -3.438e-01 2.650e-02 2.027e-02 2.257e-03 / + CHEB/ -6.618e-02 3.524e-04 1.349e-02 5.200e-03 / + CHEB/ -4.022e-02 -1.008e-02 -3.585e-03 2.132e-05 / + CHEB/ -3.082e-02 1.357e-02 6.242e-03 1.556e-03 / + +! Reaction index: Chemkin #1996; RMG #7852 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), CO2(9); C2HO3(1072), HCO(13); +C2HO3(1072)(+M)<=>CO2(9)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.916e+00 4.468e-01 -3.259e-01 -7.647e-02 / + CHEB/ 4.110e+00 8.750e-01 1.623e-01 1.207e-02 / + CHEB/ -1.043e-01 -3.520e-03 2.879e-02 8.585e-03 / + CHEB/ -3.290e-03 -1.433e-02 1.180e-02 5.519e-03 / + CHEB/ 5.715e-03 -1.068e-02 -2.297e-03 9.018e-04 / + CHEB/ -5.223e-02 1.809e-02 7.676e-03 2.105e-03 / + +! Reaction index: Chemkin #1997; RMG #7851 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), CO(8); C2HO3(1072), OCHO(11); +C2HO3(1072)(+M)<=>CO(8)+OCHO(11)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.543e-02 2.543e-01 -4.208e-01 -9.052e-02 / + CHEB/ 4.873e+00 1.131e+00 2.890e-01 4.157e-02 / + CHEB/ 3.291e-01 8.410e-02 8.343e-02 2.682e-02 / + CHEB/ 2.000e-01 9.169e-03 2.242e-02 7.711e-03 / + CHEB/ 8.551e-02 -3.009e-02 -1.148e-02 -6.163e-04 / + CHEB/ -3.256e-02 -6.176e-03 -5.358e-03 -1.754e-03 / + +! Reaction index: Chemkin #1998; RMG #7838 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), C2HO3(991); +C2HO3(1072)(+M)<=>C2HO3(991)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.318e+00 2.168e+00 -1.960e-01 -4.223e-02 / + CHEB/ 3.177e+00 7.182e-01 8.819e-02 3.826e-03 / + CHEB/ -3.218e-01 2.413e-02 2.053e-02 2.541e-03 / + CHEB/ -1.749e-01 -1.806e-03 1.320e-02 5.239e-03 / + CHEB/ -8.034e-02 -1.108e-02 -3.720e-03 2.964e-05 / + CHEB/ -6.938e-02 1.314e-02 6.185e-03 1.566e-03 / + +! Reaction index: Chemkin #1999; RMG #7840 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), C2HO3(990); +C2HO3(1072)(+M)<=>C2HO3(990)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.526e+00 1.722e+00 -4.531e-01 -1.040e-01 / + CHEB/ 3.976e+00 1.034e+00 2.350e-01 1.949e-02 / + CHEB/ -1.342e-01 2.843e-02 5.343e-02 1.555e-02 / + CHEB/ -5.603e-02 -1.502e-03 1.739e-02 6.764e-03 / + CHEB/ 4.962e-03 -1.479e-02 -2.401e-03 3.663e-03 / + CHEB/ -6.199e-02 1.287e-02 5.239e-03 2.441e-03 / + +! Reaction index: Chemkin #2000; RMG #5313 +! PDep reaction: PDepNetwork #135 +! Flux pairs: OH(3), C2HO3(1072); C2O2(1002), C2HO3(1072); +OH(3)+C2O2(1002)(+M)<=>C2HO3(1072)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.613e+00 1.351e+00 -9.060e-02 -3.192e-02 / + CHEB/ -1.897e-01 1.524e-01 7.692e-02 2.362e-02 / + CHEB/ -2.280e-01 -1.473e-02 -3.558e-03 1.986e-03 / + CHEB/ -1.143e-01 1.936e-02 8.014e-03 1.133e-03 / + CHEB/ -3.209e-02 -8.217e-03 -3.123e-03 -2.691e-04 / + CHEB/ -5.580e-02 6.222e-03 2.371e-03 1.948e-04 / + +! Reaction index: Chemkin #2001; RMG #7839 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), C2HO3(1028); +C2HO3(1072)(+M)<=>C2HO3(1028)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.172e-01 2.073e+00 -2.911e-01 -6.631e-02 / + CHEB/ 4.214e+00 8.814e-01 1.798e-01 1.857e-02 / + CHEB/ 1.420e-01 -2.700e-02 2.793e-02 1.161e-02 / + CHEB/ 1.036e-01 -2.529e-02 6.772e-03 4.513e-03 / + CHEB/ -6.687e-02 -6.390e-03 -1.391e-03 1.695e-03 / + CHEB/ -4.467e-02 2.051e-02 7.512e-03 1.774e-03 / + +! Reaction index: Chemkin #2002; RMG #7841 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), C2HO3(993); +C2HO3(1072)(+M)<=>C2HO3(993)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.809e+00 2.044e+00 -3.003e-01 -7.638e-02 / + CHEB/ 3.650e+00 8.731e-01 1.717e-01 2.035e-02 / + CHEB/ -2.019e-01 -8.239e-03 2.964e-02 1.086e-02 / + CHEB/ -3.969e-02 -2.185e-02 9.816e-03 6.195e-03 / + CHEB/ -1.186e-02 -1.330e-02 -4.589e-03 -3.588e-05 / + CHEB/ -6.197e-02 1.537e-02 5.835e-03 1.430e-03 / + +! Reaction index: Chemkin #2003; RMG #7778 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), C2HO3(1015); +C2HO3(1072)(+M)<=>C2HO3(1015)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.664e+00 2.257e+00 -1.162e-01 -1.053e-02 / + CHEB/ 3.077e+00 6.288e-01 4.519e-02 -5.523e-03 / + CHEB/ -2.209e-01 5.958e-02 2.649e-02 1.529e-03 / + CHEB/ 9.775e-03 -1.142e-02 3.615e-03 2.160e-03 / + CHEB/ 8.004e-02 -3.753e-03 -4.626e-03 -1.382e-03 / + CHEB/ -2.729e-02 1.003e-02 3.257e-03 7.897e-04 / + +! Reaction index: Chemkin #2004; RMG #7842 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), C2HO3(1027); +C2HO3(1072)(+M)<=>C2HO3(1027)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.771e-01 1.726e+00 -4.556e-01 -1.056e-01 / + CHEB/ 3.911e+00 1.040e+00 2.418e-01 2.238e-02 / + CHEB/ 1.525e-01 2.253e-02 5.267e-02 1.574e-02 / + CHEB/ 1.570e-01 -1.557e-03 1.728e-02 6.876e-03 / + CHEB/ 8.417e-02 -1.372e-02 -2.448e-03 3.563e-03 / + CHEB/ -4.129e-02 1.442e-02 5.787e-03 2.606e-03 / + +! Reaction index: Chemkin #2005; RMG #6169 +! PDep reaction: PDepNetwork #217 +! Flux pairs: H(5), C2HO3(1072); C2O3(1069), C2HO3(1072); +H(5)+C2O3(1069)(+M)<=>C2HO3(1072)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.045e+00 1.456e+00 -3.350e-02 -1.128e-02 / + CHEB/ 3.035e+00 6.995e-02 3.530e-02 1.105e-02 / + CHEB/ 4.112e-01 -6.180e-03 -2.061e-03 -2.023e-05 / + CHEB/ 1.345e-01 -1.643e-03 -1.632e-03 -9.957e-04 / + CHEB/ 8.539e-02 -4.759e-03 -2.169e-03 -5.787e-04 / + CHEB/ -3.931e-02 3.964e-04 4.271e-05 -1.931e-05 / + +! Reaction index: Chemkin #2006; RMG #7843 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), C2HO3(1055); +C2HO3(1072)(+M)<=>C2HO3(1055)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.509e+00 1.714e+00 -4.037e-01 -8.166e-02 / + CHEB/ 4.392e+00 1.314e+00 2.788e-01 1.246e-02 / + CHEB/ 2.241e-01 -1.227e-01 2.809e-02 2.154e-02 / + CHEB/ 2.330e-01 -8.225e-02 -1.689e-02 2.835e-03 / + CHEB/ 1.003e-01 -1.047e-02 -1.157e-02 -4.290e-03 / + CHEB/ -3.963e-02 2.311e-02 6.839e-03 4.103e-04 / + +! Reaction index: Chemkin #2007; RMG #7563 +! PDep reaction: PDepNetwork #298 +! Flux pairs: C2HO3(1068), C2HO3(1072); +C2HO3(1068)(+M)<=>C2HO3(1072)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.942e+00 2.331e+00 -2.670e-01 -6.392e-02 / + CHEB/ 5.825e+00 8.114e-01 2.699e-01 5.846e-02 / + CHEB/ 1.132e+00 -8.987e-02 1.858e-02 1.601e-02 / + CHEB/ 2.061e-01 1.939e-02 -4.098e-03 -5.199e-03 / + CHEB/ -2.782e-02 -1.595e-02 -1.584e-02 -7.715e-03 / + CHEB/ -6.990e-02 -1.809e-02 -5.828e-03 -1.239e-03 / + +! Reaction index: Chemkin #2008; RMG #7896 +! PDep reaction: PDepNetwork #336 +! Flux pairs: C2H3O3(1066), CO2(9); C2H3O3(1066), CH2OH(26); +C2H3O3(1066)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.168e+01 2.145e-01 -3.817e-02 -6.499e-04 / + CHEB/ 1.832e+01 4.074e-01 -5.771e-02 3.053e-03 / + CHEB/ -2.533e-01 2.505e-01 -2.056e-02 -5.481e-03 / + CHEB/ -1.493e-01 1.169e-01 4.043e-03 -4.310e-03 / + CHEB/ -6.536e-02 2.988e-02 1.118e-02 -1.676e-03 / + CHEB/ -1.884e-02 -5.470e-03 7.228e-03 6.175e-04 / + +! Reaction index: Chemkin #2009; RMG #5848 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); O(16), OH(3); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C +O(16)+C2H3O3(1066)<=>OH(3)+C2H2O3(977) 9.040000e+13 0.000 0.449 + +! Reaction index: Chemkin #2010; RMG #5858 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); H(5), H2(6); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C +H(5)+C2H3O3(1066)<=>H2(6)+C2H2O3(977) 2.000000e+13 0.000 0.284 + +! Reaction index: Chemkin #2011; RMG #5869 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); OH(3), H2O(17); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +OH(3)+C2H3O3(1066)<=>H2O(17)+C2H2O3(977) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #2012; RMG #5905 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); OCHO(11), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2H3O3(1066)<=>FA(1)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2013; RMG #5909 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+C2H3O3(1066)<=>FA(1)+C2H2O3(977) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #2014; RMG #5919 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); O2(2), HO2(4); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 +! Multiplied by reaction path degeneracy 2.0 +O2(2)+C2H3O3(1066)<=>HO2(4)+C2H2O3(977) 1.144180e+13 0.000 2.759 + +! Reaction index: Chemkin #2015; RMG #5926 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); HCO(13), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HCO(13)+C2H3O3(1066)<=>CH2O(12)+C2H2O3(977) 1.810000e+14 0.000 0.746 + +! Reaction index: Chemkin #2016; RMG #5938 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); HO2(4), H2O2(18); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +HO2(4)+C2H3O3(1066)<=>H2O2(18)+C2H2O3(977) 1.210000e+13 0.000 0.707 + +! Reaction index: Chemkin #2017; RMG #5954 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CHO4(989), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(989)+C2H3O3(1066)<=>CH2O4(1005)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2018; RMG #5958 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CHO4(985), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CHO4(985)+C2H3O3(1066)<=>CH2O4(1005)+C2H2O3(977) 1.810000e+13 0.000 0.095 + +! Reaction index: Chemkin #2019; RMG #5966 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CHO3(986), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+C2H3O3(1066)<=>CH2O3(1000)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2020; RMG #5980 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); O2CHO(67), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O2CHO(67)+C2H3O3(1066)<=>HO2CHO(68)+C2H2O3(977) 1.810000e+13 0.000 0.192 + +! Reaction index: Chemkin #2021; RMG #5984 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CHO3(1009), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CHO3(1009)+C2H3O3(1066)<=>HO2CHO(68)+C2H2O3(977) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #2022; RMG #5992 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CH3O(27), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +CH3O(27)+C2H3O3(1066)<=>CH3OH(25)+C2H2O3(977) 2.410000e+13 0.000 0.302 + +! Reaction index: Chemkin #2023; RMG #5996 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +CH2OH(26)+C2H3O3(1066)<=>CH3OH(25)+C2H2O3(977) 4.820000e+12 0.000 0.776 + +! Reaction index: Chemkin #2024; RMG #6000 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); C2HO3(993), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2HO3(993)+C2H3O3(1066)<=>C2H2O3(977)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2025; RMG #6004 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); C2HO3(991), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +C2HO3(991)+C2H3O3(1066)<=>C2H2O3(977)+C2H2O3(977) 1.810000e+14 0.000 0.604 + +! Reaction index: Chemkin #2026; RMG #6017 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CH3(7), CH4(20); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +CH3(7)+C2H3O3(1066)<=>CH4(20)+C2H2O3(977) 8.490000e+13 0.000 0.191 + +! Reaction index: Chemkin #2027; RMG #6025 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); OCHCO(63), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +OCHCO(63)+C2H3O3(1066)<=>OCHCHO(52)+C2H2O3(977) 1.810000e+14 0.000 0.777 + +! Reaction index: Chemkin #2028; RMG #6039 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); HCCO(53), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +HCCO(53)+C2H3O3(1066)<=>CH2CO(30)+C2H2O3(977) 3.010000e+13 0.000 0.127 + +! Reaction index: Chemkin #2029; RMG #6049 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); HOCH2O(38), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCH2O(38)+C2H3O3(1066)<=>OCO(1022)+C2H2O3(977) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2030; RMG #6053 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[CH]O(970)+C2H3O3(1066)<=>OCO(1022)+C2H2O3(977) 4.820000e+12 0.000 0.676 + +! Reaction index: Chemkin #2031; RMG #6215 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); [O]C(O)O(972), OC(O)O(1039); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +[O]C(O)O(972)+C2H3O3(1066)<=>OC(O)O(1039)+C2H2O3(977) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2032; RMG #6216 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[C](O)O(1021)+C2H3O3(1066)<=>OC(O)O(1039)+C2H2O3(977) 4.820000e+12 0.000 0.409 + +! Reaction index: Chemkin #2033; RMG #6846 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CH3CO2(73), C2H4O2(1024); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3CO2(73)+C2H3O3(1066)<=>C2H2O3(977)+C2H4O2(1024) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2034; RMG #6847 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); C2H3O2(1088), C2H4O2(1024); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +C2H3O2(1088)+C2H3O3(1066)<=>C2H2O3(977)+C2H4O2(1024) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2035; RMG #6869 +! PDep reaction: PDepNetwork #214 +! Flux pairs: H(5), C2H3O3(1066); C2H2O3(977), C2H3O3(1066); +H(5)+C2H2O3(977)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.044e+01 2.033e-01 -2.783e-02 -7.655e-05 / + CHEB/ 2.286e+00 3.671e-01 -4.677e-02 -8.949e-04 / + CHEB/ -7.452e-02 2.623e-01 -2.365e-02 -2.914e-03 / + CHEB/ -1.245e-01 1.403e-01 -1.314e-03 -3.507e-03 / + CHEB/ -7.293e-02 4.812e-02 8.774e-03 -1.836e-03 / + CHEB/ -2.501e-02 1.585e-03 7.680e-03 2.156e-04 / + +! Reaction index: Chemkin #2036; RMG #6930 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), C2H3O3(1066); +C2H3O3(1043)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.141e+00 1.087e+00 -9.091e-02 1.001e-02 / + CHEB/ 1.180e+01 1.242e+00 4.923e-03 -1.823e-02 / + CHEB/ 3.551e-02 4.473e-01 6.693e-02 6.260e-03 / + CHEB/ -8.379e-03 1.351e-01 1.196e-02 2.835e-03 / + CHEB/ 6.271e-02 6.120e-02 1.596e-03 -2.468e-03 / + CHEB/ 8.552e-02 2.471e-02 -9.806e-04 -3.838e-03 / + +! Reaction index: Chemkin #2037; RMG #7024 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CH2CHO(45), CH3CHO(40); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2CHO(45)+C2H3O3(1066)<=>C2H2O3(977)+CH3CHO(40) 1.810000e+13 0.000 0.186 + +! Reaction index: Chemkin #2038; RMG #7025 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CH3CO(47), CH3CHO(40); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CH3CO(47)+C2H3O3(1066)<=>C2H2O3(977)+CH3CHO(40) 1.810000e+14 0.000 0.649 + +! Reaction index: Chemkin #2039; RMG #7092 +! PDep reaction: PDepNetwork #52 +! Flux pairs: HCO(13), C2H3O3(1066); FA(1), C2H3O3(1066); +HCO(13)+FA(1)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.022e+01 -1.028e+00 -3.013e-01 -9.184e-03 / + CHEB/ 1.428e+01 1.851e+00 1.162e-01 -2.419e-02 / + CHEB/ 4.781e-01 2.161e-01 9.205e-03 -5.909e-03 / + CHEB/ -3.643e-02 -5.571e-02 -3.712e-02 2.718e-03 / + CHEB/ -5.724e-02 -4.088e-02 1.038e-02 9.561e-03 / + CHEB/ 2.841e-03 1.405e-03 2.653e-02 6.047e-03 / + +! Reaction index: Chemkin #2040; RMG #7762 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), C2H3O3(1066); C2H2O2(1070), C2H3O3(1066); +OH(3)+C2H2O2(1070)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.698e+00 9.964e-01 -1.832e-01 -2.778e-02 / + CHEB/ 1.162e+01 5.649e-01 1.673e-01 9.528e-03 / + CHEB/ 4.600e-01 -3.087e-02 1.403e-02 1.137e-02 / + CHEB/ 2.259e-01 -5.046e-02 -1.889e-02 -1.220e-03 / + CHEB/ 1.225e-01 -2.012e-02 -1.122e-02 -3.723e-03 / + CHEB/ 5.194e-02 5.474e-03 -2.700e-04 -1.582e-03 / + +! Reaction index: Chemkin #2041; RMG #8418 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), HCO(13); C2H3O3(1043), FA(1); +C2H3O3(1043)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.814e+01 -5.172e-01 -2.673e-01 8.524e-03 / + CHEB/ 1.832e+01 2.194e+00 2.440e-01 -2.784e-02 / + CHEB/ 1.379e+00 -4.486e-02 -9.600e-03 2.567e-03 / + CHEB/ 5.023e-01 -3.978e-02 3.817e-02 2.149e-02 / + CHEB/ 2.633e-01 -1.311e-02 2.844e-02 -1.321e-03 / + CHEB/ 1.721e-01 -2.973e-02 -1.546e-02 -5.383e-03 / + +! Reaction index: Chemkin #2042; RMG #7792 +! PDep reaction: PDepNetwork #52 +! Flux pairs: FA(1), C2H3O2(1042); HCO(13), O(16); +HCO(13)+FA(1)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.840e+01 -3.650e-02 -2.202e-02 -1.003e-02 / + CHEB/ 3.559e+01 3.663e-02 2.192e-02 9.818e-03 / + CHEB/ 1.238e+00 -3.029e-03 -1.666e-03 -6.138e-04 / + CHEB/ 4.916e-01 -4.223e-04 -2.897e-04 -1.618e-04 / + CHEB/ 1.277e-01 -1.018e-03 -5.956e-04 -2.542e-04 / + CHEB/ 2.621e-02 2.835e-04 1.612e-04 6.440e-05 / + +! Reaction index: Chemkin #2043; RMG #7793 +! PDep reaction: PDepNetwork #52 +! Flux pairs: FA(1), CO2(9); HCO(13), CH2OH(26); +HCO(13)+FA(1)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.503e+01 -1.817e+00 -2.679e-01 -7.792e-03 / + CHEB/ 1.737e+01 1.695e+00 1.615e-01 -2.010e-02 / + CHEB/ 8.663e-01 -1.040e-02 -2.018e-02 -7.091e-03 / + CHEB/ 3.533e-02 -2.605e-02 3.859e-02 1.605e-02 / + CHEB/ -4.200e-02 2.453e-02 4.356e-02 7.236e-03 / + CHEB/ 1.469e-02 9.164e-03 -2.098e-04 -3.508e-04 / + +! Reaction index: Chemkin #2044; RMG #7828 +! PDep reaction: PDepNetwork #311 +! Flux pairs: C2H2O2(1030), CO2(9); OH(3), CH2OH(26); +OH(3)+C2H2O2(1030)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.877e+00 -7.774e-01 -1.355e-01 9.758e-03 / + CHEB/ 2.073e+00 6.397e-01 4.068e-02 -3.007e-02 / + CHEB/ 3.911e-01 1.425e-01 6.095e-02 -1.705e-03 / + CHEB/ 9.404e-02 -1.234e-02 1.702e-02 9.241e-03 / + CHEB/ -8.331e-04 -3.985e-02 -3.950e-03 4.421e-03 / + CHEB/ 4.988e-03 -1.837e-02 -8.159e-03 -1.904e-04 / + +! Reaction index: Chemkin #2045; RMG #7825 +! PDep reaction: PDepNetwork #311 +! Flux pairs: OH(3), C2H3O3(1043); C2H2O2(1030), C2H3O3(1043); +OH(3)+C2H2O2(1030)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.756e+00 7.459e-01 -1.350e-01 9.757e-03 / + CHEB/ 1.475e+00 6.418e-01 4.174e-02 -2.993e-02 / + CHEB/ 3.202e-01 1.421e-01 6.140e-02 -1.453e-03 / + CHEB/ 8.905e-02 -1.310e-02 1.692e-02 9.363e-03 / + CHEB/ 2.790e-03 -4.017e-02 -4.157e-03 4.403e-03 / + CHEB/ 6.883e-03 -1.832e-02 -8.250e-03 -2.459e-04 / + +! Reaction index: Chemkin #2046; RMG #7817 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), C2H2O3(977); OH(3), H(5); +OH(3)+C2H2O2(1070)(+M)<=>H(5)+C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.152e+00 -4.459e-01 -1.401e-01 -1.189e-02 / + CHEB/ 1.220e+01 4.742e-01 1.206e-01 -6.317e-03 / + CHEB/ 7.382e-01 -1.706e-02 2.007e-02 1.303e-02 / + CHEB/ 2.965e-01 -4.314e-02 -1.652e-02 -5.803e-04 / + CHEB/ 5.822e-02 -1.424e-02 -9.048e-03 -3.705e-03 / + CHEB/ -1.902e-02 4.362e-03 -5.143e-05 -1.463e-03 / + +! Reaction index: Chemkin #2047; RMG #7818 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), C2H2O2(1030); OH(3), OH(3); +OH(3)+C2H2O2(1070)(+M)<=>OH(3)+C2H2O2(1030)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.084e+00 -4.462e-01 -1.619e-01 -2.722e-02 / + CHEB/ 1.405e+01 5.301e-01 1.691e-01 1.558e-02 / + CHEB/ 1.041e+00 -7.127e-02 -1.653e-03 9.960e-03 / + CHEB/ 3.191e-01 -4.800e-02 -2.234e-02 -3.965e-03 / + CHEB/ 5.712e-02 -9.641e-03 -7.917e-03 -3.957e-03 / + CHEB/ -1.162e-02 8.131e-03 2.086e-03 -6.735e-04 / + +! Reaction index: Chemkin #2048; RMG #7824 +! PDep reaction: PDepNetwork #311 +! Flux pairs: OH(3), C2H3O3(1066); C2H2O2(1030), C2H3O3(1066); +OH(3)+C2H2O2(1030)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.006e+01 6.248e-01 -1.394e-01 1.571e-02 / + CHEB/ 3.081e-01 5.468e-01 -1.482e-03 -3.087e-02 / + CHEB/ -1.020e-01 1.699e-01 4.312e-02 -9.807e-03 / + CHEB/ -5.497e-02 2.352e-02 2.089e-02 3.985e-03 / + CHEB/ 5.341e-03 -2.541e-02 5.133e-03 4.541e-03 / + CHEB/ 2.155e-02 -1.940e-02 -3.440e-03 1.898e-03 / + +! Reaction index: Chemkin #2049; RMG #7827 +! PDep reaction: PDepNetwork #311 +! Flux pairs: C2H2O2(1030), C2H3O2(1042); OH(3), O(16); +OH(3)+C2H2O2(1030)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.430e+01 -3.340e-02 -2.013e-02 -9.139e-03 / + CHEB/ 1.746e+01 3.417e-02 2.044e-02 9.133e-03 / + CHEB/ 7.296e-01 -2.996e-03 -1.665e-03 -6.284e-04 / + CHEB/ 3.056e-01 -8.947e-04 -5.776e-04 -2.965e-04 / + CHEB/ 1.092e-01 -2.319e-03 -1.389e-03 -6.235e-04 / + CHEB/ 5.153e-02 -3.772e-04 -2.425e-04 -1.241e-04 / + +! Reaction index: Chemkin #2050; RMG #7845 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), O-2(1040); C2HO3(1072), [O]C#CO(1004); +C2HO3(1072)(+M)<=>O-2(1040)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.118e+01 1.520e+00 -2.799e-04 -1.334e-04 / + CHEB/ 3.779e+01 2.235e-04 1.380e-04 6.574e-05 / + CHEB/ 6.849e-02 -1.418e-04 -8.756e-05 -4.171e-05 / + CHEB/ 3.516e-02 -4.370e-05 -2.698e-05 -1.286e-05 / + CHEB/ -6.181e-03 -1.202e-05 -7.419e-06 -3.534e-06 / + CHEB/ -4.013e-02 1.450e-05 8.953e-06 4.266e-06 / + +! Reaction index: Chemkin #2051; RMG #7848 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), O(16); C2HO3(1072), [O]C#CO(1004); +C2HO3(1072)(+M)<=>O(16)+[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.506e+01 1.518e+00 -1.939e-03 -9.194e-04 / + CHEB/ 2.292e+01 2.321e-03 1.430e-03 6.781e-04 / + CHEB/ -8.475e-02 -9.734e-04 -6.007e-04 -2.855e-04 / + CHEB/ -1.438e-02 4.939e-05 2.822e-05 1.157e-05 / + CHEB/ -5.555e-02 -4.106e-04 -2.518e-04 -1.186e-04 / + CHEB/ -4.468e-02 2.990e-04 1.842e-04 8.721e-05 / + +! Reaction index: Chemkin #2052; RMG #7849 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), O-2(1040); C2HO3(1072), OCHCO(63); +C2HO3(1072)(+M)<=>O-2(1040)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.572e+01 1.515e+00 -3.232e-03 -1.207e-03 / + CHEB/ 3.232e+01 4.601e-03 2.478e-03 8.774e-04 / + CHEB/ 1.955e-01 -3.578e-04 -2.567e-04 -1.492e-04 / + CHEB/ -1.898e-01 2.938e-04 1.592e-04 5.594e-05 / + CHEB/ -1.096e-02 3.262e-04 2.000e-04 9.179e-05 / + CHEB/ 1.040e-02 -2.221e-04 -9.396e-05 -1.036e-05 / + +! Reaction index: Chemkin #2053; RMG #7850 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), O(16); C2HO3(1072), C2HO2(1001); +C2HO3(1072)(+M)<=>O(16)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.880e+01 1.372e+00 -5.922e-02 -7.228e-03 / + CHEB/ 1.988e+01 1.382e-01 5.221e-02 4.205e-03 / + CHEB/ 1.923e-01 4.573e-03 9.460e-04 -1.130e-03 / + CHEB/ -3.356e-03 1.597e-03 8.882e-04 3.096e-04 / + CHEB/ 3.284e-02 -5.075e-03 4.848e-05 1.761e-03 / + CHEB/ -3.975e-02 -3.159e-03 -1.055e-03 4.823e-05 / + +! Reaction index: Chemkin #2054; RMG #7853 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), O(16); C2HO3(1072), OCHCO(63); +C2HO3(1072)(+M)<=>O(16)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.497e+01 1.375e+00 -6.940e-02 -2.037e-02 / + CHEB/ 1.712e+01 9.007e-02 4.126e-02 1.190e-02 / + CHEB/ 2.646e-01 2.008e-02 6.792e-03 -3.674e-04 / + CHEB/ 8.361e-02 1.727e-02 6.813e-03 6.887e-04 / + CHEB/ -1.603e-02 -3.876e-03 4.577e-04 1.339e-03 / + CHEB/ -4.219e-02 -3.502e-03 -6.316e-04 6.417e-04 / + +! Reaction index: Chemkin #2055; RMG #7854 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), O-2(1040); C2HO3(1072), C2HO2(1001); +C2HO3(1072)(+M)<=>O-2(1040)+C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.621e+01 1.517e+00 -2.030e-03 -9.633e-04 / + CHEB/ 3.377e+01 2.735e-03 1.683e-03 7.962e-04 / + CHEB/ 2.345e-01 -5.892e-04 -3.612e-04 -1.697e-04 / + CHEB/ 1.308e-01 2.192e-04 1.342e-04 6.292e-05 / + CHEB/ 2.204e-02 -2.662e-06 -1.158e-06 -9.458e-08 / + CHEB/ -2.516e-02 1.699e-04 1.043e-04 4.905e-05 / + +! Reaction index: Chemkin #2056; RMG #7855 +! PDep reaction: PDepNetwork #335 +! Flux pairs: C2HO3(1072), O(16); C2HO3(1072), O1[C]2OC12(1049); +C2HO3(1072)(+M)<=>O(16)+O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.413e+01 1.517e+00 -2.091e-03 -9.922e-04 / + CHEB/ 3.289e+01 2.848e-03 1.752e-03 8.290e-04 / + CHEB/ 3.302e-01 -6.076e-04 -3.725e-04 -1.749e-04 / + CHEB/ 1.550e-01 2.283e-04 1.397e-04 6.542e-05 / + CHEB/ 2.278e-02 -2.828e-06 -1.241e-06 -1.160e-07 / + CHEB/ -2.996e-02 1.746e-04 1.071e-04 5.041e-05 / + +! Reaction index: Chemkin #2057; RMG #7887 +! PDep reaction: PDepNetwork #172 +! Flux pairs: CH2CO(30), CH3OH(25); H2O(17), CO(8); +H2O(17)+CH2CO(30)(+M)<=>CO(8)+CH3OH(25)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.102e+01 -8.808e-01 -1.097e-01 1.167e-02 / + CHEB/ 2.730e+01 7.143e-01 -9.850e-03 -2.751e-02 / + CHEB/ 1.001e-01 1.856e-01 7.279e-02 -1.223e-02 / + CHEB/ -3.694e-02 -1.591e-02 3.479e-02 1.060e-02 / + CHEB/ -3.590e-02 -4.205e-02 -2.857e-03 9.687e-03 / + CHEB/ -1.894e-02 -2.295e-02 -1.115e-02 1.310e-03 / + +! Reaction index: Chemkin #2058; RMG #7889 +! PDep reaction: PDepNetwork #172 +! Flux pairs: CH2CO(30), OCH2CHO(510); H2O(17), H(5); +H2O(17)+CH2CO(30)(+M)<=>H(5)+OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.068e+01 -3.713e-01 -1.359e-01 -1.575e-02 / + CHEB/ 3.378e+01 4.063e-01 1.261e-01 -5.652e-04 / + CHEB/ 5.641e-02 2.743e-04 2.598e-02 1.794e-02 / + CHEB/ -2.065e-02 -3.399e-02 -1.258e-02 1.129e-03 / + CHEB/ -2.585e-02 -1.224e-02 -9.076e-03 -4.021e-03 / + CHEB/ -1.630e-02 -1.559e-03 -2.022e-03 -1.781e-03 / + +! Reaction index: Chemkin #2059; RMG #7929 +! PDep reaction: PDepNetwork #279 +! Flux pairs: CH2OH(26), CH2CO(30); HCO(13), H2O(17); +HCO(13)+CH2OH(26)(+M)<=>H2O(17)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.182e+01 -9.756e-01 -9.508e-02 9.275e-03 / + CHEB/ 1.182e+00 7.004e-01 -4.331e-02 -1.971e-02 / + CHEB/ 4.848e-02 2.358e-01 5.470e-02 -1.855e-02 / + CHEB/ -7.826e-02 9.019e-03 4.384e-02 3.171e-03 / + CHEB/ -5.908e-02 -4.084e-02 7.858e-03 1.020e-02 / + CHEB/ -2.994e-02 -2.789e-02 -8.218e-03 4.716e-03 / + +! Reaction index: Chemkin #2060; RMG #7891 +! PDep reaction: PDepNetwork #172 +! Flux pairs: CH2CO(30), C2H3O2(1042); H2O(17), H(5); +H2O(17)+CH2CO(30)(+M)<=>H(5)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.329e+01 -8.322e-01 -1.115e-01 1.171e-02 / + CHEB/ 2.637e+01 7.275e-01 8.016e-03 -2.922e-02 / + CHEB/ -1.440e-01 1.590e-01 7.834e-02 -7.359e-03 / + CHEB/ -1.254e-01 -3.450e-02 2.785e-02 1.351e-02 / + CHEB/ -7.595e-02 -4.550e-02 -9.159e-03 8.204e-03 / + CHEB/ -3.478e-02 -1.968e-02 -1.256e-02 -8.598e-04 / + +! Reaction index: Chemkin #2061; RMG #7895 +! PDep reaction: PDepNetwork #336 +! Flux pairs: C2H3O3(1066), O(16); C2H3O3(1066), C2H3O2(1042); +C2H3O3(1066)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.135e+01 1.486e+00 -2.115e-02 -9.587e-03 / + CHEB/ 3.950e+01 3.473e-02 2.074e-02 9.248e-03 / + CHEB/ 4.255e-02 -1.744e-03 -9.084e-04 -2.826e-04 / + CHEB/ 7.236e-02 -1.868e-04 -1.438e-04 -9.268e-05 / + CHEB/ 7.429e-02 -2.197e-03 -1.307e-03 -5.777e-04 / + CHEB/ 5.249e-02 -3.408e-04 -2.184e-04 -1.112e-04 / + +! Reaction index: Chemkin #2062; RMG #7906 +! PDep reaction: PDepNetwork #213 +! Flux pairs: H(5), C2H3O3(1032); C2H2O3(977), C2H3O3(1032); +H(5)+C2H2O3(977)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.012e+00 1.004e-01 -1.335e-01 5.201e-03 / + CHEB/ 4.128e+00 1.315e+00 1.541e-04 -4.247e-02 / + CHEB/ 3.818e-02 1.050e-01 6.949e-02 3.203e-04 / + CHEB/ 4.646e-02 -6.705e-02 1.819e-02 1.558e-02 / + CHEB/ 6.228e-02 -3.683e-02 -3.898e-03 2.962e-03 / + CHEB/ 3.877e-02 -3.921e-03 -3.366e-03 -1.644e-03 / + +! Reaction index: Chemkin #2063; RMG #10054 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), C2H2O3(977); H(5), H(5); +H(5)+C2H2O3(1031)(+M)<=>H(5)+C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.031e+01 -5.542e-02 -1.976e-02 -5.067e-03 / + CHEB/ 3.170e+00 6.312e-02 1.508e-02 7.167e-04 / + CHEB/ 8.890e-02 -2.347e-02 9.183e-04 3.882e-03 / + CHEB/ 1.381e-02 1.209e-02 -9.406e-04 -1.947e-03 / + CHEB/ 1.180e-02 -6.875e-03 -7.432e-04 9.001e-05 / + CHEB/ 3.095e-03 1.331e-03 -1.984e-04 -1.863e-04 / + +! Reaction index: Chemkin #2064; RMG #7908 +! PDep reaction: PDepNetwork #213 +! Flux pairs: C2H2O3(977), O[CH]O(970); H(5), CO(8); +H(5)+C2H2O3(977)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.295e+00 -1.228e+00 -1.403e-01 1.016e-04 / + CHEB/ 5.759e+00 1.262e+00 2.676e-02 -3.986e-02 / + CHEB/ 2.357e-01 1.958e-03 7.696e-02 9.356e-03 / + CHEB/ 2.531e-02 -9.302e-02 8.655e-03 1.598e-02 / + CHEB/ -4.858e-04 -2.843e-02 -9.132e-03 7.352e-04 / + CHEB/ 9.324e-03 8.362e-03 -3.427e-03 -2.486e-03 / + +! Reaction index: Chemkin #2065; RMG #5125 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1056), C2H3O2(1042); OH(3), H2O(17); +! From training reaction 237 used for CO/H/Cs;O_pri_rad +! Exact match found for rate rule [CO/H/Cs;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+C2H4O2(1056)<=>H2O(17)+C2H3O2(1042) 2.800000e+12 0.000 -0.709 + +! Reaction index: Chemkin #2066; RMG #6345 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1056), C2H3O2(1042); H(5), H2(6); +! From training reaction 234 used for CO/H/Cs;H_rad +! Exact match found for rate rule [CO/H/Cs;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+C2H4O2(1056)<=>H2(6)+C2H3O2(1042) 1.300000e+05 2.580 1.219 + +! Reaction index: Chemkin #2067; RMG #7550 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1056), OCH2CHO(510); OH(3), H2O(17); +! From training reaction 196 used for O/H/NonDeC;O_pri_rad +! Exact match found for rate rule [O/H/NonDeC;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+C2H4O2(1056)<=>H2O(17)+OCH2CHO(510) 2.700000e+07 1.443 0.113 + +! Reaction index: Chemkin #2068; RMG #7937 +! PDep reaction: PDepNetwork #337 +! Flux pairs: C2H4O2(1056), H2O(17); C2H4O2(1056), CH2CO(30); +C2H4O2(1056)(+M)<=>H2O(17)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.849e+00 1.574e-01 -3.115e-02 1.208e-03 / + CHEB/ 1.673e+01 2.869e-01 -5.395e-02 1.182e-03 / + CHEB/ -1.328e-01 2.158e-01 -3.366e-02 -1.421e-03 / + CHEB/ -1.513e-01 1.305e-01 -1.193e-02 -3.253e-03 / + CHEB/ -8.264e-02 5.868e-02 2.595e-03 -3.133e-03 / + CHEB/ -3.573e-02 1.391e-02 7.540e-03 -1.562e-03 / + +! Reaction index: Chemkin #2069; RMG #7936 +! PDep reaction: PDepNetwork #337 +! Flux pairs: C2H4O2(1056), CO(8); C2H4O2(1056), CH3OH(25); +C2H4O2(1056)(+M)<=>CO(8)+CH3OH(25)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.071e+01 5.951e-01 -1.174e-01 1.150e-02 / + CHEB/ 2.724e+01 6.675e-01 -2.966e-02 -2.853e-02 / + CHEB/ -5.036e-01 1.866e-01 6.132e-02 -1.656e-02 / + CHEB/ -1.991e-01 -9.957e-04 3.562e-02 7.009e-03 / + CHEB/ -4.844e-02 -3.307e-02 2.498e-03 9.520e-03 / + CHEB/ 1.741e-04 -2.163e-02 -7.720e-03 2.964e-03 / + +! Reaction index: Chemkin #2070; RMG #10031 +! PDep reaction: PDepNetwork #397 +! Flux pairs: CH2CHO(45), CH3OH(25); OH(3), CO(8); +OH(3)+CH2CHO(45)(+M)<=>CO(8)+CH3OH(25)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.516e+00 -7.751e-01 -1.139e-01 1.062e-02 / + CHEB/ 2.298e+00 7.330e-01 2.636e-02 -3.041e-02 / + CHEB/ 3.028e-01 1.150e-01 8.134e-02 -1.106e-03 / + CHEB/ -8.592e-03 -5.416e-02 1.687e-02 1.559e-02 / + CHEB/ -2.854e-02 -4.243e-02 -1.552e-02 5.095e-03 / + CHEB/ -1.549e-02 -1.276e-02 -1.183e-02 -3.248e-03 / + +! Reaction index: Chemkin #2071; RMG #7921 +! PDep reaction: PDepNetwork #131 +! Flux pairs: CH3OH(25), OCH2CHO(510); CO(8), H(5); +CO(8)+CH3OH(25)(+M)<=>H(5)+OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.452e+01 -3.494e-01 -1.293e-01 -1.577e-02 / + CHEB/ 3.611e+01 4.008e-01 1.288e-01 2.444e-03 / + CHEB/ 3.564e-01 -1.387e-02 1.995e-02 1.741e-02 / + CHEB/ 6.593e-02 -3.740e-02 -1.577e-02 -6.543e-04 / + CHEB/ -6.453e-03 -9.492e-03 -8.352e-03 -4.461e-03 / + CHEB/ -1.503e-02 8.586e-04 -6.282e-04 -1.326e-03 / + +! Reaction index: Chemkin #2072; RMG #7923 +! PDep reaction: PDepNetwork #131 +! Flux pairs: CH3OH(25), C2H3O2(1042); CO(8), H(5); +CO(8)+CH3OH(25)(+M)<=>H(5)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.865e+01 -7.314e-01 -1.135e-01 1.028e-02 / + CHEB/ 2.979e+01 7.361e-01 4.209e-02 -2.987e-02 / + CHEB/ 2.525e-01 8.452e-02 8.119e-02 3.884e-03 / + CHEB/ -3.976e-02 -6.741e-02 7.874e-03 1.599e-02 / + CHEB/ -5.172e-02 -4.003e-02 -1.942e-02 2.270e-03 / + CHEB/ -2.747e-02 -7.583e-03 -1.057e-02 -4.668e-03 / + +! Reaction index: Chemkin #2073; RMG #7927 +! PDep reaction: PDepNetwork #279 +! Flux pairs: HCO(13), C2H4O2(1056); CH2OH(26), C2H4O2(1056); +HCO(13)+CH2OH(26)(+M)<=>C2H4O2(1056)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.252e+01 4.892e-01 -1.029e-01 9.781e-03 / + CHEB/ -4.259e-01 6.314e-01 -6.496e-02 -1.881e-02 / + CHEB/ -3.044e-01 2.253e-01 3.713e-02 -2.146e-02 / + CHEB/ -1.248e-01 2.287e-02 3.956e-02 -1.446e-03 / + CHEB/ -3.135e-02 -2.926e-02 1.220e-02 8.086e-03 / + CHEB/ 2.665e-03 -2.459e-02 -3.418e-03 5.533e-03 / + +! Reaction index: Chemkin #2074; RMG #7931 +! PDep reaction: PDepNetwork #279 +! Flux pairs: CH2OH(26), OCH2CHO(510); HCO(13), H(5); +HCO(13)+CH2OH(26)(+M)<=>H(5)+OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.034e+00 -3.588e-01 -1.322e-01 -1.581e-02 / + CHEB/ 9.518e+00 4.032e-01 1.277e-01 1.130e-03 / + CHEB/ 1.192e-01 -7.853e-03 2.255e-02 1.767e-02 / + CHEB/ -3.048e-04 -3.608e-02 -1.446e-02 1.146e-04 / + CHEB/ -2.011e-02 -1.074e-02 -8.720e-03 -4.301e-03 / + CHEB/ -1.779e-02 -1.688e-04 -1.238e-03 -1.540e-03 / + +! Reaction index: Chemkin #2075; RMG #7932 +! PDep reaction: PDepNetwork #279 +! Flux pairs: CH2OH(26), C2H3O2(1042); HCO(13), H(5); +HCO(13)+CH2OH(26)(+M)<=>H(5)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.434e+00 -7.743e-01 -1.112e-01 1.069e-02 / + CHEB/ 2.753e+00 7.415e-01 2.685e-02 -2.965e-02 / + CHEB/ 1.985e-02 1.146e-01 8.171e-02 -9.053e-04 / + CHEB/ -9.946e-02 -5.915e-02 1.637e-02 1.577e-02 / + CHEB/ -6.901e-02 -4.422e-02 -1.664e-02 4.969e-03 / + CHEB/ -3.307e-02 -1.186e-02 -1.218e-02 -3.575e-03 / + +! Reaction index: Chemkin #2076; RMG #10030 +! PDep reaction: PDepNetwork #397 +! Flux pairs: OH(3), C2H4O2(1056); CH2CHO(45), C2H4O2(1056); +OH(3)+CH2CHO(45)(+M)<=>C2H4O2(1056)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.329e+01 5.922e-01 -1.223e-01 1.188e-02 / + CHEB/ -8.104e-01 6.500e-01 -3.131e-02 -3.005e-02 / + CHEB/ -3.836e-01 1.810e-01 5.819e-02 -1.699e-02 / + CHEB/ -1.390e-01 -1.368e-04 3.397e-02 6.463e-03 / + CHEB/ -3.159e-02 -3.204e-02 2.702e-03 9.172e-03 / + CHEB/ 4.822e-03 -2.150e-02 -7.188e-03 3.050e-03 / + +! Reaction index: Chemkin #2077; RMG #7939 +! PDep reaction: PDepNetwork #337 +! Flux pairs: C2H4O2(1056), H(5); C2H4O2(1056), OCH2CHO(510); +C2H4O2(1056)(+M)<=>H(5)+OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.124e+01 1.136e+00 -1.403e-01 -1.614e-02 / + CHEB/ 3.389e+01 4.053e-01 1.229e-01 -2.730e-03 / + CHEB/ -4.857e-01 7.216e-03 2.856e-02 1.782e-02 / + CHEB/ -1.576e-01 -3.089e-02 -1.039e-02 2.082e-03 / + CHEB/ -2.479e-02 -1.291e-02 -8.941e-03 -3.565e-03 / + CHEB/ 1.245e-02 -2.930e-03 -2.687e-03 -1.902e-03 / + +! Reaction index: Chemkin #2078; RMG #7941 +! PDep reaction: PDepNetwork #337 +! Flux pairs: C2H4O2(1056), H(5); C2H4O2(1056), C2H3O2(1042); +C2H4O2(1056)(+M)<=>H(5)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.310e+01 6.476e-01 -1.181e-01 1.150e-02 / + CHEB/ 2.627e+01 6.923e-01 -9.481e-03 -3.068e-02 / + CHEB/ -7.548e-01 1.701e-01 7.058e-02 -1.197e-02 / + CHEB/ -2.839e-01 -1.638e-02 3.173e-02 1.069e-02 / + CHEB/ -8.491e-02 -3.816e-02 -3.147e-03 9.074e-03 / + CHEB/ -1.340e-02 -2.073e-02 -1.008e-02 1.120e-03 / + +! Reaction index: Chemkin #2079; RMG #7945 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+OCH2CHO(510)<=>CO2(9)+C2H4O2(1056) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2080; RMG #7947 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+C2H3O2(1042)<=>CO2(9)+C2H4O2(1056) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #2081; RMG #7948 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+OCH2CHO(510)<=>CO2(9)+C2H4O2(1056) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2082; RMG #7950 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2H3O2(1042)<=>CO2(9)+C2H4O2(1056) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2083; RMG #7955 +! Template reaction: CO_Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+OCH2CHO(510)<=>CO(8)+C2H4O2(1056) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #2084; RMG #7957 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Ext-4CO-R +HCO(13)+C2H3O2(1042)<=>CO(8)+C2H4O2(1056) 1.200000e+14 0.000 0.000 + +! Reaction index: Chemkin #2085; RMG #417 +! Library reaction: NOx2018 +! Flux pairs: CH2CHOH(48), CHCHOH(55); H(5), H2(6); +H(5)+CH2CHOH(48)<=>H2(6)+CHCHOH(55) 2.500000e+07 2.030 15.180 + +! Reaction index: Chemkin #2086; RMG #421 +! Library reaction: NOx2018 +! Flux pairs: CH2CHOH(48), CHCHOH(55); OH(3), H2O(17); +OH(3)+CH2CHOH(48)<=>H2O(17)+CHCHOH(55) 1.300000e-01 4.200 -0.860 + +! Reaction index: Chemkin #2087; RMG #427 +! Library reaction: NOx2018 +! Flux pairs: CHCHOH(55), CH2CHO(45); H(5), H(5); +H(5)+CHCHOH(55)<=>H(5)+CH2CHO(45) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2088; RMG #429 +! Library reaction: NOx2018 +! Flux pairs: CHCHOH(55), OCHCHO(52); O(16), H(5); +O(16)+CHCHOH(55)<=>H(5)+OCHCHO(52) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2089; RMG #431 +! Library reaction: NOx2018 +! Flux pairs: CHCHOH(55), OCHCHO(52); O2(2), OH(3); +O2(2)+CHCHOH(55)<=>OH(3)+OCHCHO(52) 1.800000e+12 0.000 -0.187 + +! Reaction index: Chemkin #2090; RMG #432 +! Library reaction: NOx2018 +O2(2)+CHCHOH(55)<=>HCO(13)+FA(1) 3.300000e+12 0.000 0.000 +DUPLICATE +! Reaction index: Chemkin #2091; RMG #432 +! Library reaction: NOx2018 +O2(2)+CHCHOH(55)<=>HCO(13)+FA(1) -1.800000e+12 0.000 -0.187 +DUPLICATE + + +! Reaction index: Chemkin #2092; RMG #433 +! Library reaction: NOx2018 +! Flux pairs: CHCHOH(55), FA(1); O2(2), H(5); O2(2), CO(8); +O2(2)+CHCHOH(55)<=>H(5)+CO(8)+FA(1) 1.100000e+22 -2.498 20.266 + +! Reaction index: Chemkin #2093; RMG #434 +! Library reaction: NOx2018 +CH2O(12)+CHCHOH(55)<=>HCO(13)+CH2CHOH(48) 5.400000e+03 2.810 5.860 +DUPLICATE +! Reaction index: Chemkin #2094; RMG #434 +! Library reaction: NOx2018 +CH2O(12)+CHCHOH(55)<=>HCO(13)+CH2CHOH(48) -3.200000e+13 0.337 25.787 +DUPLICATE + + +! Reaction index: Chemkin #2095; RMG #435 +! Library reaction: NOx2018 +! Flux pairs: CHCHOH(55), CH2CHOH(48); CH2O(12), H(5); CH2O(12), CO(8); +CH2O(12)+CHCHOH(55)<=>H(5)+CO(8)+CH2CHOH(48) 3.200000e+13 0.337 25.787 + +! Reaction index: Chemkin #2096; RMG #436 +! Library reaction: NOx2018 +! Flux pairs: CHCHOH(55), CH2CHOH(48); HCO(13), CO(8); +HCO(13)+CHCHOH(55)<=>CO(8)+CH2CHOH(48) 9.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2097; RMG #5687 +! Template reaction: H_Abstraction +! Flux pairs: CHCHOH(55), CHCHO(51); OH(3), H2O(17); +! From training reaction 692 used for O/H/OneDeC;O_pri_rad +! Exact match found for rate rule [O/H/OneDeC;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+CHCHOH(55)<=>H2O(17)+CHCHO(51) 1.200000e+06 2.000 -0.250 + +! Reaction index: Chemkin #2098; RMG #5715 +! PDep reaction: PDepNetwork #182 +! Flux pairs: H(5), CHCHOH(55); CH2CO(30), CHCHOH(55); +H(5)+CH2CO(30)(+M)<=>CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.175e+00 -1.467e-03 -8.988e-04 -4.217e-04 / + CHEB/ 1.326e+01 -2.481e-03 -1.519e-03 -7.112e-04 / + CHEB/ 3.353e-01 -1.615e-03 -9.864e-04 -4.599e-04 / + CHEB/ 1.250e-01 -8.618e-04 -5.243e-04 -2.426e-04 / + CHEB/ 4.548e-02 -3.903e-04 -2.362e-04 -1.081e-04 / + CHEB/ 1.611e-02 -1.460e-04 -8.772e-05 -3.952e-05 / +DUPLICATE + +! Reaction index: Chemkin #2099; RMG #5755 +! Template reaction: H_Abstraction +! Flux pairs: CHCHOH(55), CHCHO(51); H(5), H2(6); +! From training reaction 690 used for O/H/OneDeC;H_rad +! Exact match found for rate rule [O/H/OneDeC;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+CHCHOH(55)<=>H2(6)+CHCHO(51) 2.400000e+08 1.500 6.620 + +! Reaction index: Chemkin #2100; RMG #6113 +! PDep reaction: PDepNetwork #181 +! Flux pairs: H(5), CHCHOH(55); CH2CO(30), CHCHOH(55); +H(5)+CH2CO(30)(+M)<=>CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.301e+00 7.020e-02 -1.571e-01 -2.213e-02 / + CHEB/ 5.955e+00 7.669e-01 4.006e-02 9.633e-03 / + CHEB/ -9.363e-02 2.609e-01 -1.481e-03 -1.094e-03 / + CHEB/ -8.958e-02 6.464e-02 6.466e-03 -5.749e-03 / + CHEB/ -2.844e-02 -9.498e-04 8.295e-03 -9.574e-04 / + CHEB/ 2.787e-03 -1.285e-02 2.694e-03 1.503e-03 / +DUPLICATE + +! Reaction index: Chemkin #2101; RMG #6354 +! PDep reaction: PDepNetwork #5 +! Flux pairs: cC2H3O(61), CHCHOH(55); +cC2H3O(61)(+M)<=>CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.164e+00 1.596e+00 -2.386e-01 -7.931e-03 / + CHEB/ 1.018e+01 -2.471e-02 -3.383e-02 -7.799e-03 / + CHEB/ -9.868e-02 -1.436e-01 7.605e-02 5.828e-03 / + CHEB/ -1.778e-01 -7.308e-02 8.148e-02 8.037e-03 / + CHEB/ -1.106e-01 -1.283e-02 3.974e-02 -3.450e-03 / + CHEB/ -5.825e-02 1.114e-02 4.891e-03 -9.190e-03 / + +! Reaction index: Chemkin #2102; RMG #7978 +! PDep reaction: PDepNetwork #338 +! Flux pairs: CHCHOH(55), CH3CO(47); +CHCHOH(55)(+M)<=>CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.013e+01 1.992e+00 -1.917e-01 -6.880e-03 / + CHEB/ 1.410e+01 5.873e-01 7.681e-04 -1.988e-02 / + CHEB/ 4.193e-01 1.531e-01 2.941e-02 -1.454e-02 / + CHEB/ 9.167e-02 5.813e-03 1.710e-02 4.025e-04 / + CHEB/ 1.996e-02 -2.292e-02 2.519e-03 3.758e-03 / + CHEB/ 2.838e-03 -1.702e-02 -2.955e-03 1.781e-03 / + +! Reaction index: Chemkin #2103; RMG #7982 +! PDep reaction: PDepNetwork #338 +! Flux pairs: CHCHOH(55), CO(8); CHCHOH(55), CH3(7); +CHCHOH(55)(+M)<=>CO(8)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.225e+00 4.899e-01 -1.882e-01 -6.738e-03 / + CHEB/ 1.357e+01 6.077e-01 7.426e-03 -1.974e-02 / + CHEB/ 1.728e-01 1.582e-01 3.329e-02 -1.383e-02 / + CHEB/ -6.239e-02 4.848e-03 1.808e-02 1.091e-03 / + CHEB/ -6.127e-02 -2.422e-02 2.174e-03 3.998e-03 / + CHEB/ -3.835e-02 -1.730e-02 -3.370e-03 1.719e-03 / + +! Reaction index: Chemkin #2104; RMG #7961 +! PDep reaction: PDepNetwork #338 +! Flux pairs: CHCHOH(55), CH2CHO(45); +CHCHOH(55)(+M)<=>CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.712e+00 1.950e+00 -1.934e-01 -4.603e-03 / + CHEB/ 1.276e+01 5.505e-01 -7.332e-03 -1.677e-02 / + CHEB/ -7.743e-03 1.619e-01 2.678e-02 -1.449e-02 / + CHEB/ -6.418e-02 2.760e-02 2.102e-02 -4.174e-04 / + CHEB/ -1.867e-02 -6.903e-03 8.079e-03 3.665e-03 / + CHEB/ 8.170e-03 -9.736e-03 7.069e-04 2.218e-03 / + +! Reaction index: Chemkin #2105; RMG #7960 +! PDep reaction: PDepNetwork #338 +! Flux pairs: CHCHOH(55), C2H3O(1084); +CHCHOH(55)(+M)<=>C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.387e-01 1.403e+00 -1.656e-01 -2.283e-02 / + CHEB/ 7.773e+00 5.653e-01 4.262e-02 8.851e-03 / + CHEB/ -2.521e-01 1.910e-01 -3.902e-03 3.804e-03 / + CHEB/ -7.653e-02 5.702e-02 -2.251e-03 -3.657e-03 / + CHEB/ -4.122e-03 1.027e-02 3.370e-03 -2.369e-03 / + CHEB/ 1.076e-02 -2.542e-03 2.887e-03 3.877e-05 / + +! Reaction index: Chemkin #2106; RMG #7403 +! PDep reaction: PDepNetwork #285 +! Flux pairs: CH2CHOH(48), H(5); CH2CHOH(48), CHCHOH(55); +CH2CHOH(48)(+M)<=>H(5)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.065e+01 8.029e-01 -1.928e-01 5.753e-03 / + CHEB/ 3.522e+01 2.797e-01 5.298e-02 -1.748e-02 / + CHEB/ -4.485e-01 1.544e-01 3.340e-02 -5.626e-03 / + CHEB/ -2.336e-01 6.087e-02 1.790e-02 7.325e-04 / + CHEB/ -1.208e-01 2.019e-02 7.495e-03 1.427e-03 / + CHEB/ -5.688e-02 2.037e-03 2.521e-03 1.116e-03 / + +! Reaction index: Chemkin #2107; RMG #7412 +! Template reaction: Disproportionation +! Flux pairs: CHCHOH(55), CH2CHOH(48); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +HOCO(10)+CHCHOH(55)<=>CO2(9)+CH2CHOH(48) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #2108; RMG #7415 +! Template reaction: Disproportionation +! Flux pairs: CHCHOH(55), CH2CHOH(48); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+CHCHOH(55)<=>CO2(9)+CH2CHOH(48) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2109; RMG #7501 +! Template reaction: H_Abstraction +! Flux pairs: CHCHOH(55), CHCHO(51); O(16), OH(3); +! From training reaction 691 used for O/H/OneDeC;O_atom_triplet +! Exact match found for rate rule [O/H/OneDeC;O_atom_triplet] +! Euclidian distance = 0 +! family: H_Abstraction +O(16)+CHCHOH(55)<=>OH(3)+CHCHO(51) 1.700000e+08 1.500 4.130 + +! Reaction index: Chemkin #2110; RMG #7651 +! PDep reaction: PDepNetwork #319 +! Flux pairs: H(5), CHCHOH(55); CHCHO(51), CHCHOH(55); +H(5)+CHCHO(51)(+M)<=>CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.299e+01 1.382e+00 -7.422e-02 -2.621e-02 / + CHEB/ -1.112e+00 7.997e-02 4.065e-02 1.253e-02 / + CHEB/ -4.506e-01 4.643e-02 2.353e-02 7.216e-03 / + CHEB/ -8.827e-02 -1.212e-02 -4.697e-03 -2.346e-04 / + CHEB/ 2.632e-03 -1.036e-02 -5.117e-03 -1.422e-03 / + CHEB/ 1.532e-02 -2.265e-03 -1.651e-03 -8.989e-04 / + +! Reaction index: Chemkin #2111; RMG #7729 +! Template reaction: Disproportionation +! Flux pairs: CHCHOH(55), CH2CHOH(48); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+CHCHOH(55)<=>FA(1)+CH2CHOH(48) 6.020000e+13 0.000 0.000 + +! Reaction index: Chemkin #2112; RMG #7732 +! Template reaction: Disproportionation +! Flux pairs: CHCHOH(55), CH2CHOH(48); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+CHCHOH(55)<=>FA(1)+CH2CHOH(48) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2113; RMG #8100 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), OCHCHO(52); OH(3), H(5); +OH(3)+CHCHO(51)(+M)<=>H(5)+OCHCHO(52)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.296e+01 -1.268e-01 -6.820e-02 -2.433e-02 / + CHEB/ 3.431e-02 1.122e-01 5.782e-02 1.846e-02 / + CHEB/ -1.211e-02 9.301e-03 6.679e-03 3.754e-03 / + CHEB/ -1.102e-02 -5.501e-03 -2.687e-03 -6.856e-04 / + CHEB/ -6.184e-03 -4.859e-03 -2.718e-03 -1.048e-03 / + CHEB/ -2.730e-03 -1.989e-03 -1.183e-03 -5.208e-04 / + +! Reaction index: Chemkin #2114; RMG #10100 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), CHCHOH(55); CH2(21), CHCHOH(55); +HCO(13)+CH2(21)(+M)<=>CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.560e+00 1.498e+00 -1.369e-02 -6.282e-03 / + CHEB/ 3.547e+00 -5.846e-03 -3.459e-03 -1.511e-03 / + CHEB/ 5.643e-01 8.714e-03 5.200e-03 2.312e-03 / + CHEB/ 1.615e-01 2.445e-03 1.415e-03 5.886e-04 / + CHEB/ 6.359e-02 -3.189e-03 -1.891e-03 -8.307e-04 / + CHEB/ 2.115e-02 -2.971e-03 -1.741e-03 -7.455e-04 / + +! Reaction index: Chemkin #2115; RMG #7983 +! PDep reaction: PDepNetwork #338 +! Flux pairs: CHCHOH(55), H(5); CHCHOH(55), C2H2O(1085); +CHCHOH(55)(+M)<=>H(5)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.098e+01 1.357e+00 -4.550e-02 -7.222e-03 / + CHEB/ 3.090e+01 -2.699e-01 -6.574e-02 -6.717e-03 / + CHEB/ -1.362e-01 -1.538e-01 -1.941e-02 4.603e-03 / + CHEB/ -3.631e-01 -4.417e-02 1.631e-02 9.511e-03 / + CHEB/ -2.410e-01 2.106e-02 2.773e-02 6.342e-03 / + CHEB/ -1.191e-01 4.063e-02 2.029e-02 -1.475e-04 / + +! Reaction index: Chemkin #2116; RMG #7985 +! Template reaction: CO_Disproportionation +! Flux pairs: CHCHO(51), CHCHOH(55); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+CHCHO(51)<=>CO(8)+CHCHOH(55) 9.030000e+13 0.000 0.839 + +! Reaction index: Chemkin #2117; RMG #7986 +! Template reaction: Disproportionation +! Flux pairs: CHCHO(51), CHCHOH(55); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+CHCHO(51)<=>CO2(9)+CHCHOH(55) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2118; RMG #7987 +! Template reaction: Disproportionation +! Flux pairs: CHCHO(51), CHCHOH(55); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+CHCHO(51)<=>CO2(9)+CHCHOH(55) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2119; RMG #4768 +! PDep reaction: PDepNetwork #100 +! Flux pairs: CO(8), C2H3O2(1046); CH2OH(26), C2H3O2(1046); +CO(8)+CH2OH(26)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.564e+00 1.548e-01 -2.563e-02 -2.037e-03 / + CHEB/ 9.544e+00 3.044e-01 -2.972e-02 2.344e-03 / + CHEB/ 4.220e-01 2.158e-01 -2.209e-02 -2.396e-03 / + CHEB/ 5.089e-02 1.294e-01 -4.591e-03 -2.012e-03 / + CHEB/ -2.556e-02 5.572e-02 4.238e-03 -1.496e-03 / + CHEB/ -1.804e-02 1.222e-02 5.747e-03 -4.212e-04 / + +! Reaction index: Chemkin #2120; RMG #5055 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), C2H3O2(1046); +C2H3O2(1042)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.296e+00 1.662e+00 -2.391e-02 -2.094e-03 / + CHEB/ 1.130e+01 2.826e-01 -2.683e-02 2.454e-03 / + CHEB/ 3.263e-01 2.031e-01 -2.115e-02 -2.197e-03 / + CHEB/ 5.566e-02 1.262e-01 -5.146e-03 -1.817e-03 / + CHEB/ -4.913e-02 5.829e-02 3.311e-03 -1.451e-03 / + CHEB/ -5.919e-02 1.611e-02 5.286e-03 -5.273e-04 / + +! Reaction index: Chemkin #2121; RMG #5461 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +OH(3)+C2H3O2(1046)<=>H2O(17)+OCHCHO(52) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #2122; RMG #5466 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C +H(5)+C2H3O2(1046)<=>H2(6)+OCHCHO(52) 2.000000e+13 0.000 0.272 + +! Reaction index: Chemkin #2123; RMG #5576 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), OCHCHO(52); C2H3O2(1046), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2H3O2(1046)<=>FA(1)+OCHCHO(52) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2124; RMG #5578 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), OCHCHO(52); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+C2H3O2(1046)<=>FA(1)+OCHCHO(52) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #2125; RMG #5594 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), OCHCHO(52); C2H3O2(1046), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HCO(13)+C2H3O2(1046)<=>CH2O(12)+OCHCHO(52) 1.810000e+14 0.000 0.725 + +! Reaction index: Chemkin #2126; RMG #5601 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +HO2(4)+C2H3O2(1046)<=>H2O2(18)+OCHCHO(52) 1.210000e+13 0.000 0.685 + +! Reaction index: Chemkin #2127; RMG #5606 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), OCHCHO(52); C2H3O2(1046), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(989)+C2H3O2(1046)<=>CH2O4(1005)+OCHCHO(52) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2128; RMG #5608 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), OCHCHO(52); CHO4(985), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CHO4(985)+C2H3O2(1046)<=>CH2O4(1005)+OCHCHO(52) 1.810000e+13 0.000 0.088 + +! Reaction index: Chemkin #2129; RMG #5612 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), OCHCHO(52); C2H3O2(1046), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+C2H3O2(1046)<=>CH2O3(1000)+OCHCHO(52) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2130; RMG #5621 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +CH3(7)+C2H3O2(1046)<=>CH4(20)+OCHCHO(52) 8.490000e+13 0.000 0.181 + +! Reaction index: Chemkin #2131; RMG #5623 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +CH3O(27)+C2H3O2(1046)<=>CH3OH(25)+OCHCHO(52) 2.410000e+13 0.000 0.290 + +! Reaction index: Chemkin #2132; RMG #5625 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), OCHCHO(52); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +CH2OH(26)+C2H3O2(1046)<=>CH3OH(25)+OCHCHO(52) 4.820000e+12 0.000 0.757 + +! Reaction index: Chemkin #2133; RMG #5627 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +OCHCO(63)+C2H3O2(1046)<=>OCHCHO(52)+OCHCHO(52) 1.810000e+14 0.000 0.755 + +! Reaction index: Chemkin #2134; RMG #5705 +! PDep reaction: PDepNetwork #179 +! Flux pairs: OH(3), C2H3O2(1046); CH2CO(30), C2H3O2(1046); +OH(3)+CH2CO(30)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.409e+00 2.731e-01 -3.508e-02 -1.511e-03 / + CHEB/ 3.441e+00 4.901e-01 -4.378e-02 4.111e-04 / + CHEB/ 5.883e-01 3.081e-01 -1.703e-02 -4.498e-03 / + CHEB/ 5.027e-02 1.359e-01 8.248e-03 -3.455e-03 / + CHEB/ -1.710e-02 2.576e-02 1.318e-02 -9.638e-04 / + CHEB/ 5.155e-03 -1.462e-02 6.824e-03 9.399e-04 / + +! Reaction index: Chemkin #2135; RMG #5820 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCH2O(38)+C2H3O2(1046)<=>OCO(1022)+OCHCHO(52) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2136; RMG #5821 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), OCHCHO(52); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[CH]O(970)+C2H3O2(1046)<=>OCO(1022)+OCHCHO(52) 4.820000e+12 0.000 0.657 + +! Reaction index: Chemkin #2137; RMG #5973 +! Template reaction: Disproportionation +! Flux pairs: O2CHO(67), OCHCHO(52); C2H3O2(1046), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O2CHO(67)+C2H3O2(1046)<=>HO2CHO(68)+OCHCHO(52) 1.810000e+13 0.000 0.182 + +! Reaction index: Chemkin #2138; RMG #5975 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), OCHCHO(52); CHO3(1009), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CHO3(1009)+C2H3O2(1046)<=>HO2CHO(68)+OCHCHO(52) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #2139; RMG #6028 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2HO3(993)+C2H3O2(1046)<=>OCHCHO(52)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2140; RMG #6029 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +C2HO3(991)+C2H3O2(1046)<=>OCHCHO(52)+C2H2O3(977) 1.810000e+14 0.000 0.585 + +! Reaction index: Chemkin #2141; RMG #6407 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C +O(16)+C2H3O2(1046)<=>OH(3)+OCHCHO(52) 9.040000e+13 0.000 0.435 + +! Reaction index: Chemkin #2142; RMG #6460 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CO(8), C2H3O2(1046); CH3O(27), C2H3O2(1046); +CO(8)+CH3O(27)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.375e+01 1.434e+00 -4.501e-02 -1.675e-02 / + CHEB/ 2.484e+01 6.986e-02 3.830e-02 1.551e-02 / + CHEB/ 5.862e-01 1.195e-02 3.653e-03 5.262e-04 / + CHEB/ 3.058e-01 2.321e-03 4.733e-04 -6.354e-04 / + CHEB/ 1.830e-01 -1.864e-03 -3.428e-04 -1.075e-04 / + CHEB/ 1.071e-01 -1.734e-03 -5.186e-04 4.510e-05 / + +! Reaction index: Chemkin #2143; RMG #6510 +! PDep reaction: PDepNetwork #247 +! Flux pairs: H(5), C2H3O2(1046); OCHCHO(52), C2H3O2(1046); +H(5)+OCHCHO(52)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.065e+01 2.718e-01 -3.997e-02 2.021e-03 / + CHEB/ 2.142e+00 4.575e-01 -5.658e-02 -1.170e-04 / + CHEB/ -1.383e-01 2.736e-01 -1.479e-02 -4.832e-03 / + CHEB/ -1.286e-01 1.079e-01 1.047e-02 -4.219e-03 / + CHEB/ -5.534e-02 1.595e-02 1.300e-02 -8.569e-04 / + CHEB/ -9.871e-03 -1.278e-02 5.761e-03 1.098e-03 / + +! Reaction index: Chemkin #2144; RMG #6527 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), C2H3O2(1046); +OCH2CHO(510)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.848e+00 1.008e+00 -1.359e-01 3.004e-03 / + CHEB/ 7.472e+00 9.599e-01 4.218e-02 -2.694e-02 / + CHEB/ 2.924e-01 2.673e-01 4.347e-02 9.955e-03 / + CHEB/ -1.922e-03 9.006e-02 -6.587e-03 1.152e-02 / + CHEB/ -3.235e-02 5.570e-02 -6.944e-03 -6.726e-04 / + CHEB/ -2.233e-02 2.921e-02 5.924e-03 -2.561e-03 / + +! Reaction index: Chemkin #2145; RMG #6826 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +[O]C(O)O(972)+C2H3O2(1046)<=>OC(O)O(1039)+OCHCHO(52) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2146; RMG #6827 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), OCHCHO(52); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[C](O)O(1021)+C2H3O2(1046)<=>OC(O)O(1039)+OCHCHO(52) 4.820000e+12 0.000 0.395 + +! Reaction index: Chemkin #2147; RMG #6832 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1024); CH3CO2(73), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3CO2(73)+C2H3O2(1046)<=>OCHCHO(52)+C2H4O2(1024) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2148; RMG #6833 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +C2H3O2(1046)+C2H3O2(1088)<=>OCHCHO(52)+C2H4O2(1024) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2149; RMG #7000 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +H(5)+C2H3O2(1046)<=>H2(6)+C2H2O2(1030) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2150; RMG #7011 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+C2H3O2(1046)<=>H2O(17)+C2H2O2(1030) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2151; RMG #7040 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2H3O2(1046)<=>FA(1)+C2H2O2(1030) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2152; RMG #7043 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+C2H3O2(1046)<=>FA(1)+C2H2O2(1030) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2153; RMG #7055 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+C2H3O2(1046)<=>CH2O3(1000)+C2H2O2(1030) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2154; RMG #7062 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), OCHCHO(52); CH2CHO(45), CH3CHO(40); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2CHO(45)+C2H3O2(1046)<=>OCHCHO(52)+CH3CHO(40) 1.810000e+13 0.000 0.176 + +! Reaction index: Chemkin #2155; RMG #7063 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), OCHCHO(52); CH3CO(47), CH3CHO(40); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CH3CO(47)+C2H3O2(1046)<=>OCHCHO(52)+CH3CHO(40) 1.810000e+14 0.000 0.629 + +! Reaction index: Chemkin #2156; RMG #7089 +! PDep reaction: PDepNetwork #52 +! Flux pairs: FA(1), C2H3O2(1046); HCO(13), O(16); +HCO(13)+FA(1)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.960e+01 -5.469e-03 -3.338e-03 -1.557e-03 / + CHEB/ 3.217e+01 -2.603e-03 -1.618e-03 -7.744e-04 / + CHEB/ 2.272e-01 -5.807e-04 -3.437e-04 -1.530e-04 / + CHEB/ 3.710e-02 1.433e-03 8.754e-04 4.095e-04 / + CHEB/ 1.311e-03 1.605e-03 9.793e-04 4.555e-04 / + CHEB/ -2.558e-03 9.687e-04 5.893e-04 2.726e-04 / + +! Reaction index: Chemkin #2157; RMG #8172 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), CH3CO2(73); +C2H3O2(1046)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.126e+01 1.598e+00 -4.827e-01 -3.982e-02 / + CHEB/ 2.250e+01 1.181e+00 3.013e-01 -3.193e-02 / + CHEB/ -6.763e-01 1.020e-01 8.836e-02 3.186e-02 / + CHEB/ -2.093e-01 -5.314e-02 -1.119e-02 6.838e-03 / + CHEB/ -5.604e-03 -3.931e-02 -1.619e-02 -2.703e-03 / + CHEB/ 4.685e-02 -1.671e-02 -7.098e-03 -1.615e-03 / + +! Reaction index: Chemkin #2158; RMG #8171 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), C2H3O2(1088); +C2H3O2(1046)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.984e+01 2.082e+00 -3.277e-01 -3.177e-02 / + CHEB/ 2.214e+01 7.653e-01 1.995e-01 -1.860e-02 / + CHEB/ -7.099e-01 3.872e-02 4.967e-02 2.201e-02 / + CHEB/ -2.062e-01 -4.477e-02 -1.444e-02 2.114e-03 / + CHEB/ -1.193e-02 -2.637e-02 -1.221e-02 -3.385e-03 / + CHEB/ 3.690e-02 -9.680e-03 -3.834e-03 -1.094e-03 / + +! Reaction index: Chemkin #2159; RMG #7337 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), C2H3O2(1046); +CH2OCHO(97)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.066e+01 -1.570e-01 -1.762e-01 3.208e-03 / + CHEB/ 1.441e+01 1.379e+00 1.691e-02 -2.291e-02 / + CHEB/ 1.615e-01 4.664e-01 2.641e-02 5.507e-03 / + CHEB/ -1.028e-01 1.597e-01 -7.361e-03 -2.632e-03 / + CHEB/ -2.552e-02 5.291e-02 -3.413e-03 -9.249e-03 / + CHEB/ 2.167e-02 5.817e-03 -3.514e-04 -3.634e-03 / + +! Reaction index: Chemkin #2160; RMG #7361 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), C2H3O2(1046); +O[C]1CO1(1093)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.633e+00 2.364e+00 -2.085e-01 -5.791e-03 / + CHEB/ 1.375e+01 5.517e-01 1.127e-01 -3.447e-02 / + CHEB/ 5.193e-02 1.969e-02 3.638e-02 1.531e-02 / + CHEB/ -1.010e-02 -2.118e-02 -5.720e-03 2.746e-03 / + CHEB/ -2.866e-02 -1.572e-02 -6.777e-03 -1.427e-03 / + CHEB/ -1.910e-02 -8.600e-03 -3.150e-03 -5.090e-04 / + +! Reaction index: Chemkin #2161; RMG #7389 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), C2H3O2(1046); +[O]C1CO1(1094)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.179e+00 9.605e-01 -1.030e-01 -2.987e-03 / + CHEB/ 5.928e+00 9.113e-01 5.224e-02 -1.017e-02 / + CHEB/ 3.328e-01 3.493e-01 -1.116e-02 2.250e-02 / + CHEB/ -7.827e-02 1.779e-01 -3.754e-02 -2.718e-04 / + CHEB/ -4.186e-02 7.597e-02 -5.127e-03 -1.459e-02 / + CHEB/ -1.320e-02 6.840e-03 9.495e-03 -5.019e-03 / + +! Reaction index: Chemkin #2162; RMG #7516 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +O(16)+C2H3O2(1046)<=>OH(3)+C2H2O2(1030) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2163; RMG #7678 +! PDep reaction: PDepNetwork #320 +! Flux pairs: H(5), C2H3O2(1046); C2H2O2(1070), C2H3O2(1046); +H(5)+C2H2O2(1070)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.666e+00 6.289e-01 -8.639e-02 -1.851e-02 / + CHEB/ 6.777e+00 1.021e+00 2.443e-02 -4.298e-03 / + CHEB/ 7.904e-01 -6.851e-02 3.681e-02 9.416e-03 / + CHEB/ 2.625e-02 -1.530e-01 1.697e-02 8.210e-03 / + CHEB/ 3.458e-02 3.379e-02 -1.387e-02 -7.461e-03 / + CHEB/ 6.483e-02 2.239e-02 -1.437e-02 -1.544e-03 / + +! Reaction index: Chemkin #2164; RMG #7716 +! PDep reaction: PDepNetwork #327 +! Flux pairs: H(5), C2H3O2(1046); C2H2O2(1030), C2H3O2(1046); +H(5)+C2H2O2(1030)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.556e+00 7.191e-01 -1.502e-01 1.241e-02 / + CHEB/ 2.365e+00 5.330e-01 2.560e-02 -3.176e-02 / + CHEB/ -3.054e-01 1.337e-01 4.703e-02 -4.006e-03 / + CHEB/ -1.126e-01 3.763e-03 1.581e-02 5.987e-03 / + CHEB/ -1.585e-02 -2.254e-02 -2.146e-04 3.430e-03 / + CHEB/ 1.181e-02 -1.408e-02 -4.072e-03 6.119e-04 / + +! Reaction index: Chemkin #2165; RMG #10086 +! PDep reaction: PDepNetwork #408 +! Flux pairs: C2H3O2(1046), CH2CO(30); H(5), H2O(17); +H(5)+C2H3O2(1046)(+M)<=>H2O(17)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.298e+01 -8.898e-01 -9.963e-02 1.052e-02 / + CHEB/ 7.486e-01 7.409e-01 -1.337e-02 -2.417e-02 / + CHEB/ -9.649e-02 1.956e-01 7.323e-02 -1.254e-02 / + CHEB/ -1.265e-01 -2.472e-02 3.671e-02 1.044e-02 / + CHEB/ -7.029e-02 -4.955e-02 -4.171e-03 1.020e-02 / + CHEB/ -2.931e-02 -2.416e-02 -1.304e-02 1.161e-03 / + +! Reaction index: Chemkin #2166; RMG #10085 +! PDep reaction: PDepNetwork #408 +! Flux pairs: C2H3O2(1046), CH3OH(25); H(5), CO(8); +H(5)+C2H3O2(1046)(+M)<=>CO(8)+CH3OH(25)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.485e+00 -7.638e-01 -1.086e-01 1.052e-02 / + CHEB/ 2.796e+00 7.504e-01 3.015e-02 -2.865e-02 / + CHEB/ 1.747e-01 1.052e-01 8.266e-02 3.264e-04 / + CHEB/ -5.149e-02 -6.570e-02 1.358e-02 1.604e-02 / + CHEB/ -4.274e-02 -4.442e-02 -1.856e-02 4.117e-03 / + CHEB/ -2.027e-02 -1.010e-02 -1.206e-02 -4.195e-03 / + +! Reaction index: Chemkin #2167; RMG #10089 +! PDep reaction: PDepNetwork #408 +! Flux pairs: C2H3O2(1046), CH2OH(26); H(5), HCO(13); +H(5)+C2H3O2(1046)(+M)<=>HCO(13)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.220e+01 -8.180e-01 -1.025e-01 1.006e-02 / + CHEB/ 1.627e+00 7.606e-01 9.510e-03 -2.654e-02 / + CHEB/ 5.285e-02 1.406e-01 8.174e-02 -5.531e-03 / + CHEB/ -1.046e-01 -5.654e-02 2.383e-02 1.488e-02 / + CHEB/ -6.253e-02 -4.902e-02 -1.476e-02 7.210e-03 / + CHEB/ -2.796e-02 -1.485e-02 -1.369e-02 -2.603e-03 / + +! Reaction index: Chemkin #2168; RMG #10084 +! PDep reaction: PDepNetwork #408 +! Flux pairs: H(5), C2H4O2(1056); C2H3O2(1046), C2H4O2(1056); +H(5)+C2H3O2(1046)(+M)<=>C2H4O2(1056)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.343e+01 5.838e-01 -1.062e-01 1.039e-02 / + CHEB/ -9.069e-01 6.953e-01 -3.251e-02 -2.487e-02 / + CHEB/ -4.639e-01 2.050e-01 6.186e-02 -1.698e-02 / + CHEB/ -1.767e-01 -3.133e-03 3.908e-02 6.459e-03 / + CHEB/ -4.374e-02 -3.909e-02 2.889e-03 1.014e-02 / + CHEB/ 2.948e-03 -2.408e-02 -9.107e-03 3.252e-03 / + +! Reaction index: Chemkin #2169; RMG #7946 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +HOCO(10)+C2H3O2(1046)<=>CO2(9)+C2H4O2(1056) 2.855610e+13 -0.375 0.000 + +! Reaction index: Chemkin #2170; RMG #7949 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2H3O2(1046)<=>CO2(9)+C2H4O2(1056) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2171; RMG #7956 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Ext-4CO-R +HCO(13)+C2H3O2(1046)<=>CO(8)+C2H4O2(1056) 1.200000e+14 0.000 0.000 + +! Reaction index: Chemkin #2172; RMG #8103 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), CH2OH(26); OH(3), CO(8); +OH(3)+CHCHO(51)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.173e+01 -1.328e-01 -7.161e-02 -2.574e-02 / + CHEB/ 3.965e-01 1.130e-01 5.826e-02 1.864e-02 / + CHEB/ 7.577e-02 8.513e-03 6.110e-03 3.414e-03 / + CHEB/ 4.703e-03 -5.322e-03 -2.582e-03 -6.439e-04 / + CHEB/ -5.209e-03 -4.943e-03 -2.738e-03 -1.033e-03 / + CHEB/ -2.073e-03 -2.104e-03 -1.230e-03 -5.232e-04 / + +! Reaction index: Chemkin #2173; RMG #8053 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CH2OH(26), CHCHOH(55); CO(8), O(16); +CO(8)+CH2OH(26)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.931e+01 -4.694e-03 -2.891e-03 -1.371e-03 / + CHEB/ 4.003e+01 3.415e-03 2.102e-03 9.962e-04 / + CHEB/ 3.509e-01 -1.095e-03 -6.730e-04 -3.177e-04 / + CHEB/ 8.909e-02 -2.323e-04 -1.438e-04 -6.885e-05 / + CHEB/ 1.596e-02 -7.408e-05 -4.519e-05 -2.108e-05 / + CHEB/ 2.561e-03 3.223e-05 2.009e-05 9.727e-06 / + +! Reaction index: Chemkin #2174; RMG #8105 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), CH3O(27); OH(3), CO(8); +OH(3)+CHCHO(51)(+M)<=>CO(8)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.772e+00 -6.341e-02 -3.569e-02 -1.452e-02 / + CHEB/ 4.187e+00 6.239e-02 3.491e-02 1.393e-02 / + CHEB/ 6.296e-01 -1.806e-03 -7.924e-04 3.166e-05 / + CHEB/ 1.683e-01 -3.933e-03 -2.324e-03 -1.062e-03 / + CHEB/ 4.696e-02 -1.638e-03 -9.411e-04 -4.412e-04 / + CHEB/ 1.437e-02 -3.103e-04 -1.650e-04 -6.604e-05 / + +! Reaction index: Chemkin #2175; RMG #8057 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), CHCHOH(55); CO(8), O(16); +CO(8)+CH3O(27)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.010e+01 -3.020e-03 -1.771e-03 -7.780e-04 / + CHEB/ 3.941e+01 2.804e-03 1.649e-03 7.318e-04 / + CHEB/ 1.082e+00 4.688e-06 -4.088e-05 -5.412e-05 / + CHEB/ 3.012e-01 -1.584e-04 -7.394e-05 -2.047e-05 / + CHEB/ 4.997e-02 -1.873e-04 -9.751e-05 -3.184e-05 / + CHEB/ -1.060e-02 -4.454e-05 -3.115e-05 -1.627e-05 / + +! Reaction index: Chemkin #2176; RMG #8093 +! PDep reaction: PDepNetwork #304 +! Flux pairs: OH(3), C2H3O2(1042); CHCHO(51), C2H3O2(1042); +OH(3)+CHCHO(51)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.445e+00 1.388e+00 -7.177e-02 -2.579e-02 / + CHEB/ 1.599e-01 1.130e-01 5.825e-02 1.863e-02 / + CHEB/ 2.923e-01 8.714e-03 6.216e-03 3.450e-03 / + CHEB/ 1.135e-01 -5.196e-03 -2.509e-03 -6.138e-04 / + CHEB/ 4.210e-04 -4.904e-03 -2.714e-03 -1.021e-03 / + CHEB/ -3.190e-02 -2.098e-03 -1.225e-03 -5.199e-04 / + +! Reaction index: Chemkin #2177; RMG #8061 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), O(16); C2H3O2(1042), CHCHOH(55); +C2H3O2(1042)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.339e+01 1.516e+00 -2.875e-03 -1.365e-03 / + CHEB/ 4.203e+01 3.457e-03 2.128e-03 1.007e-03 / + CHEB/ 3.165e-01 -1.071e-03 -6.578e-04 -3.104e-04 / + CHEB/ 9.893e-02 -2.179e-04 -1.349e-04 -6.467e-05 / + CHEB/ -9.949e-03 -6.470e-05 -3.971e-05 -1.870e-05 / + CHEB/ -3.787e-02 3.782e-05 2.333e-05 1.110e-05 / + +! Reaction index: Chemkin #2178; RMG #8104 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), CH2CO(30); OH(3), OH(3); +OH(3)+CHCHO(51)(+M)<=>OH(3)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.685e+00 -1.306e-01 -6.981e-02 -2.472e-02 / + CHEB/ 1.150e+00 1.201e-01 6.125e-02 1.928e-02 / + CHEB/ 3.016e-01 7.419e-03 6.061e-03 3.698e-03 / + CHEB/ 7.854e-02 -6.701e-03 -3.360e-03 -8.972e-04 / + CHEB/ 2.280e-02 -4.974e-03 -2.871e-03 -1.176e-03 / + CHEB/ 1.135e-02 -1.651e-03 -1.009e-03 -4.742e-04 / + +! Reaction index: Chemkin #2179; RMG #8065 +! PDep reaction: PDepNetwork #179 +! Flux pairs: CH2CO(30), CHCHOH(55); OH(3), O(16); +OH(3)+CH2CO(30)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.870e+01 -6.204e-03 -3.770e-03 -1.742e-03 / + CHEB/ 3.177e+01 5.516e-03 3.318e-03 1.503e-03 / + CHEB/ 4.589e-01 -1.264e-03 -7.501e-04 -3.309e-04 / + CHEB/ 1.213e-01 -4.775e-04 -2.928e-04 -1.372e-04 / + CHEB/ 2.729e-02 -1.525e-05 -1.337e-05 -9.961e-06 / + CHEB/ 8.139e-03 9.036e-05 5.578e-05 2.649e-05 / + +! Reaction index: Chemkin #2180; RMG #8099 +! PDep reaction: PDepNetwork #304 +! Flux pairs: OH(3), CH3CO2(73); CHCHO(51), CH3CO2(73); +OH(3)+CHCHO(51)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.236e+00 9.521e-01 -2.730e-01 -7.594e-02 / + CHEB/ 8.110e-02 5.860e-01 2.592e-01 5.483e-02 / + CHEB/ -7.331e-02 -2.493e-02 8.356e-03 1.650e-02 / + CHEB/ -1.530e-02 -3.725e-02 -2.025e-02 -6.192e-03 / + CHEB/ 2.352e-02 -1.308e-02 -8.242e-03 -3.934e-03 / + CHEB/ 3.262e-02 -3.000e-03 -1.887e-03 -9.489e-04 / + +! Reaction index: Chemkin #2181; RMG #8069 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), O(16); CH3CO2(73), CHCHOH(55); +CH3CO2(73)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.785e+01 1.492e+00 -1.752e-02 -8.024e-03 / + CHEB/ 4.341e+01 3.124e-02 1.877e-02 8.469e-03 / + CHEB/ -6.752e-02 -5.479e-03 -3.182e-03 -1.334e-03 / + CHEB/ 2.134e-02 -2.490e-03 -1.552e-03 -7.510e-04 / + CHEB/ 5.330e-02 -2.610e-04 -1.740e-04 -9.525e-05 / + CHEB/ 4.207e-02 1.163e-04 7.385e-05 3.683e-05 / + +! Reaction index: Chemkin #2182; RMG #8094 +! PDep reaction: PDepNetwork #304 +! Flux pairs: OH(3), OCH2CHO(510); CHCHO(51), OCH2CHO(510); +OH(3)+CHCHO(51)(+M)<=>OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.798e+00 1.371e+00 -7.857e-02 -2.762e-02 / + CHEB/ 2.554e-01 1.026e-01 5.253e-02 1.689e-02 / + CHEB/ 1.285e-01 7.863e-03 5.229e-03 2.965e-03 / + CHEB/ 7.085e-02 -5.608e-03 -2.760e-03 -8.158e-04 / + CHEB/ 1.715e-03 -5.427e-03 -2.767e-03 -9.999e-04 / + CHEB/ -2.920e-02 -2.692e-03 -1.357e-03 -4.836e-04 / + +! Reaction index: Chemkin #2183; RMG #8073 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), O(16); OCH2CHO(510), CHCHOH(55); +OCH2CHO(510)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.680e+01 1.517e+00 -1.928e-03 -8.435e-04 / + CHEB/ 3.648e+01 2.722e-03 1.597e-03 7.077e-04 / + CHEB/ 6.840e-01 8.983e-05 -2.571e-06 -4.612e-05 / + CHEB/ 2.394e-01 -1.136e-04 -4.968e-05 -1.230e-05 / + CHEB/ 3.453e-02 -2.100e-04 -1.066e-04 -3.296e-05 / + CHEB/ -3.518e-02 -7.925e-05 -4.945e-05 -2.234e-05 / + +! Reaction index: Chemkin #2184; RMG #8098 +! PDep reaction: PDepNetwork #304 +! Flux pairs: OH(3), C2H3O2(1088); CHCHO(51), C2H3O2(1088); +OH(3)+CHCHO(51)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.369e+00 1.197e+00 -1.611e-01 -4.946e-02 / + CHEB/ -1.375e-01 3.436e-01 1.585e-01 3.863e-02 / + CHEB/ -8.354e-02 -3.810e-02 -6.216e-03 7.143e-03 / + CHEB/ -1.326e-02 -2.454e-02 -1.553e-02 -6.410e-03 / + CHEB/ 1.351e-02 -4.991e-03 -3.809e-03 -2.464e-03 / + CHEB/ 2.035e-02 -2.479e-04 -1.987e-05 3.686e-06 / + +! Reaction index: Chemkin #2185; RMG #8077 +! PDep reaction: PDepNetwork #256 +! Flux pairs: C2H3O2(1088), O(16); C2H3O2(1088), CHCHOH(55); +C2H3O2(1088)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.170e+01 1.495e+00 -1.536e-02 -6.936e-03 / + CHEB/ 4.652e+01 2.661e-02 1.582e-02 6.989e-03 / + CHEB/ -2.705e-01 -4.293e-03 -2.435e-03 -9.686e-04 / + CHEB/ -8.818e-02 -2.237e-03 -1.386e-03 -6.625e-04 / + CHEB/ -1.030e-02 -2.347e-04 -1.596e-04 -8.973e-05 / + CHEB/ 1.389e-02 8.867e-05 5.570e-05 2.711e-05 / + +! Reaction index: Chemkin #2186; RMG #8096 +! PDep reaction: PDepNetwork #304 +! Flux pairs: OH(3), CH2OCHO(97); CHCHO(51), CH2OCHO(97); +OH(3)+CHCHO(51)(+M)<=>CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.576e+00 6.632e-01 -2.842e-01 -2.938e-02 / + CHEB/ 2.453e-01 4.285e-01 7.852e-02 -1.838e-02 / + CHEB/ -5.925e-02 5.871e-02 2.755e-02 1.230e-03 / + CHEB/ -1.024e-02 -3.009e-02 2.198e-04 4.972e-03 / + CHEB/ 1.661e-02 -3.402e-02 -7.294e-03 2.878e-03 / + CHEB/ 1.574e-02 -1.527e-02 -5.192e-03 4.596e-04 / + +! Reaction index: Chemkin #2187; RMG #8081 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), O(16); CH2OCHO(97), CHCHOH(55); +CH2OCHO(97)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.380e+01 1.319e+00 -1.024e-01 -3.202e-02 / + CHEB/ 4.185e+01 1.680e-01 7.831e-02 1.866e-02 / + CHEB/ 9.245e-02 2.035e-02 1.395e-02 7.012e-03 / + CHEB/ 6.147e-02 -1.184e-02 -4.778e-03 -3.327e-04 / + CHEB/ 5.601e-02 -9.952e-03 -5.393e-03 -1.862e-03 / + CHEB/ 2.445e-02 -2.413e-03 -1.704e-03 -9.319e-04 / + +! Reaction index: Chemkin #2188; RMG #8097 +! PDep reaction: PDepNetwork #304 +! Flux pairs: OH(3), O[C]1CO1(1093); CHCHO(51), O[C]1CO1(1093); +OH(3)+CHCHO(51)(+M)<=>O[C]1CO1(1093)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.245e+00 1.300e+00 -1.059e-01 -2.925e-02 / + CHEB/ 1.435e+00 2.450e-01 1.068e-01 2.108e-02 / + CHEB/ 6.018e-01 -4.370e-02 -1.039e-02 4.748e-03 / + CHEB/ 1.629e-01 -1.251e-02 -9.386e-03 -4.494e-03 / + CHEB/ 3.621e-03 -1.056e-03 -1.381e-03 -1.350e-03 / + CHEB/ -2.373e-02 -4.594e-04 9.581e-06 1.413e-04 / + +! Reaction index: Chemkin #2189; RMG #8085 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), O(16); O[C]1CO1(1093), CHCHOH(55); +O[C]1CO1(1093)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.436e+01 1.508e+00 -7.770e-03 -3.462e-03 / + CHEB/ 3.384e+01 1.406e-02 8.271e-03 3.572e-03 / + CHEB/ 3.951e-01 -5.059e-03 -2.934e-03 -1.230e-03 / + CHEB/ 6.414e-02 -6.213e-04 -4.153e-04 -2.247e-04 / + CHEB/ -4.269e-02 2.236e-04 1.267e-04 4.953e-05 / + CHEB/ -4.723e-02 -2.759e-06 3.896e-06 6.739e-06 / + +! Reaction index: Chemkin #2190; RMG #8095 +! PDep reaction: PDepNetwork #304 +! Flux pairs: OH(3), [O]C1CO1(1094); CHCHO(51), [O]C1CO1(1094); +OH(3)+CHCHO(51)(+M)<=>[O]C1CO1(1094)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.201e+00 1.050e+00 -1.227e-01 4.648e-04 / + CHEB/ 9.525e-01 1.907e-01 9.039e-04 -1.653e-02 / + CHEB/ 4.649e-03 4.868e-02 1.377e-02 -6.680e-03 / + CHEB/ -5.179e-02 -1.418e-03 8.935e-03 3.572e-03 / + CHEB/ -3.613e-02 -1.213e-02 2.042e-03 4.404e-03 / + CHEB/ -3.680e-02 -7.085e-03 -1.101e-03 1.784e-03 / + +! Reaction index: Chemkin #2191; RMG #8089 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), O(16); [O]C1CO1(1094), CHCHOH(55); +[O]C1CO1(1094)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.342e+01 1.420e+00 -4.630e-02 -1.036e-02 / + CHEB/ 3.378e+01 7.944e-02 3.089e-02 2.076e-03 / + CHEB/ 2.748e-01 2.129e-02 1.319e-02 5.625e-03 / + CHEB/ 5.341e-02 -3.770e-03 -2.709e-04 1.381e-03 / + CHEB/ 1.098e-02 -5.882e-03 -2.936e-03 -7.466e-04 / + CHEB/ -2.837e-02 -1.899e-03 -1.343e-03 -7.196e-04 / + +! Reaction index: Chemkin #2192; RMG #8092 +! PDep reaction: PDepNetwork #304 +! Flux pairs: OH(3), C2H3O2(1046); CHCHO(51), C2H3O2(1046); +OH(3)+CHCHO(51)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.137e+01 1.378e+00 -7.668e-02 -2.723e-02 / + CHEB/ -5.910e-01 1.007e-01 5.102e-02 1.551e-02 / + CHEB/ -1.994e-01 7.980e-03 5.766e-03 3.231e-03 / + CHEB/ -4.110e-02 -5.821e-03 -2.748e-03 -6.227e-04 / + CHEB/ 1.627e-02 -6.115e-03 -3.245e-03 -1.107e-03 / + CHEB/ 2.451e-02 -3.409e-03 -1.861e-03 -6.864e-04 / + +! Reaction index: Chemkin #2193; RMG #8101 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), C2H2O2(1030); OH(3), H(5); +OH(3)+CHCHO(51)(+M)<=>H(5)+C2H2O2(1030)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.108e+01 -1.210e-01 -6.519e-02 -2.337e-02 / + CHEB/ 5.283e-01 1.129e-01 5.849e-02 1.892e-02 / + CHEB/ 1.073e-01 6.855e-03 5.416e-03 3.357e-03 / + CHEB/ 1.099e-02 -6.615e-03 -3.357e-03 -9.833e-04 / + CHEB/ -4.099e-03 -4.740e-03 -2.707e-03 -1.091e-03 / + CHEB/ -1.553e-03 -1.610e-03 -9.919e-04 -4.647e-04 / + +! Reaction index: Chemkin #2194; RMG #8102 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), CHCHOH(55); OH(3), O(16); +OH(3)+CHCHO(51)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.617e+00 -2.085e-03 -1.285e-03 -6.104e-04 / + CHEB/ 1.548e+01 1.666e-03 1.026e-03 4.865e-04 / + CHEB/ 3.832e-01 -2.906e-05 -1.739e-05 -7.760e-06 / + CHEB/ 1.075e-01 -1.310e-04 -8.073e-05 -3.831e-05 / + CHEB/ 2.913e-02 -1.053e-04 -6.493e-05 -3.086e-05 / + CHEB/ 9.017e-03 -5.414e-05 -3.340e-05 -1.588e-05 / + +! Reaction index: Chemkin #2195; RMG #8106 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), CH2CHO(45); OH(3), O(16); +OH(3)+CHCHO(51)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.301e+00 -1.867e-02 -1.100e-02 -4.906e-03 / + CHEB/ 7.362e+00 1.664e-02 9.902e-03 4.486e-03 / + CHEB/ 5.092e-01 -1.871e-04 -2.204e-04 -1.504e-04 / + CHEB/ 1.562e-01 -9.454e-04 -5.909e-04 -3.038e-04 / + CHEB/ 4.842e-02 -5.500e-04 -3.084e-04 -1.361e-04 / + CHEB/ 1.645e-02 -1.631e-04 -8.471e-05 -2.835e-05 / + +! Reaction index: Chemkin #2196; RMG #8107 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), OCHO(11); OH(3), CH2(S)(22); +OH(3)+CHCHO(51)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.657e+00 -1.909e-01 -7.129e-02 -5.954e-03 / + CHEB/ 9.533e+00 1.001e-01 1.869e-02 -1.350e-02 / + CHEB/ 2.499e-01 3.491e-02 1.794e-02 3.926e-03 / + CHEB/ 4.490e-02 2.340e-04 4.595e-03 4.383e-03 / + CHEB/ 1.846e-03 -6.461e-03 -1.318e-03 1.344e-03 / + CHEB/ -4.322e-03 -2.542e-03 -1.371e-03 -2.766e-04 / + +! Reaction index: Chemkin #2197; RMG #8108 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), CH2CHO(45); OH(3), O-2(1040); +OH(3)+CHCHO(51)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.988e+01 -5.915e-02 -3.043e-02 -9.597e-03 / + CHEB/ 2.111e+01 4.998e-02 2.356e-02 5.492e-03 / + CHEB/ 1.995e-01 9.262e-03 6.222e-03 3.190e-03 / + CHEB/ 6.782e-02 -3.953e-03 -1.632e-03 -1.025e-04 / + CHEB/ 3.535e-02 -3.224e-03 -1.845e-03 -7.254e-04 / + CHEB/ 1.556e-02 -4.559e-04 -3.935e-04 -2.737e-04 / + +! Reaction index: Chemkin #2198; RMG #8109 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), cC2H3O(61); OH(3), O(16); +OH(3)+CHCHO(51)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.583e+01 -7.888e-02 -3.847e-02 -1.047e-02 / + CHEB/ 1.844e+01 6.370e-02 2.751e-02 4.307e-03 / + CHEB/ 3.137e-01 1.511e-02 9.653e-03 4.484e-03 / + CHEB/ 1.037e-01 -3.917e-03 -1.064e-03 5.559e-04 / + CHEB/ 4.498e-02 -4.391e-03 -2.352e-03 -7.674e-04 / + CHEB/ 1.980e-02 -9.588e-04 -7.480e-04 -4.599e-04 / + +! Reaction index: Chemkin #2199; RMG #8110 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), C2H2O2(1070); OH(3), H(5); +OH(3)+CHCHO(51)(+M)<=>H(5)+C2H2O2(1070)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.059e+00 -2.285e-01 -9.086e-02 -2.132e-02 / + CHEB/ 1.964e+00 2.649e-01 9.810e-02 1.772e-02 / + CHEB/ 6.751e-01 -3.410e-02 -9.059e-03 2.366e-03 / + CHEB/ 1.924e-01 -2.090e-02 -8.694e-03 -3.518e-03 / + CHEB/ 4.444e-02 -2.305e-03 -9.683e-04 -3.971e-04 / + CHEB/ 1.290e-02 2.256e-03 4.998e-04 2.860e-04 / + +! Reaction index: Chemkin #2200; RMG #8111 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), OCHO(11); OH(3), CH2(21); +OH(3)+CHCHO(51)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.314e-01 -4.583e-01 -1.859e-01 -3.242e-02 / + CHEB/ 7.360e+00 3.085e-01 9.446e-02 -3.982e-03 / + CHEB/ 4.497e-01 4.446e-02 2.675e-02 7.913e-03 / + CHEB/ 7.304e-02 -1.859e-02 -2.025e-03 3.892e-03 / + CHEB/ -5.327e-03 -1.944e-02 -7.274e-03 -1.415e-05 / + CHEB/ -1.136e-02 -6.165e-03 -3.508e-03 -1.033e-03 / + +! Reaction index: Chemkin #2201; RMG #8112 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), HOCO(10); OH(3), CH2(21); +OH(3)+CHCHO(51)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.745e+00 -2.132e-01 -1.102e-01 -3.676e-02 / + CHEB/ 3.347e+00 2.603e-01 1.281e-01 3.755e-02 / + CHEB/ 5.615e-01 -5.295e-02 -1.909e-02 -1.020e-04 / + CHEB/ 1.151e-01 -1.434e-02 -1.074e-02 -5.732e-03 / + CHEB/ 2.273e-02 1.619e-03 3.855e-04 -4.827e-04 / + CHEB/ 8.308e-03 1.351e-03 1.019e-03 5.899e-04 / + +! Reaction index: Chemkin #2202; RMG #8113 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), C2H3O(1084); OH(3), O(16); +OH(3)+CHCHO(51)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.087e+01 -3.000e-02 -1.792e-02 -8.003e-03 / + CHEB/ 1.406e+01 3.300e-02 1.949e-02 8.501e-03 / + CHEB/ 2.843e-01 -5.480e-03 -3.058e-03 -1.171e-03 / + CHEB/ 1.080e-01 -2.325e-03 -1.457e-03 -7.090e-04 / + CHEB/ 4.717e-02 -7.299e-05 -6.569e-05 -5.076e-05 / + CHEB/ 2.224e-02 1.502e-04 9.545e-05 4.750e-05 / + +! Reaction index: Chemkin #2203; RMG #8114 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), CH3CO(47); OH(3), O(16); +OH(3)+CHCHO(51)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.586e-01 -2.741e-01 -1.458e-01 -5.120e-02 / + CHEB/ 5.275e+00 3.212e-01 1.644e-01 5.225e-02 / + CHEB/ 4.966e-01 -4.367e-02 -1.527e-02 1.001e-03 / + CHEB/ 1.337e-01 -1.813e-02 -1.181e-02 -5.591e-03 / + CHEB/ 3.493e-02 -1.829e-03 -1.564e-03 -1.157e-03 / + CHEB/ 1.291e-02 6.482e-04 3.839e-04 1.476e-04 / + +! Reaction index: Chemkin #2204; RMG #8124 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), CHCHOH(55); H(5), O(16); +H(5)+C2H2O2(1070)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.148e+01 -1.265e-02 -7.530e-03 -3.341e-03 / + CHEB/ 2.698e+01 1.422e-02 8.359e-03 3.613e-03 / + CHEB/ 3.694e-01 -4.774e-03 -2.772e-03 -1.164e-03 / + CHEB/ 9.658e-02 -4.494e-04 -3.070e-04 -1.725e-04 / + CHEB/ 3.009e-02 2.803e-04 1.655e-04 7.102e-05 / + CHEB/ 1.740e-02 1.626e-05 1.545e-05 1.237e-05 / + +! Reaction index: Chemkin #2205; RMG #8128 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), CHCHOH(55); H(5), O(16); +H(5)+C2H2O2(1030)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.812e+01 -2.208e-03 -1.361e-03 -6.462e-04 / + CHEB/ 2.477e+01 1.674e-03 1.031e-03 4.885e-04 / + CHEB/ 1.497e-01 -1.019e-04 -6.217e-05 -2.890e-05 / + CHEB/ 3.565e-02 -1.543e-04 -9.515e-05 -4.520e-05 / + CHEB/ 7.888e-03 -1.146e-04 -7.064e-05 -3.356e-05 / + CHEB/ 6.093e-03 -5.133e-05 -3.168e-05 -1.507e-05 / + +! Reaction index: Chemkin #2206; RMG #8138 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), O(16); C2H3O2(1046), CHCHOH(55); +C2H3O2(1046)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.339e+01 1.518e+00 -1.362e-03 -6.467e-04 / + CHEB/ 4.255e+01 1.596e-03 9.826e-04 4.657e-04 / + CHEB/ -1.240e-01 -4.432e-05 -2.678e-05 -1.222e-05 / + CHEB/ -1.993e-02 -1.452e-04 -8.944e-05 -4.241e-05 / + CHEB/ 2.824e-02 -1.241e-04 -7.648e-05 -3.631e-05 / + CHEB/ 3.182e-02 -7.026e-05 -4.331e-05 -2.057e-05 / + +! Reaction index: Chemkin #2207; RMG #8144 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1056), C2H3O2(1046); H(5), H2(6); +! Estimated using template [C/H2/OneDe;H_rad] for rate rule [C/H2/OneDeO;H_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(5)+C2H4O2(1056)<=>H2(6)+C2H3O2(1046) 1.262676e+01 3.842 1.594 + +! Reaction index: Chemkin #2208; RMG #8146 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1056), C2H3O2(1046); OH(3), H2O(17); +! Estimated using template [C/H2/OneDe;O_pri_rad] for rate rule [C/H2/OneDeO;O_pri_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+C2H4O2(1056)<=>H2O(17)+C2H3O2(1046) 1.257458e+02 3.312 -2.924 + +! Reaction index: Chemkin #2209; RMG #7150 +! PDep reaction: PDepNetwork #180 +! Flux pairs: OH(3), OC1[CH]O1(1140); CH2CO(30), OC1[CH]O1(1140); +OH(3)+CH2CO(30)(+M)<=>OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.143e-01 -8.482e-02 -1.280e-01 -7.267e-03 / + CHEB/ 5.211e+00 1.118e+00 4.729e-02 -4.376e-03 / + CHEB/ 7.452e-01 2.639e-01 1.001e-02 5.723e-03 / + CHEB/ 1.713e-01 6.489e-02 -3.558e-03 -4.160e-03 / + CHEB/ 4.871e-02 6.094e-03 8.855e-03 -3.736e-03 / + CHEB/ 2.013e-02 -1.720e-02 8.551e-03 8.881e-04 / + +! Reaction index: Chemkin #2210; RMG #8212 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), CH3CO2(73); +OC1[CH]O1(1140)(+M)<=>CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.176e+01 2.077e+00 -3.220e-01 -2.675e-02 / + CHEB/ 1.438e+01 8.594e-01 2.193e-01 -2.371e-02 / + CHEB/ -4.219e-01 5.980e-02 6.606e-02 2.680e-02 / + CHEB/ -4.544e-02 -4.045e-02 -9.558e-03 5.384e-03 / + CHEB/ 4.498e-02 -2.482e-02 -1.192e-02 -2.797e-03 / + CHEB/ 3.198e-02 -9.677e-03 -4.753e-03 -1.540e-03 / + +! Reaction index: Chemkin #2211; RMG #8211 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), C2H3O2(1088); +OC1[CH]O1(1140)(+M)<=>C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.035e+01 2.570e+00 -1.609e-01 -1.704e-02 / + CHEB/ 1.400e+01 4.383e-01 1.168e-01 -8.177e-03 / + CHEB/ -4.663e-01 -1.036e-02 2.207e-02 1.519e-02 / + CHEB/ -4.538e-02 -3.222e-02 -1.466e-02 -1.170e-03 / + CHEB/ 3.901e-02 -9.031e-03 -6.923e-03 -3.801e-03 / + CHEB/ 2.267e-02 -5.578e-04 -1.530e-04 -5.697e-04 / + +! Reaction index: Chemkin #2212; RMG #7164 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), OC1[CH]O1(1140); +O[C]1CO1(1093)(+M)<=>OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.007e+01 2.828e+00 -4.601e-02 9.765e-03 / + CHEB/ 1.408e+01 2.029e-01 1.809e-02 -2.585e-02 / + CHEB/ 2.957e-01 -3.440e-02 4.693e-03 6.103e-03 / + CHEB/ 1.707e-01 -7.360e-03 -5.316e-03 -8.067e-04 / + CHEB/ 4.569e-02 2.241e-03 -1.459e-04 -1.025e-03 / + CHEB/ -1.643e-02 -2.465e-04 9.335e-04 6.407e-04 / + +! Reaction index: Chemkin #2213; RMG #8227 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), CO(8); OC1[CH]O1(1140), CH2OH(26); +OC1[CH]O1(1140)(+M)<=>CO(8)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.752e+00 -3.665e-01 -1.172e-01 -2.525e-03 / + CHEB/ 7.254e+00 1.070e+00 2.475e-02 -1.039e-02 / + CHEB/ 1.517e-01 2.775e-01 1.616e-02 5.452e-03 / + CHEB/ -1.743e-02 5.884e-02 -9.186e-03 6.148e-04 / + CHEB/ -4.128e-02 2.302e-02 -3.605e-03 -3.393e-03 / + CHEB/ -3.887e-02 8.477e-03 4.916e-03 -1.473e-03 / + +! Reaction index: Chemkin #2214; RMG #8224 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), CO(8); OC1[CH]O1(1140), CH3O(27); +OC1[CH]O1(1140)(+M)<=>CO(8)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.118e+01 1.390e+00 -4.899e-02 -1.119e-02 / + CHEB/ 2.314e+01 7.856e-02 3.074e-02 1.126e-02 / + CHEB/ 5.050e-01 4.279e-02 7.752e-03 -4.532e-03 / + CHEB/ 3.118e-01 1.013e-02 6.853e-03 7.864e-04 / + CHEB/ 1.787e-01 -5.556e-03 1.415e-03 2.259e-03 / + CHEB/ 7.477e-02 -4.021e-03 -1.382e-03 4.779e-04 / + +! Reaction index: Chemkin #2215; RMG #8214 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), C2H3O2(1042); +OC1[CH]O1(1140)(+M)<=>C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.319e+00 1.123e+00 -1.153e-01 -1.994e-03 / + CHEB/ 6.886e+00 1.058e+00 2.394e-02 -1.085e-02 / + CHEB/ 3.337e-01 2.820e-01 1.783e-02 5.210e-03 / + CHEB/ 8.527e-02 6.042e-02 -8.449e-03 1.149e-03 / + CHEB/ -3.637e-02 2.422e-02 -4.521e-03 -3.110e-03 / + CHEB/ -6.984e-02 1.110e-02 4.087e-03 -1.614e-03 / + +! Reaction index: Chemkin #2216; RMG #7281 +! PDep reaction: PDepNetwork #247 +! Flux pairs: H(5), OC1[CH]O1(1140); OCHCHO(52), OC1[CH]O1(1140); +H(5)+OCHCHO(52)(+M)<=>OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.576e+00 6.526e-02 -1.427e-01 -1.447e-02 / + CHEB/ 3.289e+00 8.628e-01 5.305e-02 7.886e-03 / + CHEB/ 1.357e-01 2.679e-01 -6.852e-03 1.930e-03 / + CHEB/ -5.541e-03 6.594e-02 1.570e-03 -7.214e-03 / + CHEB/ -4.405e-03 -3.862e-04 1.131e-02 -2.591e-03 / + CHEB/ -4.346e-03 -1.565e-02 6.757e-03 1.727e-03 / + +! Reaction index: Chemkin #2217; RMG #8213 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), OCH2CHO(510); +OC1[CH]O1(1140)(+M)<=>OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.221e+00 7.922e-01 -2.231e-01 -7.968e-03 / + CHEB/ 8.266e+00 1.493e+00 1.493e-01 -1.790e-02 / + CHEB/ 4.045e-01 2.350e-01 3.767e-02 2.138e-02 / + CHEB/ 1.037e-01 6.792e-02 -2.525e-02 4.838e-03 / + CHEB/ 1.396e-02 5.405e-02 -6.500e-03 -4.163e-03 / + CHEB/ -2.579e-02 2.363e-02 8.660e-03 -1.624e-03 / + +! Reaction index: Chemkin #2218; RMG #8215 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), CH2OCHO(97); +OC1[CH]O1(1140)(+M)<=>CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.893e+00 -1.757e-01 -2.268e-01 5.019e-04 / + CHEB/ 9.224e+00 2.025e+00 1.508e-01 -3.535e-03 / + CHEB/ 4.032e-01 4.727e-01 -5.433e-03 -2.993e-03 / + CHEB/ 4.184e-02 1.019e-01 -6.437e-02 -2.646e-02 / + CHEB/ 1.873e-02 -2.720e-03 -2.927e-02 -1.236e-02 / + CHEB/ 1.457e-02 -2.597e-02 -9.639e-04 7.681e-03 / + +! Reaction index: Chemkin #2219; RMG #7370 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), OC1[CH]O1(1140); +[O]C1CO1(1094)(+M)<=>OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.287e+00 8.574e-01 -1.577e-01 -6.088e-03 / + CHEB/ 7.574e+00 1.517e+00 1.724e-01 1.202e-02 / + CHEB/ 6.463e-01 3.310e-01 -4.027e-02 1.780e-02 / + CHEB/ 1.125e-01 9.375e-02 -8.113e-02 -2.344e-02 / + CHEB/ 3.474e-02 -2.613e-03 -1.810e-02 -1.798e-02 / + CHEB/ -2.333e-03 -3.924e-02 1.619e-02 5.655e-03 / + +! Reaction index: Chemkin #2220; RMG #7674 +! PDep reaction: PDepNetwork #320 +! Flux pairs: H(5), OC1[CH]O1(1140); C2H2O2(1070), OC1[CH]O1(1140); +H(5)+C2H2O2(1070)(+M)<=>OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.681e-02 1.014e+00 2.856e-02 9.156e-03 / + CHEB/ 7.870e+00 7.295e-01 -7.016e-02 -2.691e-02 / + CHEB/ 8.755e-01 -2.863e-01 2.563e-02 1.861e-02 / + CHEB/ 2.257e-01 2.597e-02 2.420e-02 -7.196e-03 / + CHEB/ 1.282e-01 3.281e-02 -3.020e-02 -1.949e-03 / + CHEB/ 5.044e-02 -1.772e-02 7.230e-03 5.456e-03 / + +! Reaction index: Chemkin #2221; RMG #7718 +! PDep reaction: PDepNetwork #327 +! Flux pairs: H(5), OC1[CH]O1(1140); C2H2O2(1030), OC1[CH]O1(1140); +H(5)+C2H2O2(1030)(+M)<=>OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.095e+00 7.192e-01 -1.660e-01 2.692e-03 / + CHEB/ 3.074e+00 5.909e-01 5.589e-02 -2.355e-02 / + CHEB/ -3.726e-02 1.323e-01 5.065e-02 -2.039e-03 / + CHEB/ 3.343e-02 -7.947e-03 1.216e-02 5.525e-03 / + CHEB/ 3.383e-02 -2.644e-02 -2.711e-03 2.952e-03 / + CHEB/ 1.008e-02 -1.349e-02 -4.524e-03 3.494e-04 / + +! Reaction index: Chemkin #2222; RMG #8115 +! PDep reaction: PDepNetwork #304 +! Flux pairs: OH(3), OC1[CH]O1(1140); CHCHO(51), OC1[CH]O1(1140); +OH(3)+CHCHO(51)(+M)<=>OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.288e+00 1.375e+00 -7.885e-02 -2.853e-02 / + CHEB/ -3.336e-02 1.080e-01 5.536e-02 1.743e-02 / + CHEB/ 2.418e-02 8.655e-03 6.144e-03 3.384e-03 / + CHEB/ 9.055e-02 -6.826e-03 -3.427e-03 -9.877e-04 / + CHEB/ 5.970e-02 -6.338e-03 -3.460e-03 -1.269e-03 / + CHEB/ 1.848e-02 -3.101e-03 -1.735e-03 -6.760e-04 / + +! Reaction index: Chemkin #2223; RMG #8192 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), C2H3O2(1046); +OC1[CH]O1(1140)(+M)<=>C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.046e+00 7.228e-01 -9.657e-02 4.138e-03 / + CHEB/ 5.125e+00 7.343e-01 -2.016e-03 -1.537e-02 / + CHEB/ -4.573e-01 2.251e-01 2.516e-02 -6.000e-05 / + CHEB/ -1.490e-01 3.568e-02 4.060e-03 3.356e-03 / + CHEB/ -3.668e-02 4.609e-03 -5.508e-03 4.078e-04 / + CHEB/ -1.428e-02 9.346e-03 -3.142e-03 -1.055e-03 / + +! Reaction index: Chemkin #2224; RMG #8154 +! PDep reaction: PDepNetwork #99 +! Flux pairs: CH2OH(26), C2H2O(1085); CO(8), OH(3); +CO(8)+CH2OH(26)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.200e+01 -1.336e-02 -8.190e-03 -3.852e-03 / + CHEB/ 3.473e+01 9.690e-03 5.936e-03 2.785e-03 / + CHEB/ 3.522e-01 -1.461e-03 -8.910e-04 -4.129e-04 / + CHEB/ 8.650e-02 -1.127e-03 -6.934e-04 -3.278e-04 / + CHEB/ 1.927e-02 -6.282e-04 -3.841e-04 -1.802e-04 / + CHEB/ 4.798e-03 -1.744e-04 -1.059e-04 -4.902e-05 / + +! Reaction index: Chemkin #2225; RMG #8155 +! PDep reaction: PDepNetwork #116 +! Flux pairs: CH3O(27), C2H2O(1085); CO(8), OH(3); +CO(8)+CH3O(27)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.407e+01 -4.262e-02 -1.603e-02 -1.869e-03 / + CHEB/ 3.446e+01 3.059e-02 9.709e-03 1.659e-04 / + CHEB/ 1.226e+00 2.079e-02 8.256e-03 5.366e-04 / + CHEB/ 4.027e-01 -4.294e-03 -2.364e-05 1.257e-03 / + CHEB/ 1.247e-01 -7.876e-03 -3.156e-03 -2.144e-04 / + CHEB/ 1.968e-02 -1.644e-03 -1.312e-03 -6.521e-04 / + +! Reaction index: Chemkin #2226; RMG #8156 +! PDep reaction: PDepNetwork #143 +! Flux pairs: C2H3O2(1042), OH(3); C2H3O2(1042), C2H2O(1085); +C2H3O2(1042)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.609e+01 1.507e+00 -8.148e-03 -3.838e-03 / + CHEB/ 3.672e+01 9.813e-03 6.006e-03 2.812e-03 / + CHEB/ 3.137e-01 -1.394e-03 -8.495e-04 -3.940e-04 / + CHEB/ 9.472e-02 -1.091e-03 -6.712e-04 -3.175e-04 / + CHEB/ -7.269e-03 -6.052e-04 -3.715e-04 -1.752e-04 / + CHEB/ -3.592e-02 -1.608e-04 -9.853e-05 -4.630e-05 / + +! Reaction index: Chemkin #2227; RMG #8157 +! PDep reaction: PDepNetwork #179 +! Flux pairs: CH2CO(30), C2H2O(1085); OH(3), OH(3); +OH(3)+CH2CO(30)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.120e+01 -4.709e-02 -2.672e-02 -1.075e-02 / + CHEB/ 2.619e+01 5.668e-02 3.136e-02 1.189e-02 / + CHEB/ 3.857e-01 -1.330e-02 -6.607e-03 -1.842e-03 / + CHEB/ 1.407e-01 -3.170e-03 -2.223e-03 -1.244e-03 / + CHEB/ 5.369e-02 5.204e-04 2.547e-04 5.251e-05 / + CHEB/ 1.551e-02 2.591e-04 1.866e-04 1.104e-04 / + +! Reaction index: Chemkin #2228; RMG #8158 +! PDep reaction: PDepNetwork #185 +! Flux pairs: CH3CO2(73), OH(3); CH3CO2(73), C2H2O(1085); +CH3CO2(73)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.909e+01 1.430e+00 -5.251e-02 -2.203e-02 / + CHEB/ 3.798e+01 1.097e-01 6.247e-02 2.522e-02 / + CHEB/ -7.304e-02 -2.316e-02 -1.206e-02 -3.859e-03 / + CHEB/ 3.179e-02 -5.862e-03 -3.960e-03 -2.133e-03 / + CHEB/ 6.808e-02 2.408e-04 6.821e-05 -5.156e-05 / + CHEB/ 4.652e-02 5.791e-04 3.816e-04 2.009e-04 / + +! Reaction index: Chemkin #2229; RMG #8159 +! PDep reaction: PDepNetwork #246 +! Flux pairs: OCHCHO(52), C2H2O(1085); H(5), OH(3); +H(5)+OCHCHO(52)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.506e+01 -1.036e-02 -6.352e-03 -2.985e-03 / + CHEB/ 2.392e+01 8.077e-03 4.939e-03 2.309e-03 / + CHEB/ 6.163e-02 -1.136e-04 -6.342e-05 -2.316e-05 / + CHEB/ -2.149e-03 -8.984e-04 -5.523e-04 -2.609e-04 / + CHEB/ -8.196e-04 -5.794e-04 -3.558e-04 -1.680e-04 / + CHEB/ 2.087e-03 -2.200e-04 -1.350e-04 -6.368e-05 / + +! Reaction index: Chemkin #2230; RMG #8160 +! PDep reaction: PDepNetwork #251 +! Flux pairs: OCH2CHO(510), OH(3); OCH2CHO(510), C2H2O(1085); +OCH2CHO(510)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.981e+01 1.473e+00 -1.809e-02 -2.114e-03 / + CHEB/ 3.112e+01 2.833e-02 8.319e-03 -2.977e-04 / + CHEB/ 6.579e-01 2.476e-02 9.383e-03 3.046e-04 / + CHEB/ 2.822e-01 -1.084e-03 1.511e-03 1.568e-03 / + CHEB/ 9.971e-02 -7.376e-03 -2.565e-03 1.675e-04 / + CHEB/ 4.726e-03 -2.412e-03 -1.528e-03 -5.627e-04 / + +! Reaction index: Chemkin #2231; RMG #8161 +! PDep reaction: PDepNetwork #256 +! Flux pairs: C2H3O2(1088), OH(3); C2H3O2(1088), C2H2O(1085); +C2H3O2(1088)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.287e+01 1.462e+00 -3.380e-02 -1.380e-02 / + CHEB/ 4.106e+01 6.960e-02 3.881e-02 1.499e-02 / + CHEB/ -2.757e-01 -1.641e-02 -8.341e-03 -2.507e-03 / + CHEB/ -7.785e-02 -3.482e-03 -2.434e-03 -1.359e-03 / + CHEB/ 3.961e-03 5.403e-04 2.672e-04 5.871e-05 / + CHEB/ 1.789e-02 3.461e-04 2.400e-04 1.354e-04 / + +! Reaction index: Chemkin #2232; RMG #8162 +! PDep reaction: PDepNetwork #264 +! Flux pairs: CH2OCHO(97), OH(3); CH2OCHO(97), C2H2O(1085); +CH2OCHO(97)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.541e+01 1.187e+00 -1.488e-01 -3.337e-02 / + CHEB/ 3.624e+01 2.346e-01 8.592e-02 5.043e-03 / + CHEB/ -6.844e-02 3.461e-02 2.193e-02 8.565e-03 / + CHEB/ 1.196e-02 -1.404e-02 -2.876e-03 2.236e-03 / + CHEB/ 5.431e-02 -1.389e-02 -6.090e-03 -8.804e-04 / + CHEB/ 2.642e-02 -3.674e-03 -2.357e-03 -9.821e-04 / + +! Reaction index: Chemkin #2233; RMG #8163 +! PDep reaction: PDepNetwork #283 +! Flux pairs: O[C]1CO1(1093), OH(3); O[C]1CO1(1093), C2H2O(1085); +O[C]1CO1(1093)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.578e+01 1.486e+00 -1.902e-02 -7.269e-03 / + CHEB/ 2.843e+01 4.411e-02 2.383e-02 8.502e-03 / + CHEB/ 4.100e-01 -1.752e-02 -9.125e-03 -2.962e-03 / + CHEB/ 8.231e-02 -1.647e-04 -4.880e-04 -5.241e-04 / + CHEB/ -2.490e-02 1.373e-03 7.968e-04 3.228e-04 / + CHEB/ -4.173e-02 1.128e-04 1.137e-04 9.142e-05 / + +! Reaction index: Chemkin #2234; RMG #8164 +! PDep reaction: PDepNetwork #284 +! Flux pairs: [O]C1CO1(1094), OH(3); [O]C1CO1(1094), C2H2O(1085); +[O]C1CO1(1094)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.525e+01 1.353e+00 -6.214e-02 -4.401e-03 / + CHEB/ 2.812e+01 1.022e-01 2.165e-02 -1.233e-02 / + CHEB/ 8.746e-02 3.655e-02 1.992e-02 5.467e-03 / + CHEB/ -5.103e-03 8.784e-04 4.695e-03 4.451e-03 / + CHEB/ 1.004e-02 -5.679e-03 -1.425e-03 9.856e-04 / + CHEB/ -2.157e-02 -2.096e-03 -1.365e-03 -4.836e-04 / + +! Reaction index: Chemkin #2235; RMG #8165 +! PDep reaction: PDepNetwork #304 +! Flux pairs: CHCHO(51), C2H2O(1085); OH(3), OH(3); +OH(3)+CHCHO(51)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.605e+00 -1.006e-02 -6.172e-03 -2.903e-03 / + CHEB/ 1.031e+01 8.032e-03 4.911e-03 2.296e-03 / + CHEB/ 4.175e-01 -2.446e-04 -1.417e-04 -5.884e-05 / + CHEB/ 1.091e-01 -9.503e-04 -5.839e-04 -2.754e-04 / + CHEB/ 3.004e-02 -5.858e-04 -3.605e-04 -1.707e-04 / + CHEB/ 8.497e-03 -2.224e-04 -1.370e-04 -6.495e-05 / + +! Reaction index: Chemkin #2236; RMG #8166 +! PDep reaction: PDepNetwork #320 +! Flux pairs: C2H2O2(1070), C2H2O(1085); H(5), OH(3); +H(5)+C2H2O2(1070)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.343e+01 -3.313e-02 -1.837e-02 -7.003e-03 / + CHEB/ 2.171e+01 4.402e-02 2.386e-02 8.593e-03 / + CHEB/ 4.432e-01 -1.692e-02 -8.815e-03 -2.856e-03 / + CHEB/ 1.362e-01 2.539e-04 -2.318e-04 -4.089e-04 / + CHEB/ 5.562e-02 1.453e-03 8.594e-04 3.620e-04 / + CHEB/ 2.537e-02 8.643e-05 9.796e-05 8.536e-05 / + +! Reaction index: Chemkin #2237; RMG #8167 +! PDep reaction: PDepNetwork #327 +! Flux pairs: C2H2O2(1030), C2H2O(1085); H(5), OH(3); +H(5)+C2H2O2(1030)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.100e+01 -1.026e-02 -6.294e-03 -2.961e-03 / + CHEB/ 1.948e+01 8.081e-03 4.941e-03 2.309e-03 / + CHEB/ 1.397e-01 -1.907e-04 -1.087e-04 -4.337e-05 / + CHEB/ 2.302e-02 -9.327e-04 -5.730e-04 -2.702e-04 / + CHEB/ 4.635e-03 -5.882e-04 -3.620e-04 -1.713e-04 / + CHEB/ 4.305e-03 -2.198e-04 -1.353e-04 -6.417e-05 / + +! Reaction index: Chemkin #2238; RMG #8176 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), O(16); C2H3O2(1046), CH2CHO(45); +C2H3O2(1046)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.381e+01 1.499e+00 -1.269e-02 -5.623e-03 / + CHEB/ 3.396e+01 1.567e-02 9.382e-03 4.293e-03 / + CHEB/ -1.761e-01 3.059e-06 -9.186e-05 -7.235e-05 / + CHEB/ -2.793e-02 -9.562e-04 -5.974e-04 -3.050e-04 / + CHEB/ 3.185e-02 -7.643e-04 -4.343e-04 -1.951e-04 / + CHEB/ 3.496e-02 -3.399e-04 -1.866e-04 -7.467e-05 / + +! Reaction index: Chemkin #2239; RMG #8177 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), OCHO(11); C2H3O2(1046), CH2(S)(22); +C2H3O2(1046)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.548e+01 1.315e+00 -7.712e-02 -6.669e-03 / + CHEB/ 3.648e+01 8.080e-02 9.410e-03 -1.566e-02 / + CHEB/ -3.237e-01 2.543e-02 1.288e-02 2.290e-03 / + CHEB/ -1.112e-01 -3.910e-03 2.646e-03 3.820e-03 / + CHEB/ -9.881e-03 -8.426e-03 -1.862e-03 1.444e-03 / + CHEB/ 1.462e-02 -3.544e-03 -1.510e-03 -5.238e-05 / + +! Reaction index: Chemkin #2240; RMG #8178 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), O-2(1040); C2H3O2(1046), CH2CHO(45); +C2H3O2(1046)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.410e+01 1.460e+00 -3.119e-02 -9.862e-03 / + CHEB/ 4.835e+01 4.884e-02 2.285e-02 5.149e-03 / + CHEB/ -2.487e-01 9.364e-03 6.225e-03 3.141e-03 / + CHEB/ -4.204e-02 -3.688e-03 -1.474e-03 -3.554e-05 / + CHEB/ 3.858e-02 -3.151e-03 -1.780e-03 -6.790e-04 / + CHEB/ 3.899e-02 -4.749e-04 -3.954e-04 -2.657e-04 / + +! Reaction index: Chemkin #2241; RMG #8179 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), O(16); C2H3O2(1046), cC2H3O(61); +C2H3O2(1046)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.984e+01 1.439e+00 -3.976e-02 -1.087e-02 / + CHEB/ 4.560e+01 6.153e-02 2.616e-02 3.693e-03 / + CHEB/ -1.708e-01 1.520e-02 9.574e-03 4.342e-03 / + CHEB/ -1.984e-02 -3.390e-03 -7.651e-04 6.681e-04 / + CHEB/ 4.312e-02 -4.150e-03 -2.165e-03 -6.522e-04 / + CHEB/ 4.118e-02 -9.116e-04 -6.968e-04 -4.160e-04 / + +! Reaction index: Chemkin #2242; RMG #8181 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), OCHO(11); C2H3O2(1046), CH2(21); +C2H3O2(1046)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.142e+01 1.025e+00 -2.003e-01 -3.438e-02 / + CHEB/ 3.403e+01 2.730e-01 7.653e-02 -8.595e-03 / + CHEB/ -1.988e-01 3.194e-02 1.935e-02 5.124e-03 / + CHEB/ -9.333e-02 -2.396e-02 -4.388e-03 3.185e-03 / + CHEB/ -1.241e-02 -2.339e-02 -8.234e-03 2.314e-04 / + CHEB/ 1.274e-02 -8.968e-03 -4.197e-03 -7.521e-04 / + +! Reaction index: Chemkin #2243; RMG #8182 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), HOCO(10); C2H3O2(1046), CH2(21); +C2H3O2(1046)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.740e+01 1.262e+00 -1.328e-01 -4.352e-02 / + CHEB/ 2.913e+01 2.864e-01 1.376e-01 3.770e-02 / + CHEB/ -1.990e-01 -4.184e-02 -1.154e-02 3.502e-03 / + CHEB/ -3.615e-02 -1.900e-02 -1.283e-02 -5.990e-03 / + CHEB/ 2.966e-02 -2.475e-03 -2.144e-03 -1.631e-03 / + CHEB/ 3.585e-02 3.184e-04 3.333e-04 2.077e-04 / + +! Reaction index: Chemkin #2244; RMG #8183 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), O(16); C2H3O2(1046), C2H3O(1084); +C2H3O2(1046)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.452e+01 1.490e+00 -1.854e-02 -8.277e-03 / + CHEB/ 4.110e+01 3.296e-02 1.944e-02 8.457e-03 / + CHEB/ -2.372e-01 -5.591e-03 -3.121e-03 -1.197e-03 / + CHEB/ -2.275e-02 -2.492e-03 -1.557e-03 -7.543e-04 / + CHEB/ 4.660e-02 -1.691e-04 -1.251e-04 -7.909e-05 / + CHEB/ 4.580e-02 1.239e-04 7.903e-05 3.948e-05 / + +! Reaction index: Chemkin #2245; RMG #8184 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), O(16); C2H3O2(1046), CH3CO(47); +C2H3O2(1046)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.244e+01 1.219e+00 -1.603e-01 -5.593e-02 / + CHEB/ 3.157e+01 3.312e-01 1.676e-01 5.174e-02 / + CHEB/ -2.255e-01 -3.357e-02 -9.280e-03 3.491e-03 / + CHEB/ -2.984e-02 -1.810e-02 -1.145e-02 -5.137e-03 / + CHEB/ 3.541e-02 -4.431e-03 -3.001e-03 -1.685e-03 / + CHEB/ 3.869e-02 -7.193e-04 -4.416e-04 -2.236e-04 / + +! Reaction index: Chemkin #2246; RMG #8185 +! PDep reaction: PDepNetwork #339 +! Flux pairs: C2H3O2(1046), OH(3); C2H3O2(1046), C2H2O(1085); +C2H3O2(1046)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.560e+01 1.510e+00 -6.770e-03 -3.183e-03 / + CHEB/ 3.718e+01 7.515e-03 4.592e-03 2.143e-03 / + CHEB/ -1.657e-01 -3.632e-04 -2.145e-04 -9.319e-05 / + CHEB/ -4.531e-02 -1.101e-03 -6.755e-04 -3.178e-04 / + CHEB/ 1.923e-02 -7.582e-04 -4.656e-04 -2.194e-04 / + CHEB/ 2.776e-02 -3.526e-04 -2.164e-04 -1.019e-04 / + +! Reaction index: Chemkin #2247; RMG #8191 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), OH(3); OC1[CH]O1(1140), C2H2O(1085); +OC1[CH]O1(1140)(+M)<=>OH(3)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.509e+01 1.518e+00 -1.652e-03 -7.813e-04 / + CHEB/ 2.908e+01 1.074e-03 6.584e-04 3.092e-04 / + CHEB/ 3.143e-02 -2.066e-04 -1.266e-04 -5.945e-05 / + CHEB/ 8.667e-02 -5.690e-04 -3.500e-04 -1.656e-04 / + CHEB/ 5.729e-02 -3.234e-04 -1.990e-04 -9.420e-05 / + CHEB/ 7.236e-03 -1.143e-04 -7.023e-05 -3.314e-05 / + +! Reaction index: Chemkin #2248; RMG #8217 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), HOCO(10); OC1[CH]O1(1140), CH2(21); +OC1[CH]O1(1140)(+M)<=>HOCO(10)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.742e+01 1.343e+00 -8.761e-02 -2.594e-02 / + CHEB/ 2.116e+01 2.123e-01 9.756e-02 2.321e-02 / + CHEB/ 5.441e-02 -4.181e-02 -1.232e-02 2.565e-03 / + CHEB/ 1.061e-01 -1.352e-02 -9.837e-03 -4.903e-03 / + CHEB/ 6.423e-02 1.051e-03 -8.096e-05 -7.572e-04 / + CHEB/ 1.186e-02 1.523e-03 1.081e-03 5.673e-04 / + +! Reaction index: Chemkin #2249; RMG #8219 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), O(16); OC1[CH]O1(1140), C2H3O(1084); +OC1[CH]O1(1140)(+M)<=>O(16)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.371e+01 1.493e+00 -1.660e-02 -7.370e-03 / + CHEB/ 3.298e+01 3.099e-02 1.824e-02 7.899e-03 / + CHEB/ -4.966e-02 -5.475e-03 -3.050e-03 -1.164e-03 / + CHEB/ 1.047e-01 -2.232e-03 -1.398e-03 -6.792e-04 / + CHEB/ 8.190e-02 2.766e-05 -4.712e-06 -2.251e-05 / + CHEB/ 2.334e-02 2.167e-04 1.359e-04 6.615e-05 / + +! Reaction index: Chemkin #2250; RMG #8220 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), O(16); OC1[CH]O1(1140), CH3CO(47); +OC1[CH]O1(1140)(+M)<=>O(16)+CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.223e+01 1.257e+00 -1.384e-01 -4.672e-02 / + CHEB/ 2.358e+01 3.007e-01 1.503e-01 4.472e-02 / + CHEB/ 2.188e-02 -3.470e-02 -9.964e-03 3.199e-03 / + CHEB/ 1.141e-01 -1.652e-02 -1.058e-02 -4.804e-03 / + CHEB/ 7.294e-02 -2.798e-03 -2.077e-03 -1.316e-03 / + CHEB/ 1.644e-02 9.503e-05 3.656e-05 -1.832e-05 / + +! Reaction index: Chemkin #2251; RMG #8221 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), OCHO(11); OC1[CH]O1(1140), CH2(S)(22); +OC1[CH]O1(1140)(+M)<=>OCHO(11)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.576e+01 1.336e+00 -6.700e-02 -3.746e-03 / + CHEB/ 2.858e+01 9.260e-02 1.411e-02 -1.557e-02 / + CHEB/ -1.094e-01 3.533e-02 1.793e-02 3.762e-03 / + CHEB/ 5.871e-02 1.236e-03 5.061e-03 4.475e-03 / + CHEB/ 6.029e-02 -5.650e-03 -8.453e-04 1.524e-03 / + CHEB/ 5.968e-03 -2.108e-03 -1.109e-03 -1.623e-04 / + +! Reaction index: Chemkin #2252; RMG #8222 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), O-2(1040); OC1[CH]O1(1140), CH2CHO(45); +OC1[CH]O1(1140)(+M)<=>O-2(1040)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.316e+01 1.462e+00 -3.019e-02 -9.472e-03 / + CHEB/ 4.024e+01 4.951e-02 2.327e-02 5.352e-03 / + CHEB/ -8.316e-02 9.340e-03 6.258e-03 3.197e-03 / + CHEB/ 9.540e-02 -3.962e-03 -1.637e-03 -1.049e-04 / + CHEB/ 8.436e-02 -3.264e-03 -1.864e-03 -7.300e-04 / + CHEB/ 1.741e-02 -5.015e-04 -4.193e-04 -2.839e-04 / + +! Reaction index: Chemkin #2253; RMG #8223 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), O(16); OC1[CH]O1(1140), cC2H3O(61); +OC1[CH]O1(1140)(+M)<=>O(16)+cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.908e+01 1.442e+00 -3.808e-02 -1.026e-02 / + CHEB/ 3.756e+01 6.289e-02 2.700e-02 4.062e-03 / + CHEB/ 1.933e-02 1.526e-02 9.715e-03 4.489e-03 / + CHEB/ 1.322e-01 -3.863e-03 -1.034e-03 5.665e-04 / + CHEB/ 9.769e-02 -4.428e-03 -2.362e-03 -7.634e-04 / + CHEB/ 2.372e-02 -1.034e-03 -7.881e-04 -4.731e-04 / + +! Reaction index: Chemkin #2254; RMG #8225 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), O(16); OC1[CH]O1(1140), CH2CHO(45); +OC1[CH]O1(1140)(+M)<=>O(16)+CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.581e+01 1.451e+00 -2.440e-02 -2.576e-03 / + CHEB/ 2.695e+01 4.138e-02 1.165e-02 6.522e-04 / + CHEB/ 5.300e-01 3.444e-02 1.095e-02 -1.323e-03 / + CHEB/ 3.199e-01 1.166e-03 3.611e-03 2.212e-03 / + CHEB/ 1.644e-01 -9.125e-03 -2.307e-03 9.520e-04 / + CHEB/ 5.062e-02 -3.905e-03 -2.208e-03 -5.431e-04 / + +! Reaction index: Chemkin #2255; RMG #8229 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), OCHO(11); OC1[CH]O1(1140), CH2(21); +OC1[CH]O1(1140)(+M)<=>OCHO(11)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.215e+01 1.075e+00 -1.769e-01 -2.759e-02 / + CHEB/ 2.631e+01 2.898e-01 8.289e-02 -9.165e-03 / + CHEB/ 6.582e-02 4.738e-02 2.765e-02 7.812e-03 / + CHEB/ 8.473e-02 -1.570e-02 -5.137e-04 4.338e-03 / + CHEB/ 5.516e-02 -1.804e-02 -6.338e-03 4.018e-04 / + CHEB/ -3.708e-04 -5.629e-03 -3.136e-03 -8.376e-04 / + +! Reaction index: Chemkin #2256; RMG #8231 +! PDep reaction: PDepNetwork #340 +! Flux pairs: OC1[CH]O1(1140), O(16); OC1[CH]O1(1140), CHCHOH(55); +OC1[CH]O1(1140)(+M)<=>O(16)+CHCHOH(55)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.401e+01 1.517e+00 -2.188e-03 -1.039e-03 / + CHEB/ 3.465e+01 2.123e-03 1.308e-03 6.204e-04 / + CHEB/ 9.952e-02 -1.899e-04 -1.165e-04 -5.475e-05 / + CHEB/ 8.607e-02 -4.915e-04 -3.029e-04 -1.438e-04 / + CHEB/ 3.959e-02 -3.182e-04 -1.962e-04 -9.320e-05 / + CHEB/ 8.264e-04 -1.347e-04 -8.300e-05 -3.940e-05 / + +! Reaction index: Chemkin #2257; RMG #8242 +! PDep reaction: PDepNetwork #139 +! Flux pairs: FA(1), HOCH2O(38); CH3(7), CH2(S)(22); +FA(1)+CH3(7)(+M)<=>CH2(S)(22)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.493e+01 -5.702e-02 -3.369e-02 -1.469e-02 / + CHEB/ 3.773e+01 1.628e-02 9.523e-03 4.062e-03 / + CHEB/ -3.863e-02 1.933e-02 1.112e-02 4.581e-03 / + CHEB/ -4.055e-02 1.160e-02 6.701e-03 2.780e-03 / + CHEB/ -2.763e-02 -1.340e-03 -6.292e-04 -1.292e-04 / + CHEB/ -1.518e-02 -4.529e-03 -2.485e-03 -9.113e-04 / + +! Reaction index: Chemkin #2258; RMG #8243 +! PDep reaction: PDepNetwork #139 +! Flux pairs: FA(1), C2H4O2(1024); CH3(7), H(5); +FA(1)+CH3(7)(+M)<=>H(5)+C2H4O2(1024)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.572e+00 -2.281e-01 -1.135e-01 -3.385e-02 / + CHEB/ 5.894e+00 1.440e-01 6.405e-02 1.285e-02 / + CHEB/ 3.075e-01 4.336e-02 2.303e-02 7.672e-03 / + CHEB/ 1.114e-01 1.767e-02 9.371e-03 3.272e-03 / + CHEB/ 2.847e-02 -8.704e-03 -2.710e-03 5.143e-04 / + CHEB/ 3.199e-03 -1.162e-02 -4.782e-03 -5.709e-04 / + +! Reaction index: Chemkin #2259; RMG #5849 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +O(16)+C2H3O3(1012)<=>OH(3)+C2H2O3(977) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2260; RMG #5859 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +H(5)+C2H3O3(1012)<=>H2(6)+C2H2O3(977) 5.958460e+09 0.568 0.000 + +! Reaction index: Chemkin #2261; RMG #5870 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+C2H3O3(1012)<=>H2O(17)+C2H2O3(977) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2262; RMG #5906 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2H3O3(1012)<=>FA(1)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2263; RMG #5910 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +HOCO(10)+C2H3O3(1012)<=>FA(1)+C2H2O3(977) 4.820000e+11 0.000 0.000 + +! Reaction index: Chemkin #2264; RMG #5920 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); O2(2), HO2(4); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2(2)+C2H3O3(1012)<=>HO2(4)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2265; RMG #5927 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +HCO(13)+C2H3O3(1012)<=>CH2O(12)+C2H2O3(977) 4.820000e+11 0.000 0.000 + +! Reaction index: Chemkin #2266; RMG #5939 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+C2H3O3(1012)<=>H2O2(18)+C2H2O3(977) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2267; RMG #5955 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CHO4(989), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(989)+C2H3O3(1012)<=>CH2O4(1005)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2268; RMG #5959 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CHO4(985), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +CHO4(985)+C2H3O3(1012)<=>CH2O4(1005)+C2H2O3(977) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2269; RMG #5967 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+C2H3O3(1012)<=>CH2O3(1000)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2270; RMG #5981 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); O2CHO(67), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +O2CHO(67)+C2H3O3(1012)<=>HO2CHO(68)+C2H2O3(977) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2271; RMG #5985 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CHO3(1009), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +CHO3(1009)+C2H3O3(1012)<=>HO2CHO(68)+C2H2O3(977) 4.820000e+11 0.000 0.000 + +! Reaction index: Chemkin #2272; RMG #5993 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +CH3O(27)+C2H3O3(1012)<=>CH3OH(25)+C2H2O3(977) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2273; RMG #5997 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +CH2OH(26)+C2H3O3(1012)<=>CH3OH(25)+C2H2O3(977) 4.820000e+11 0.000 0.000 + +! Reaction index: Chemkin #2274; RMG #6001 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); C2HO3(993), C2H2O3(977); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2HO3(993)+C2H3O3(1012)<=>C2H2O3(977)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2275; RMG #6005 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); C2HO3(991), C2H2O3(977); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +C2HO3(991)+C2H3O3(1012)<=>C2H2O3(977)+C2H2O3(977) 2.360580e+13 -0.372 0.000 + +! Reaction index: Chemkin #2276; RMG #6018 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +CH3(7)+C2H3O3(1012)<=>CH4(20)+C2H2O3(977) 5.958460e+09 0.568 0.000 + +! Reaction index: Chemkin #2277; RMG #6026 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); OCHCO(63), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +OCHCO(63)+C2H3O3(1012)<=>OCHCHO(52)+C2H2O3(977) 2.360580e+13 -0.372 0.000 + +! Reaction index: Chemkin #2278; RMG #6040 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); HCCO(53), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +HCCO(53)+C2H3O3(1012)<=>CH2CO(30)+C2H2O3(977) 6.311090e+12 -0.199 0.000 + +! Reaction index: Chemkin #2279; RMG #6050 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +HOCH2O(38)+C2H3O3(1012)<=>OCO(1022)+C2H2O3(977) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2280; RMG #6054 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +O[CH]O(970)+C2H3O3(1012)<=>OCO(1022)+C2H2O3(977) 4.820000e+11 0.000 0.000 + +! Reaction index: Chemkin #2281; RMG #8547 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), CO(8); C2H3O3(1012), O[CH]O(970); +C2H3O3(1012)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.044e+00 6.354e-01 -2.253e-01 -2.563e-02 / + CHEB/ 7.070e+00 7.539e-01 8.152e-02 -2.613e-02 / + CHEB/ 9.851e-02 4.180e-02 6.734e-02 6.294e-03 / + CHEB/ -1.196e-01 -2.752e-02 1.452e-02 1.721e-02 / + CHEB/ -1.117e-01 -1.143e-02 -3.859e-03 4.234e-03 / + CHEB/ -4.904e-02 9.297e-03 -1.559e-03 -2.267e-03 / + +! Reaction index: Chemkin #2282; RMG #6217 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); [O]C(O)O(972), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+C2H3O3(1012)<=>OC(O)O(1039)+C2H2O3(977) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2283; RMG #6218 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +O[C](O)O(1021)+C2H3O3(1012)<=>OC(O)O(1039)+C2H2O3(977) 4.820000e+11 0.000 0.000 + +! Reaction index: Chemkin #2284; RMG #8543 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), C2H3O3(1032); +C2H3O3(1012)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.923e+00 2.086e+00 -2.374e-01 -2.603e-02 / + CHEB/ 5.564e+00 7.296e-01 5.870e-02 -2.908e-02 / + CHEB/ -1.098e-01 7.078e-02 6.567e-02 2.936e-04 / + CHEB/ -9.441e-02 -9.485e-03 2.345e-02 1.621e-02 / + CHEB/ -5.122e-02 -8.949e-03 1.328e-03 6.537e-03 / + CHEB/ -2.702e-02 7.160e-03 -1.439e-03 -8.724e-04 / + +! Reaction index: Chemkin #2285; RMG #6848 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CH3CO2(73), C2H4O2(1024); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3CO2(73)+C2H3O3(1012)<=>C2H2O3(977)+C2H4O2(1024) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2286; RMG #6849 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); C2H3O2(1088), C2H4O2(1024); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +C2H3O2(1088)+C2H3O3(1012)<=>C2H2O3(977)+C2H4O2(1024) 6.311090e+12 -0.199 0.000 + +! Reaction index: Chemkin #2287; RMG #6875 +! PDep reaction: PDepNetwork #214 +! Flux pairs: H(5), C2H3O3(1012); C2H2O3(977), C2H3O3(1012); +H(5)+C2H2O3(977)(+M)<=>C2H3O3(1012)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.067e+00 1.310e+00 -1.072e-01 -3.365e-02 / + CHEB/ 2.860e+00 1.247e-01 5.484e-02 1.054e-02 / + CHEB/ 9.012e-02 -9.506e-03 7.086e-04 4.211e-03 / + CHEB/ -8.945e-02 3.239e-02 1.473e-02 3.419e-03 / + CHEB/ -9.520e-02 2.155e-02 1.133e-02 3.650e-03 / + CHEB/ -5.377e-02 9.351e-03 4.841e-03 1.587e-03 / + +! Reaction index: Chemkin #2288; RMG #7026 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CH2CHO(45), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +CH2CHO(45)+C2H3O3(1012)<=>C2H2O3(977)+CH3CHO(40) 6.311090e+12 -0.199 0.000 + +! Reaction index: Chemkin #2289; RMG #7027 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CH3CO(47), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +CH3CO(47)+C2H3O3(1012)<=>C2H2O3(977)+CH3CHO(40) 2.360580e+13 -0.372 0.000 + +! Reaction index: Chemkin #2290; RMG #8537 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), HCO(13); C2H3O3(1012), FA(1); +C2H3O3(1012)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.621e+00 9.040e-01 -1.381e-01 -1.484e-02 / + CHEB/ 1.656e+00 4.684e-01 3.038e-02 -1.922e-02 / + CHEB/ -2.334e-01 2.575e-02 3.308e-02 4.929e-03 / + CHEB/ -1.187e-01 2.289e-02 1.281e-02 3.449e-03 / + CHEB/ -8.213e-02 1.822e-02 1.094e-02 2.396e-03 / + CHEB/ -4.663e-02 8.148e-03 5.277e-03 1.951e-03 / + +! Reaction index: Chemkin #2291; RMG #7628 +! PDep reaction: PDepNetwork #310 +! Flux pairs: OH(3), C2H3O3(1012); C2H2O2(1030), C2H3O3(1012); +OH(3)+C2H2O2(1030)(+M)<=>C2H3O3(1012)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.369e+00 1.103e+00 -1.771e-01 -3.847e-02 / + CHEB/ 1.407e+00 4.057e-01 1.385e-01 7.662e-03 / + CHEB/ 3.773e-01 -3.986e-02 1.086e-02 1.734e-02 / + CHEB/ 6.834e-03 -8.511e-03 -6.689e-03 -1.911e-05 / + CHEB/ -5.838e-02 1.449e-03 -7.513e-05 -1.114e-03 / + CHEB/ -3.006e-02 8.284e-03 3.505e-03 3.535e-04 / +DUPLICATE + +! Reaction index: Chemkin #2292; RMG #8551 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), CO2(9); C2H3O3(1012), CH2OH(26); +C2H3O3(1012)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.487e+00 -3.253e-01 -2.686e-01 -7.531e-03 / + CHEB/ 1.237e+01 1.729e+00 1.680e-01 -1.876e-02 / + CHEB/ 8.801e-01 7.342e-03 -1.728e-02 -6.816e-03 / + CHEB/ -6.456e-02 -2.764e-02 3.652e-02 1.615e-02 / + CHEB/ -1.293e-01 2.625e-02 4.710e-02 8.387e-03 / + CHEB/ -2.654e-02 1.340e-02 2.522e-03 -6.363e-04 / + +! Reaction index: Chemkin #2293; RMG #8546 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), C2H3O3(1043); +C2H3O3(1012)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.262e+01 1.203e+00 -2.669e-01 -7.259e-03 / + CHEB/ 1.177e+01 1.733e+00 1.693e-01 -1.861e-02 / + CHEB/ 8.121e-01 7.597e-03 -1.619e-02 -6.537e-03 / + CHEB/ -6.553e-02 -2.626e-02 3.787e-02 1.644e-02 / + CHEB/ -1.208e-01 2.727e-02 4.724e-02 8.322e-03 / + CHEB/ -2.003e-02 1.362e-02 2.235e-03 -6.393e-04 / + +! Reaction index: Chemkin #2294; RMG #7821 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), C2H3O3(1012); C2H2O2(1070), C2H3O3(1012); +OH(3)+C2H2O2(1070)(+M)<=>C2H3O3(1012)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.311e+01 1.080e+00 -1.584e-01 -2.618e-02 / + CHEB/ 1.530e+01 5.397e-01 1.741e-01 1.790e-02 / + CHEB/ 1.733e+00 -7.644e-02 -5.051e-03 8.618e-03 / + CHEB/ 4.456e-01 -5.206e-02 -2.408e-02 -4.589e-03 / + CHEB/ -1.257e-04 -1.010e-02 -7.775e-03 -3.752e-03 / + CHEB/ -9.508e-02 1.027e-02 2.963e-03 -4.029e-04 / + +! Reaction index: Chemkin #2295; RMG #7832 +! PDep reaction: PDepNetwork #311 +! Flux pairs: OH(3), C2H3O3(1012); C2H2O2(1030), C2H3O3(1012); +OH(3)+C2H2O2(1030)(+M)<=>C2H3O3(1012)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.005e+00 -5.646e-01 -1.211e-01 5.083e-03 / + CHEB/ 5.735e+00 6.335e-01 9.677e-02 -2.215e-02 / + CHEB/ 1.777e+00 1.754e-02 5.180e-02 1.517e-02 / + CHEB/ 5.745e-01 -7.525e-02 -1.260e-02 7.766e-03 / + CHEB/ 2.146e-01 -2.676e-02 -1.761e-02 -3.643e-03 / + CHEB/ 8.735e-02 3.433e-03 -4.008e-03 -3.786e-03 / +DUPLICATE + +! Reaction index: Chemkin #2296; RMG #8541 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), C2H3O3(1066); +C2H3O3(1012)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.609e+00 4.437e-01 -2.978e-01 -8.499e-03 / + CHEB/ 9.196e+00 1.870e+00 1.151e-01 -2.412e-02 / + CHEB/ 4.540e-01 2.479e-01 1.494e-02 -5.498e-03 / + CHEB/ -1.518e-01 -4.716e-02 -3.763e-02 2.828e-03 / + CHEB/ -1.559e-01 -4.293e-02 6.399e-03 9.365e-03 / + CHEB/ -4.830e-02 9.428e-05 2.642e-02 7.025e-03 / + +! Reaction index: Chemkin #2297; RMG #8534 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), H2O(17); C2H3O3(1012), OCHCO(63); +C2H3O3(1012)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.477e+00 1.434e+00 -5.002e-02 -2.058e-02 / + CHEB/ 1.292e+01 2.713e-02 1.522e-02 5.924e-03 / + CHEB/ 1.695e-01 -8.521e-04 9.785e-06 4.368e-04 / + CHEB/ -9.667e-02 2.030e-02 1.103e-02 3.988e-03 / + CHEB/ -9.566e-02 1.406e-02 7.697e-03 2.834e-03 / + CHEB/ -4.931e-02 6.374e-03 3.433e-03 1.219e-03 / + +! Reaction index: Chemkin #2298; RMG #8289 +! PDep reaction: PDepNetwork #80 +! Flux pairs: H2O(17), C2H3O3(1032); OCHCO(63), C2H3O3(1032); +H2O(17)+OCHCO(63)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.045e+01 1.094e+00 -1.800e-01 -3.896e-02 / + CHEB/ 1.530e+01 4.073e-01 1.369e-01 6.277e-03 / + CHEB/ 3.755e-01 -4.072e-02 1.106e-02 1.739e-02 / + CHEB/ 1.883e-01 -7.497e-03 -6.199e-03 2.594e-04 / + CHEB/ 1.069e-01 2.198e-03 3.240e-04 -9.799e-04 / + CHEB/ 3.841e-02 8.603e-03 3.663e-03 3.936e-04 / + +! Reaction index: Chemkin #2299; RMG #8290 +! PDep reaction: PDepNetwork #80 +! Flux pairs: H2O(17), C2H3O3(1066); OCHCO(63), C2H3O3(1066); +H2O(17)+OCHCO(63)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.813e+00 3.220e-01 -1.853e-01 -9.051e-03 / + CHEB/ 1.399e+01 7.179e-01 3.586e-02 1.457e-03 / + CHEB/ 1.299e-02 1.840e-01 2.072e-02 -1.179e-02 / + CHEB/ -3.293e-02 2.953e-02 1.656e-02 -3.232e-03 / + CHEB/ 1.066e-02 -2.366e-02 7.361e-03 2.343e-03 / + CHEB/ 2.479e-02 -1.756e-02 1.020e-03 2.813e-03 / + +! Reaction index: Chemkin #2300; RMG #8416 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), H2O(17); C2H3O3(1043), OCHCO(63); +C2H3O3(1043)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.339e+01 1.360e+00 -8.012e-02 -2.438e-02 / + CHEB/ 1.701e+01 1.818e-01 8.601e-02 2.243e-02 / + CHEB/ 1.639e-01 -2.020e-02 -4.953e-03 2.319e-03 / + CHEB/ 4.858e-02 -1.037e-02 -6.378e-03 -2.615e-03 / + CHEB/ 3.212e-02 -4.839e-03 -2.632e-03 -1.034e-03 / + CHEB/ 2.615e-02 2.814e-03 1.248e-03 2.299e-04 / + +! Reaction index: Chemkin #2301; RMG #8345 +! PDep reaction: PDepNetwork #129 +! Flux pairs: HOCH2O(38), OCHCO(63); CO(8), H2O(17); +CO(8)+HOCH2O(38)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.016e+01 -3.621e-02 -2.182e-02 -9.918e-03 / + CHEB/ 2.372e+01 4.184e-02 2.506e-02 1.125e-02 / + CHEB/ 1.510e+00 -1.939e-02 -1.154e-02 -5.118e-03 / + CHEB/ -9.584e-02 3.227e-03 1.833e-03 7.285e-04 / + CHEB/ -2.718e-02 6.494e-03 4.013e-03 1.915e-03 / + CHEB/ 1.076e-01 9.315e-04 5.292e-04 2.112e-04 / + +! Reaction index: Chemkin #2302; RMG #8293 +! PDep reaction: PDepNetwork #80 +! Flux pairs: OCHCO(63), C2H3O2(1046); H2O(17), O(16); +H2O(17)+OCHCO(63)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.789e+01 -4.410e-03 -2.691e-03 -1.256e-03 / + CHEB/ 3.054e+01 -1.490e-03 -9.380e-04 -4.582e-04 / + CHEB/ 5.845e-01 -1.727e-04 -9.466e-05 -3.699e-05 / + CHEB/ 1.848e-01 1.335e-03 8.166e-04 3.832e-04 / + CHEB/ 5.309e-02 1.278e-03 7.815e-04 3.652e-04 / + CHEB/ 1.236e-02 7.057e-04 4.304e-04 2.001e-04 / + +! Reaction index: Chemkin #2303; RMG #8297 +! PDep reaction: PDepNetwork #80 +! Flux pairs: OCHCO(63), O[CH]O(970); H2O(17), CO(8); +H2O(17)+OCHCO(63)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.392e+00 -4.119e-01 -1.740e-01 -3.756e-02 / + CHEB/ 1.643e+01 4.101e-01 1.408e-01 8.659e-03 / + CHEB/ 4.599e-01 -4.379e-02 9.590e-03 1.734e-02 / + CHEB/ 1.290e-01 -9.451e-03 -7.664e-03 -5.364e-04 / + CHEB/ 3.840e-02 1.201e-03 -3.051e-04 -1.321e-03 / + CHEB/ 1.589e-02 7.856e-03 3.390e-03 3.761e-04 / + +! Reaction index: Chemkin #2304; RMG #10052 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), OCHCO(63); H(5), H2O(17); +H(5)+C2H2O3(1031)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.865e+00 -3.422e-01 -1.472e-01 -3.287e-02 / + CHEB/ 5.955e+00 3.853e-01 1.442e-01 1.691e-02 / + CHEB/ 7.728e-01 -6.020e-02 -2.287e-03 1.401e-02 / + CHEB/ 1.888e-01 -1.098e-02 -1.096e-02 -3.949e-03 / + CHEB/ 5.862e-02 8.283e-04 -1.195e-04 -1.423e-03 / + CHEB/ 2.524e-02 5.841e-03 3.164e-03 9.413e-04 / + +! Reaction index: Chemkin #2305; RMG #8435 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), OCHCO(63); OH(3), H2O(17); +OH(3)+C2H2O2(1030)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.612e+00 -5.454e-01 -1.276e-01 -1.545e-02 / + CHEB/ 4.194e+00 5.704e-01 9.679e-02 3.385e-04 / + CHEB/ 8.495e-01 -1.535e-02 1.761e-02 3.178e-03 / + CHEB/ 2.268e-01 -2.992e-02 -1.669e-03 2.409e-03 / + CHEB/ 7.074e-02 -1.588e-02 -2.317e-03 1.678e-03 / + CHEB/ 2.997e-02 1.232e-03 -9.818e-04 5.575e-04 / + +! Reaction index: Chemkin #2306; RMG #8300 +! PDep reaction: PDepNetwork #80 +! Flux pairs: OCHCO(63), C2H3O2(1042); H2O(17), O(16); +H2O(17)+OCHCO(63)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.204e+01 -8.187e-03 -5.013e-03 -2.350e-03 / + CHEB/ 3.193e+01 8.231e-03 5.023e-03 2.339e-03 / + CHEB/ 7.733e-01 -1.514e-03 -9.140e-04 -4.163e-04 / + CHEB/ 2.855e-01 -7.892e-05 -5.256e-05 -2.855e-05 / + CHEB/ 1.004e-01 -1.231e-04 -7.442e-05 -3.401e-05 / + CHEB/ 3.668e-02 -1.952e-05 -1.226e-05 -6.020e-06 / + +! Reaction index: Chemkin #2307; RMG #8301 +! PDep reaction: PDepNetwork #80 +! Flux pairs: OCHCO(63), CO2(9); H2O(17), CH2OH(26); +H2O(17)+OCHCO(63)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.972e+00 -1.661e-01 -8.041e-02 -2.444e-02 / + CHEB/ 1.471e+01 1.782e-01 8.436e-02 2.254e-02 / + CHEB/ 3.960e-01 -1.897e-02 -6.140e-03 2.072e-03 / + CHEB/ 1.331e-01 -8.511e-03 -6.393e-03 -2.998e-03 / + CHEB/ 5.216e-02 -3.784e-03 -2.111e-03 -1.171e-03 / + CHEB/ 2.436e-02 3.048e-03 1.716e-03 3.320e-04 / + +! Reaction index: Chemkin #2308; RMG #8312 +! PDep reaction: PDepNetwork #83 +! Flux pairs: CO(8), C2H3O3(1066); O[CH]O(970), C2H3O3(1066); +CO(8)+O[CH]O(970)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.868e+00 -1.584e+00 -1.821e-01 6.640e-03 / + CHEB/ 9.960e+00 1.597e+00 -2.266e-02 -3.410e-02 / + CHEB/ 1.915e-01 3.686e-01 7.241e-02 5.772e-05 / + CHEB/ -1.194e-01 1.488e-02 4.842e-03 1.139e-02 / + CHEB/ -8.621e-02 -9.111e-03 -1.313e-02 -2.468e-05 / + CHEB/ -5.984e-03 9.439e-03 -3.633e-03 -3.231e-03 / + +! Reaction index: Chemkin #2309; RMG #8420 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), CO(8); C2H3O3(1043), O[CH]O(970); +C2H3O3(1043)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.530e+01 -1.048e+00 -2.837e-01 -1.770e-03 / + CHEB/ 1.669e+01 2.384e+00 2.080e-01 -2.174e-02 / + CHEB/ 1.056e+00 3.037e-01 9.579e-02 2.290e-02 / + CHEB/ 4.422e-01 3.267e-02 -9.279e-03 2.101e-03 / + CHEB/ 2.772e-01 -3.018e-02 -8.331e-03 -6.564e-03 / + CHEB/ 2.221e-01 -4.948e-02 -3.978e-03 -3.113e-03 / + +! Reaction index: Chemkin #2310; RMG #8350 +! PDep reaction: PDepNetwork #129 +! Flux pairs: HOCH2O(38), O[CH]O(970); CO(8), CO(8); +CO(8)+HOCH2O(38)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.947e+01 -1.344e-01 -7.196e-02 -2.555e-02 / + CHEB/ 2.493e+01 1.402e-01 7.024e-02 2.076e-02 / + CHEB/ 2.797e-01 -2.755e-02 -1.049e-02 -2.584e-04 / + CHEB/ 7.564e-02 -6.701e-03 -4.833e-03 -2.553e-03 / + CHEB/ 2.467e-02 2.438e-03 1.153e-03 2.015e-04 / + CHEB/ 7.542e-03 2.332e-03 1.438e-03 6.614e-04 / +DUPLICATE + +! Reaction index: Chemkin #2311; RMG #8316 +! PDep reaction: PDepNetwork #83 +! Flux pairs: O[CH]O(970), C2H3O2(1046); CO(8), O(16); +CO(8)+O[CH]O(970)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.707e+01 -1.038e-01 -5.689e-02 -2.122e-02 / + CHEB/ 3.024e+01 1.170e-01 6.105e-02 2.007e-02 / + CHEB/ 3.867e-01 -3.096e-02 -1.375e-02 -2.436e-03 / + CHEB/ 1.316e-01 -2.758e-04 -1.656e-03 -1.780e-03 / + CHEB/ 3.646e-02 -1.006e-03 -3.048e-04 2.369e-05 / + CHEB/ 9.282e-03 1.624e-03 9.337e-04 3.994e-04 / + +! Reaction index: Chemkin #2312; RMG #8318 +! PDep reaction: PDepNetwork #83 +! Flux pairs: O[CH]O(970), FA(1); CO(8), HCO(13); +CO(8)+O[CH]O(970)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.340e+00 -8.608e-01 -2.248e-01 -2.570e-02 / + CHEB/ 9.777e+00 7.345e-01 8.543e-02 -2.666e-02 / + CHEB/ 1.724e-01 4.162e-02 6.493e-02 7.889e-03 / + CHEB/ 2.055e-02 -3.861e-02 1.197e-02 1.654e-02 / + CHEB/ 5.550e-03 -6.350e-03 -4.878e-03 3.582e-03 / + CHEB/ 5.975e-03 9.742e-03 -1.205e-03 -2.529e-03 / +DUPLICATE + +! Reaction index: Chemkin #2313; RMG #8380 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), O[CH]O(970); OH(3), CO(8); +OH(3)+OCHCHO(52)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.566e-01 -3.184e-01 -1.451e-01 -3.660e-02 / + CHEB/ 8.616e+00 3.225e-01 1.255e-01 1.585e-02 / + CHEB/ 3.562e-01 -4.289e-02 -6.385e-05 1.232e-02 / + CHEB/ 1.024e-01 -6.598e-03 -6.841e-03 -2.427e-03 / + CHEB/ 3.129e-02 1.077e-03 2.560e-04 -6.832e-04 / + CHEB/ 1.260e-02 6.319e-03 3.067e-03 7.400e-04 / + +! Reaction index: Chemkin #2314; RMG #8320 +! PDep reaction: PDepNetwork #83 +! Flux pairs: O[CH]O(970), C2H3O2(1042); CO(8), O(16); +CO(8)+O[CH]O(970)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.562e+01 -1.206e-01 -6.816e-02 -2.722e-02 / + CHEB/ 3.380e+01 1.445e-01 7.935e-02 2.967e-02 / + CHEB/ 1.437e+00 -3.175e-02 -1.489e-02 -3.383e-03 / + CHEB/ 5.540e-01 -1.027e-03 -1.983e-03 -1.892e-03 / + CHEB/ 1.564e-01 -3.317e-03 -1.720e-03 -6.172e-04 / + CHEB/ 2.614e-02 1.094e-03 6.111e-04 2.475e-04 / + +! Reaction index: Chemkin #2315; RMG #8321 +! PDep reaction: PDepNetwork #83 +! Flux pairs: O[CH]O(970), CO2(9); CO(8), CH2OH(26); +CO(8)+O[CH]O(970)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.845e+00 -2.180e+00 -2.694e-01 -2.915e-03 / + CHEB/ 1.348e+01 1.673e+00 1.185e-01 -3.098e-02 / + CHEB/ 6.626e-01 2.548e-01 5.957e-02 1.817e-02 / + CHEB/ 4.938e-02 3.100e-02 -3.885e-03 3.534e-03 / + CHEB/ -4.755e-02 -1.259e-02 5.558e-03 -3.601e-03 / + CHEB/ 6.970e-03 -4.857e-03 9.681e-03 1.167e-04 / + +! Reaction index: Chemkin #2316; RMG #8404 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), CO2(9); C2H3O3(1032), CH2OH(26); +C2H3O3(1032)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.415e+01 -8.599e-01 -2.737e-01 1.542e-03 / + CHEB/ 1.628e+01 1.613e+00 9.839e-02 -3.622e-02 / + CHEB/ 4.179e-01 2.701e-01 5.962e-02 1.660e-02 / + CHEB/ 2.118e-02 3.571e-02 -9.970e-03 5.862e-03 / + CHEB/ -3.232e-02 -6.555e-03 -1.641e-03 -3.866e-03 / + CHEB/ -5.699e-03 4.211e-04 6.350e-03 -1.660e-03 / + +! Reaction index: Chemkin #2317; RMG #8354 +! PDep reaction: PDepNetwork #129 +! Flux pairs: HOCH2O(38), CO2(9); CO(8), CH2OH(26); +CO(8)+HOCH2O(38)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.520e+01 -2.900e-01 -1.219e-01 -2.568e-02 / + CHEB/ 2.525e+01 3.910e-01 1.548e-01 2.572e-02 / + CHEB/ 2.174e+00 -1.039e-01 -3.234e-02 4.299e-04 / + CHEB/ 3.061e-01 -2.636e-02 -1.292e-02 -2.427e-03 / + CHEB/ 1.093e-01 3.359e-02 1.380e-02 1.846e-03 / + CHEB/ 1.520e-01 1.197e-03 -6.987e-04 -1.159e-03 / + +! Reaction index: Chemkin #2318; RMG #8334 +! PDep reaction: PDepNetwork #101 +! Flux pairs: CO2(9), C2H3O2(1046); CH2OH(26), O(16); +CO2(9)+CH2OH(26)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.163e+01 -3.920e-02 -2.346e-02 -1.051e-02 / + CHEB/ 4.138e+01 4.336e-02 2.571e-02 1.130e-02 / + CHEB/ 1.689e+00 -5.753e-03 -3.179e-03 -1.188e-03 / + CHEB/ 4.754e-01 -9.473e-04 -6.400e-04 -3.485e-04 / + CHEB/ 5.200e-02 -1.407e-03 -8.295e-04 -3.615e-04 / + CHEB/ -4.291e-02 6.218e-04 3.607e-04 1.510e-04 / + +! Reaction index: Chemkin #2319; RMG #8384 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), CO2(9); OH(3), CH2OH(26); +OH(3)+OCHCHO(52)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.819e+00 -5.763e-01 -1.789e-01 -1.449e-02 / + CHEB/ 1.119e+01 5.580e-01 1.342e-01 -9.262e-03 / + CHEB/ 1.216e+00 5.770e-02 5.223e-02 1.710e-02 / + CHEB/ 4.749e-01 -1.078e-02 5.308e-03 9.002e-03 / + CHEB/ 2.378e-01 -2.353e-02 -6.736e-03 8.787e-04 / + CHEB/ 1.437e-01 -7.667e-03 -5.874e-03 -2.284e-03 / + +! Reaction index: Chemkin #2320; RMG #10058 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), CO2(9); H(5), CH2OH(26); +H(5)+C2H2O3(1031)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.104e+00 -7.847e-01 -1.559e-01 3.015e-03 / + CHEB/ 4.755e+00 6.474e-01 6.137e-02 -2.399e-02 / + CHEB/ 2.836e-01 1.326e-01 6.146e-02 -5.576e-04 / + CHEB/ 3.890e-02 -3.622e-03 1.569e-02 9.305e-03 / + CHEB/ -1.559e-02 -3.799e-02 -2.916e-03 4.240e-03 / + CHEB/ 1.287e-02 -1.508e-02 -6.383e-03 3.209e-04 / + +! Reaction index: Chemkin #2321; RMG #8533 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), CO(8); C2H3O3(1012), HOCH2O(38); +C2H3O3(1012)(+M)<=>CO(8)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.766e+01 1.476e+00 -2.691e-02 -1.222e-02 / + CHEB/ 2.125e+01 4.531e-02 2.710e-02 1.214e-02 / + CHEB/ 1.306e+00 -1.503e-02 -8.844e-03 -3.824e-03 / + CHEB/ -1.359e-01 -8.957e-05 -2.281e-04 -2.662e-04 / + CHEB/ -2.803e-01 3.425e-03 2.157e-03 1.063e-03 / + CHEB/ -4.399e-02 5.614e-03 3.380e-03 1.535e-03 / + +! Reaction index: Chemkin #2322; RMG #8342 +! PDep reaction: PDepNetwork #129 +! Flux pairs: CO(8), C2H3O3(1032); HOCH2O(38), C2H3O3(1032); +CO(8)+HOCH2O(38)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.957e+01 1.277e+00 -1.188e-01 -3.488e-02 / + CHEB/ 2.162e+01 2.968e-01 1.346e-01 3.174e-02 / + CHEB/ 1.407e+00 -7.608e-02 -2.634e-02 -3.300e-04 / + CHEB/ 6.445e-02 -1.913e-02 -1.430e-02 -6.900e-03 / + CHEB/ -7.357e-02 8.885e-03 4.746e-03 1.242e-03 / + CHEB/ 6.799e-02 1.264e-02 6.976e-03 2.609e-03 / + +! Reaction index: Chemkin #2323; RMG #8343 +! PDep reaction: PDepNetwork #129 +! Flux pairs: CO(8), C2H3O3(1066); HOCH2O(38), C2H3O3(1066); +CO(8)+HOCH2O(38)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.365e+01 1.190e+00 -1.347e-01 -2.535e-02 / + CHEB/ 2.334e+01 4.148e-01 1.580e-01 2.206e-02 / + CHEB/ 1.862e+00 -6.303e-02 -1.481e-02 3.430e-03 / + CHEB/ 2.908e-01 -5.201e-02 -2.183e-02 -2.628e-03 / + CHEB/ 7.689e-02 1.492e-02 7.121e-03 1.753e-03 / + CHEB/ 1.554e-01 2.732e-02 9.549e-03 1.600e-04 / + +! Reaction index: Chemkin #2324; RMG #8344 +! PDep reaction: PDepNetwork #129 +! Flux pairs: CO(8), C2H3O3(1043); HOCH2O(38), C2H3O3(1043); +CO(8)+HOCH2O(38)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.827e+01 1.232e+00 -1.214e-01 -2.560e-02 / + CHEB/ 2.468e+01 3.902e-01 1.547e-01 2.577e-02 / + CHEB/ 2.109e+00 -1.050e-01 -3.279e-02 3.513e-04 / + CHEB/ 3.019e-01 -2.558e-02 -1.265e-02 -2.418e-03 / + CHEB/ 1.155e-01 3.383e-02 1.385e-02 1.811e-03 / + CHEB/ 1.528e-01 4.467e-04 -9.848e-04 -1.190e-03 / + +! Reaction index: Chemkin #2325; RMG #8346 +! PDep reaction: PDepNetwork #129 +! Flux pairs: HOCH2O(38), C2H3O2(1046); CO(8), O(16); +CO(8)+HOCH2O(38)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.881e+01 -3.580e-03 -2.183e-03 -1.018e-03 / + CHEB/ 3.010e+01 -6.927e-04 -4.515e-04 -2.318e-04 / + CHEB/ 9.607e-01 -1.160e-04 -6.023e-05 -2.112e-05 / + CHEB/ 2.551e-01 9.765e-04 5.983e-04 2.819e-04 / + CHEB/ 5.162e-02 8.918e-04 5.472e-04 2.572e-04 / + CHEB/ 3.703e-03 4.888e-04 2.991e-04 1.400e-04 / + +! Reaction index: Chemkin #2326; RMG #8365 +! PDep reaction: PDepNetwork #213 +! Flux pairs: C2H2O3(977), HOCH2O(38); H(5), CO(8); +H(5)+C2H2O3(977)(+M)<=>CO(8)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.142e+01 -4.045e-02 -2.436e-02 -1.106e-02 / + CHEB/ 1.922e+01 4.487e-02 2.685e-02 1.204e-02 / + CHEB/ 1.128e+00 -1.724e-02 -1.021e-02 -4.479e-03 / + CHEB/ -1.582e-01 1.166e-03 5.591e-04 1.200e-04 / + CHEB/ -1.485e-01 5.309e-03 3.309e-03 1.603e-03 / + CHEB/ 7.340e-02 3.512e-03 2.094e-03 9.312e-04 / + +! Reaction index: Chemkin #2327; RMG #8375 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), HOCH2O(38); OH(3), CO(8); +OH(3)+OCHCHO(52)(+M)<=>CO(8)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.250e+01 -3.208e-02 -1.934e-02 -8.798e-03 / + CHEB/ 1.631e+01 3.802e-02 2.279e-02 1.025e-02 / + CHEB/ 1.380e+00 -2.022e-02 -1.208e-02 -5.400e-03 / + CHEB/ -1.279e-01 5.759e-03 3.403e-03 1.483e-03 / + CHEB/ 5.263e-02 5.756e-03 3.544e-03 1.681e-03 / + CHEB/ 9.492e-02 -1.095e-03 -7.004e-04 -3.564e-04 / + +! Reaction index: Chemkin #2328; RMG #10051 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), HOCH2O(38); H(5), CO(8); +H(5)+C2H2O3(1031)(+M)<=>CO(8)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.550e+00 -2.121e-01 -1.034e-01 -3.028e-02 / + CHEB/ 1.330e+01 2.787e-01 1.278e-01 3.102e-02 / + CHEB/ 1.216e+00 -9.549e-02 -3.678e-02 -3.724e-03 / + CHEB/ -1.730e-01 1.586e-03 -3.904e-03 -3.847e-03 / + CHEB/ 3.646e-02 1.644e-02 8.621e-03 2.420e-03 / + CHEB/ 9.774e-02 -5.856e-03 -2.414e-03 -2.885e-04 / + +! Reaction index: Chemkin #2329; RMG #8434 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), HOCH2O(38); OH(3), CO(8); +OH(3)+C2H2O2(1030)(+M)<=>CO(8)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.057e+00 -2.151e-01 -1.051e-01 -3.099e-02 / + CHEB/ 1.151e+01 2.793e-01 1.281e-01 3.110e-02 / + CHEB/ 1.447e+00 -9.415e-02 -3.614e-02 -3.557e-03 / + CHEB/ -8.948e-02 -2.991e-04 -4.841e-03 -4.128e-03 / + CHEB/ 4.277e-02 1.672e-02 8.773e-03 2.483e-03 / + CHEB/ 1.081e-01 -4.582e-03 -1.782e-03 -1.035e-04 / + +! Reaction index: Chemkin #2330; RMG #8353 +! PDep reaction: PDepNetwork #129 +! Flux pairs: HOCH2O(38), C2H3O2(1042); CO(8), O(16); +CO(8)+HOCH2O(38)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.677e+01 -2.912e-02 -1.761e-02 -8.053e-03 / + CHEB/ 3.382e+01 3.222e-02 1.934e-02 8.722e-03 / + CHEB/ 1.997e+00 -5.265e-03 -3.037e-03 -1.256e-03 / + CHEB/ 5.987e-01 -1.757e-04 -1.507e-04 -1.076e-04 / + CHEB/ 1.074e-01 -6.310e-04 -3.724e-04 -1.625e-04 / + CHEB/ -8.254e-03 4.517e-04 2.694e-04 1.198e-04 / + +! Reaction index: Chemkin #2331; RMG #8366 +! PDep reaction: PDepNetwork #213 +! Flux pairs: C2H2O3(977), C2H3O2(1046); H(5), O(16); +H(5)+C2H2O3(977)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.713e+01 -4.569e-03 -2.788e-03 -1.301e-03 / + CHEB/ 2.479e+01 -1.653e-03 -1.038e-03 -5.047e-04 / + CHEB/ 1.060e-01 -1.655e-04 -9.002e-05 -3.464e-05 / + CHEB/ 3.400e-02 1.449e-03 8.859e-04 4.153e-04 / + CHEB/ 1.124e-02 1.405e-03 8.589e-04 4.009e-04 / + CHEB/ 6.482e-03 7.895e-04 4.812e-04 2.235e-04 / + +! Reaction index: Chemkin #2332; RMG #8378 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), C2H2O3(977); OH(3), H(5); +OH(3)+OCHCHO(52)(+M)<=>H(5)+C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.912e-01 -4.834e-02 -2.860e-02 -1.251e-02 / + CHEB/ 7.937e+00 1.771e-02 1.041e-02 4.489e-03 / + CHEB/ 3.265e-01 1.879e-03 1.241e-03 6.581e-04 / + CHEB/ 1.090e-01 1.188e-02 6.802e-03 2.772e-03 / + CHEB/ 3.554e-02 7.423e-03 4.252e-03 1.737e-03 / + CHEB/ 1.221e-02 2.936e-03 1.667e-03 6.689e-04 / + +! Reaction index: Chemkin #2333; RMG #8371 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), C2H3O3(1012); OCHCHO(52), C2H3O3(1012); +OH(3)+OCHCHO(52)(+M)<=>C2H3O3(1012)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.307e+00 1.464e+00 -3.311e-02 -1.434e-02 / + CHEB/ 7.711e+00 1.088e-02 6.500e-03 2.893e-03 / + CHEB/ 2.057e-01 1.109e-03 7.772e-04 4.472e-04 / + CHEB/ -6.455e-02 1.460e-02 8.250e-03 3.266e-03 / + CHEB/ -8.006e-02 1.053e-02 5.911e-03 2.309e-03 / + CHEB/ -4.303e-02 4.851e-03 2.694e-03 1.026e-03 / + +! Reaction index: Chemkin #2334; RMG #8372 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), C2H3O3(1032); OCHCHO(52), C2H3O3(1032); +OH(3)+OCHCHO(52)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.095e+00 1.194e+00 -1.492e-01 -3.780e-02 / + CHEB/ 7.574e+00 3.197e-01 1.229e-01 1.432e-02 / + CHEB/ 2.912e-01 -4.141e-02 7.070e-04 1.243e-02 / + CHEB/ 1.663e-01 -5.286e-03 -5.939e-03 -1.949e-03 / + CHEB/ 1.013e-01 1.900e-03 7.448e-04 -4.575e-04 / + CHEB/ 3.559e-02 6.927e-03 3.339e-03 7.957e-04 / + +! Reaction index: Chemkin #2335; RMG #8373 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), C2H3O3(1066); OCHCHO(52), C2H3O3(1066); +OH(3)+OCHCHO(52)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.466e+00 8.661e-01 -1.957e-01 -1.299e-02 / + CHEB/ 9.310e+00 5.345e-01 1.080e-01 -1.909e-02 / + CHEB/ 5.690e-01 9.588e-02 5.877e-02 1.315e-02 / + CHEB/ 1.938e-01 1.746e-02 1.900e-02 1.170e-02 / + CHEB/ 1.644e-01 -1.054e-02 3.505e-03 5.278e-03 / + CHEB/ 1.302e-01 -1.370e-03 -6.605e-04 6.744e-04 / + +! Reaction index: Chemkin #2336; RMG #8374 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), C2H3O3(1043); OCHCHO(52), C2H3O3(1043); +OH(3)+OCHCHO(52)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.192e+01 9.464e-01 -1.783e-01 -1.441e-02 / + CHEB/ 1.061e+01 5.587e-01 1.349e-01 -9.010e-03 / + CHEB/ 1.162e+00 5.674e-02 5.202e-02 1.719e-02 / + CHEB/ 4.803e-01 -1.175e-02 4.816e-03 8.875e-03 / + CHEB/ 2.466e-01 -2.408e-02 -7.117e-03 7.123e-04 / + CHEB/ 1.467e-01 -7.893e-03 -6.049e-03 -2.383e-03 / + +! Reaction index: Chemkin #2337; RMG #8377 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), C2H3O2(1046); OH(3), O(16); +OH(3)+OCHCHO(52)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.724e+01 -4.230e-03 -2.581e-03 -1.204e-03 / + CHEB/ 2.077e+01 -1.272e-03 -8.053e-04 -3.964e-04 / + CHEB/ 5.702e-01 -1.266e-04 -6.655e-05 -2.391e-05 / + CHEB/ 1.723e-01 1.268e-03 7.758e-04 3.644e-04 / + CHEB/ 4.549e-02 1.186e-03 7.257e-04 3.395e-04 / + CHEB/ 8.472e-03 6.455e-04 3.939e-04 1.834e-04 / + +! Reaction index: Chemkin #2338; RMG #10056 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), OCHCHO(52); H(5), OH(3); +H(5)+C2H2O3(1031)(+M)<=>OH(3)+OCHCHO(52)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.311e-01 -2.802e-01 -1.280e-01 -3.226e-02 / + CHEB/ 7.507e+00 3.174e-01 1.289e-01 2.034e-02 / + CHEB/ 7.131e-01 -5.435e-02 -6.952e-03 1.011e-02 / + CHEB/ 1.908e-01 -9.624e-03 -9.593e-03 -4.403e-03 / + CHEB/ 5.253e-02 2.701e-04 -2.184e-04 -9.799e-04 / + CHEB/ 1.642e-02 4.952e-03 2.637e-03 8.370e-04 / + +! Reaction index: Chemkin #2339; RMG #8438 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), OCHCHO(52); OH(3), OH(3); +OH(3)+C2H2O2(1030)(+M)<=>OH(3)+OCHCHO(52)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.084e-01 -2.807e-01 -1.290e-01 -3.298e-02 / + CHEB/ 5.817e+00 3.121e-01 1.267e-01 1.981e-02 / + CHEB/ 8.892e-01 -5.369e-02 -6.939e-03 9.982e-03 / + CHEB/ 2.477e-01 -8.543e-03 -8.985e-03 -4.213e-03 / + CHEB/ 6.791e-02 4.903e-04 -2.517e-05 -8.502e-04 / + CHEB/ 2.459e-02 5.007e-03 2.666e-03 8.550e-04 / + +! Reaction index: Chemkin #2340; RMG #8383 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), C2H3O2(1042); OH(3), O(16); +OH(3)+OCHCHO(52)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.564e+01 -3.194e-02 -1.928e-02 -8.787e-03 / + CHEB/ 2.453e+01 3.420e-02 2.049e-02 9.192e-03 / + CHEB/ 1.668e+00 -4.251e-03 -2.407e-03 -9.542e-04 / + CHEB/ 5.713e-01 -3.279e-04 -2.374e-04 -1.419e-04 / + CHEB/ 1.271e-01 -9.897e-04 -5.869e-04 -2.583e-04 / + CHEB/ 3.679e-03 4.446e-04 2.614e-04 1.127e-04 / + +! Reaction index: Chemkin #2341; RMG #8395 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), C2H3O3(1066); +C2H3O3(1032)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.588e+00 -3.225e-01 -1.623e-01 8.557e-03 / + CHEB/ 1.263e+01 1.403e+00 -4.303e-02 -3.072e-02 / + CHEB/ -3.969e-02 3.830e-01 6.618e-02 -6.136e-03 / + CHEB/ -1.319e-01 2.763e-02 1.547e-02 1.064e-02 / + CHEB/ -5.850e-02 -1.354e-02 -1.004e-02 2.304e-03 / + CHEB/ -2.534e-03 6.615e-03 -5.958e-03 -2.759e-03 / + +! Reaction index: Chemkin #2342; RMG #8414 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), C2H3O3(1032); +C2H3O3(1043)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.588e+01 2.077e-01 -2.796e-01 2.829e-03 / + CHEB/ 1.510e+01 2.419e+00 1.860e-01 -2.630e-02 / + CHEB/ 7.692e-01 3.926e-01 1.103e-01 2.233e-02 / + CHEB/ 3.626e-01 8.821e-02 -2.240e-03 4.910e-03 / + CHEB/ 2.650e-01 2.494e-02 -7.675e-03 -6.042e-03 / + CHEB/ 2.180e-01 -6.207e-03 -4.948e-03 -4.765e-03 / + +! Reaction index: Chemkin #2343; RMG #8399 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), O(16); C2H3O3(1032), C2H3O2(1046); +C2H3O3(1032)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.273e+01 1.416e+00 -5.732e-02 -2.140e-02 / + CHEB/ 3.360e+01 1.167e-01 6.080e-02 1.992e-02 / + CHEB/ 2.616e-01 -3.108e-02 -1.381e-02 -2.460e-03 / + CHEB/ 1.494e-01 -3.208e-04 -1.680e-03 -1.787e-03 / + CHEB/ 8.727e-02 -9.875e-04 -2.920e-04 3.063e-05 / + CHEB/ 2.362e-02 1.676e-03 9.643e-04 4.125e-04 / + +! Reaction index: Chemkin #2344; RMG #8403 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), O(16); C2H3O3(1032), C2H3O2(1042); +C2H3O3(1032)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.137e+01 1.399e+00 -6.878e-02 -2.747e-02 / + CHEB/ 3.710e+01 1.447e-01 7.941e-02 2.965e-02 / + CHEB/ 1.294e+00 -3.129e-02 -1.461e-02 -3.247e-03 / + CHEB/ 5.761e-01 -8.933e-04 -1.897e-03 -1.848e-03 / + CHEB/ 2.183e-01 -3.410e-03 -1.773e-03 -6.391e-04 / + CHEB/ 4.965e-02 1.020e-03 5.648e-04 2.251e-04 / + +! Reaction index: Chemkin #2345; RMG #8417 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), O(16); C2H3O3(1043), C2H3O2(1046); +C2H3O3(1043)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.637e+01 1.482e+00 -2.339e-02 -1.048e-02 / + CHEB/ 3.555e+01 4.335e-02 2.570e-02 1.130e-02 / + CHEB/ 1.441e+00 -5.804e-03 -3.209e-03 -1.202e-03 / + CHEB/ 3.776e-01 -9.589e-04 -6.474e-04 -3.523e-04 / + CHEB/ 1.357e-02 -1.392e-03 -8.207e-04 -3.578e-04 / + CHEB/ -5.765e-02 6.304e-04 3.661e-04 1.536e-04 / + +! Reaction index: Chemkin #2346; RMG #10042 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), C2H3O3(1043); C2H2O3(1031), C2H3O3(1043); +H(5)+C2H2O3(1031)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.849e-01 7.389e-01 -1.553e-01 3.086e-03 / + CHEB/ 4.159e+00 6.499e-01 6.263e-02 -2.378e-02 / + CHEB/ 2.157e-01 1.327e-01 6.201e-02 -2.668e-04 / + CHEB/ 3.715e-02 -4.055e-03 1.575e-02 9.461e-03 / + CHEB/ -9.064e-03 -3.806e-02 -2.985e-03 4.265e-03 / + CHEB/ 1.732e-02 -1.488e-02 -6.376e-03 3.016e-04 / + +! Reaction index: Chemkin #2347; RMG #8424 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), C2H3O3(1032); C2H2O2(1070), C2H3O3(1032); +OH(3)+C2H2O2(1070)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.264e+01 8.962e-01 -2.374e-01 -4.614e-02 / + CHEB/ 1.435e+01 7.395e-01 2.565e-01 3.655e-02 / + CHEB/ 1.639e+00 -7.852e-02 -3.861e-03 1.056e-02 / + CHEB/ 6.760e-01 -6.130e-02 -2.750e-02 -6.071e-03 / + CHEB/ 2.249e-01 -2.530e-02 -1.410e-02 -4.898e-03 / + CHEB/ 2.919e-03 6.479e-03 3.268e-04 -1.363e-03 / + +! Reaction index: Chemkin #2348; RMG #8425 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), HOCH2O(38); OH(3), CO(8); +OH(3)+C2H2O2(1070)(+M)<=>CO(8)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.715e+01 -1.759e-01 -8.599e-02 -2.653e-02 / + CHEB/ 1.944e+01 2.346e-01 1.091e-01 2.968e-02 / + CHEB/ 2.182e+00 -7.551e-02 -2.979e-02 -4.577e-03 / + CHEB/ 4.514e-01 -4.754e-03 -6.362e-03 -4.250e-03 / + CHEB/ -2.057e-02 1.468e-03 6.359e-04 -1.705e-04 / + CHEB/ -7.934e-02 2.024e-03 1.320e-03 6.203e-04 / + +! Reaction index: Chemkin #2349; RMG #8426 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), OCHCO(63); OH(3), H2O(17); +OH(3)+C2H2O2(1070)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.312e+00 -4.558e-01 -1.451e-01 -1.294e-02 / + CHEB/ 1.279e+01 4.193e-01 9.752e-02 -1.156e-02 / + CHEB/ 7.548e-01 -3.019e-02 1.138e-02 9.358e-03 / + CHEB/ 2.845e-01 -2.912e-02 -1.190e-02 -2.663e-04 / + CHEB/ 7.719e-02 2.075e-03 -1.174e-03 -1.465e-03 / + CHEB/ 1.378e-02 1.255e-02 4.876e-03 4.491e-04 / + +! Reaction index: Chemkin #2350; RMG #8427 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), C2H3O2(1046); OH(3), O(16); +OH(3)+C2H2O2(1070)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.908e+01 -5.806e-02 -3.441e-02 -1.513e-02 / + CHEB/ 2.143e+01 6.618e-02 3.873e-02 1.659e-02 / + CHEB/ 1.928e+00 -1.894e-02 -1.081e-02 -4.383e-03 / + CHEB/ 3.603e-01 -3.931e-03 -2.514e-03 -1.265e-03 / + CHEB/ -5.846e-02 -1.472e-03 -9.006e-04 -4.227e-04 / + CHEB/ -8.016e-02 5.407e-04 3.143e-04 1.321e-04 / + +! Reaction index: Chemkin #2351; RMG #8428 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), FA(1); OH(3), HCO(13); +OH(3)+C2H2O2(1070)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.163e+01 -4.428e-01 -1.614e-01 -2.792e-02 / + CHEB/ 1.508e+01 5.385e-01 1.757e-01 1.920e-02 / + CHEB/ 1.548e+00 -7.620e-02 -4.757e-03 8.833e-03 / + CHEB/ 5.430e-01 -4.915e-02 -2.356e-02 -4.776e-03 / + CHEB/ 8.931e-02 -1.063e-02 -7.742e-03 -3.666e-03 / + CHEB/ -3.825e-02 8.729e-03 2.361e-03 -5.265e-04 / + +! Reaction index: Chemkin #2352; RMG #8429 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), OCHCHO(52); OH(3), OH(3); +OH(3)+C2H2O2(1070)(+M)<=>OH(3)+OCHCHO(52)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.582e+01 -3.508e-01 -1.337e-01 -2.564e-02 / + CHEB/ 1.712e+01 4.642e-01 1.621e-01 2.254e-02 / + CHEB/ 2.107e+00 -1.144e-01 -2.416e-02 4.543e-03 / + CHEB/ 5.378e-01 -3.204e-02 -2.044e-02 -6.481e-03 / + CHEB/ 1.493e-02 4.818e-03 -7.158e-04 -2.285e-03 / + CHEB/ -8.495e-02 8.787e-03 4.231e-03 8.872e-04 / + +! Reaction index: Chemkin #2353; RMG #8430 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), O[CH]O(970); OH(3), CO(8); +OH(3)+C2H2O2(1070)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.089e+01 -6.059e-01 -2.319e-01 -4.576e-02 / + CHEB/ 1.533e+01 7.310e-01 2.562e-01 3.768e-02 / + CHEB/ 1.676e+00 -9.100e-02 -8.896e-03 9.777e-03 / + CHEB/ 5.785e-01 -6.231e-02 -2.901e-02 -6.885e-03 / + CHEB/ 1.189e-01 -2.176e-02 -1.291e-02 -4.861e-03 / + CHEB/ -4.600e-02 8.954e-03 1.724e-03 -9.300e-04 / + +! Reaction index: Chemkin #2354; RMG #8431 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), C2H2O3(1031); OH(3), H(5); +OH(3)+C2H2O2(1070)(+M)<=>H(5)+C2H2O3(1031)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.207e+01 -4.480e-01 -1.622e-01 -2.704e-02 / + CHEB/ 1.527e+01 5.339e-01 1.704e-01 1.586e-02 / + CHEB/ 1.632e+00 -6.828e-02 -9.335e-05 1.044e-02 / + CHEB/ 5.752e-01 -4.711e-02 -2.174e-02 -3.692e-03 / + CHEB/ 1.490e-01 -1.015e-02 -8.076e-03 -3.952e-03 / + CHEB/ 3.981e-02 7.583e-03 1.749e-03 -8.081e-04 / + +! Reaction index: Chemkin #2355; RMG #8436 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), C2H3O2(1046); OH(3), O(16); +OH(3)+C2H2O2(1030)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.850e+00 -1.015e-01 -5.560e-02 -2.073e-02 / + CHEB/ 1.611e+01 1.177e-01 6.162e-02 2.046e-02 / + CHEB/ 5.934e-01 -3.076e-02 -1.367e-02 -2.417e-03 / + CHEB/ 2.032e-01 -1.547e-04 -1.592e-03 -1.763e-03 / + CHEB/ 5.422e-02 -1.002e-03 -3.053e-04 2.129e-05 / + CHEB/ 1.329e-02 1.538e-03 8.861e-04 3.813e-04 / + +! Reaction index: Chemkin #2356; RMG #8444 +! PDep reaction: PDepNetwork #336 +! Flux pairs: C2H3O3(1066), O(16); C2H3O3(1066), C2H3O2(1046); +C2H3O3(1066)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.161e+01 1.482e+00 -2.286e-02 -1.010e-02 / + CHEB/ 4.015e+01 3.676e-02 2.153e-02 9.225e-03 / + CHEB/ 7.346e-01 -1.128e-03 -3.880e-04 7.933e-05 / + CHEB/ 3.183e-01 4.990e-04 2.585e-04 8.455e-05 / + CHEB/ 1.730e-01 -1.632e-03 -9.424e-04 -3.920e-04 / + CHEB/ 7.656e-02 2.372e-04 1.246e-04 4.013e-05 / + +! Reaction index: Chemkin #2357; RMG #10041 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), C2H3O3(1066); C2H2O3(1031), C2H3O3(1066); +H(5)+C2H2O3(1031)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.213e+00 5.986e-01 -1.672e-01 5.738e-03 / + CHEB/ 3.021e+00 5.662e-01 1.199e-02 -2.586e-02 / + CHEB/ -2.020e-01 1.401e-01 4.792e-02 -8.531e-03 / + CHEB/ -1.393e-01 2.881e-02 1.599e-02 4.391e-03 / + CHEB/ -2.590e-02 -3.100e-02 3.669e-03 3.754e-03 / + CHEB/ 1.259e-02 -1.788e-02 -3.821e-03 1.717e-03 / + +! Reaction index: Chemkin #2358; RMG #8455 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+OCH2CHO(510)<=>FA(1)+C2H4O2(1056) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #2359; RMG #8456 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2H3O2(1046)<=>FA(1)+C2H4O2(1056) 5.711220e+13 -0.375 0.000 + +! Reaction index: Chemkin #2360; RMG #8457 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2H3O2(1042)<=>FA(1)+C2H4O2(1056) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #2361; RMG #8458 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+OCH2CHO(510)<=>FA(1)+C2H4O2(1056) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2362; RMG #8459 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2H3O2(1046)<=>FA(1)+C2H4O2(1056) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2363; RMG #8460 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2H3O2(1042)<=>FA(1)+C2H4O2(1056) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2364; RMG #8461 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1056), C2H3O2(1046); OCHO(11), FA(1); +! Estimated using template [C/H2/OneDe;O_sec_rad] for rate rule [C/H2/OneDeO;O_rad/OneDeC] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OCHO(11)+C2H4O2(1056)<=>FA(1)+C2H3O2(1046) 1.725296e+02 3.049 8.853 + +! Reaction index: Chemkin #2365; RMG #8462 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1056), C2H3O2(1046); HOCO(10), FA(1); +! Estimated using template [C_sec;CO_rad/NonDe] for rate rule [C/H2/OneDeO;CO_rad/NonDe] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HOCO(10)+C2H4O2(1056)<=>FA(1)+C2H3O2(1046) 5.300000e+06 2.000 43.853 + +! Reaction index: Chemkin #2366; RMG #8468 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CHOH(48); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+CH2CHO(45)<=>CH2O(12)+CH2CHOH(48) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2367; RMG #8469 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CHOH(48); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +CH2OH(26)+C2H3O(1084)<=>CH2O(12)+CH2CHOH(48) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #2368; RMG #8470 +! Template reaction: Disproportionation +! Flux pairs: CHCHOH(55), CH2CHOH(48); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +CH2OH(26)+CHCHOH(55)<=>CH2O(12)+CH2CHOH(48) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #2369; RMG #8471 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CHOH(48); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+CH2CHO(45)<=>CH2O(12)+CH2CHOH(48) 1.080000e+07 2.000 0.000 + +! Reaction index: Chemkin #2370; RMG #8472 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CHOH(48); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2H3O(1084)<=>CH2O(12)+CH2CHOH(48) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #2371; RMG #8473 +! Template reaction: Disproportionation +! Flux pairs: CHCHOH(55), CH2CHOH(48); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+CHCHOH(55)<=>CH2O(12)+CH2CHOH(48) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #2372; RMG #8476 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+OCH2CHO(510)<=>CH2O(12)+C2H4O2(1056) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2373; RMG #8477 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +CH2OH(26)+C2H3O2(1046)<=>CH2O(12)+C2H4O2(1056) 2.855610e+13 -0.375 0.493 + +! Reaction index: Chemkin #2374; RMG #8478 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CH2OH(26)+C2H3O2(1042)<=>CH2O(12)+C2H4O2(1056) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #2375; RMG #8479 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+OCH2CHO(510)<=>CH2O(12)+C2H4O2(1056) 1.080000e+07 2.000 0.000 + +! Reaction index: Chemkin #2376; RMG #8480 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2H3O2(1046)<=>CH2O(12)+C2H4O2(1056) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #2377; RMG #8481 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2H3O2(1042)<=>CH2O(12)+C2H4O2(1056) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #2378; RMG #8484 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CHOH(48); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+CH2CHO(45)<=>CH2O3(1000)+CH2CHOH(48) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #2379; RMG #8485 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CHOH(48); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2H3O(1084)<=>CH2O3(1000)+CH2CHOH(48) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #2380; RMG #8486 +! Template reaction: Disproportionation +! Flux pairs: CHCHOH(55), CH2CHOH(48); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+CHCHOH(55)<=>CH2O3(1000)+CH2CHOH(48) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #2381; RMG #8487 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CHOH(48); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+CH2CHO(45)<=>CH2O3(1000)+CH2CHOH(48) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2382; RMG #8488 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CHOH(48); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+C2H3O(1084)<=>CH2O3(1000)+CH2CHOH(48) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2383; RMG #8489 +! Template reaction: Disproportionation +! Flux pairs: CHCHOH(55), CH2CHOH(48); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+CHCHOH(55)<=>CH2O3(1000)+CH2CHOH(48) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2384; RMG #8494 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+OCH2CHO(510)<=>CH2O3(1000)+C2H4O2(1056) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #2385; RMG #8495 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2H3O2(1046)<=>CH2O3(1000)+C2H4O2(1056) 8.566830e+13 -0.375 0.000 + +! Reaction index: Chemkin #2386; RMG #8496 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2H3O2(1042)<=>CH2O3(1000)+C2H4O2(1056) 5.430000e+14 0.000 0.000 + +! Reaction index: Chemkin #2387; RMG #8497 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+OCH2CHO(510)<=>CH2O3(1000)+C2H4O2(1056) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2388; RMG #8498 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+C2H3O2(1046)<=>CH2O3(1000)+C2H4O2(1056) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2389; RMG #8499 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+C2H3O2(1042)<=>CH2O3(1000)+C2H4O2(1056) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2390; RMG #8506 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +HCCO(53)+C2H3O(1084)<=>CH2CO(30)+CH2CO(30) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #2391; RMG #8507 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); HCCO(53), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +HCCO(53)+CH3CO(47)<=>CH2CO(30)+CH2CO(30) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #2392; RMG #8508 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); HCCO(53), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCCO(53)+CH2CHO(45)<=>CH2CO(30)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2393; RMG #8509 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +[O]C(O)O(972)+C2H3O(1084)<=>OC(O)O(1039)+CH2CO(30) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2394; RMG #8510 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), CH2CO(30); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[C](O)O(1021)+C2H3O(1084)<=>OC(O)O(1039)+CH2CO(30) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #2395; RMG #8511 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); [O]C(O)O(972), OC(O)O(1039); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +[O]C(O)O(972)+CH3CO(47)<=>OC(O)O(1039)+CH2CO(30) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #2396; RMG #8512 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+CH3CO(47)<=>OC(O)O(1039)+CH2CO(30) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #2397; RMG #8513 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); [O]C(O)O(972), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+CH2CHO(45)<=>OC(O)O(1039)+CH2CO(30) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2398; RMG #8514 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +O[C](O)O(1021)+CH2CHO(45)<=>OC(O)O(1039)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2399; RMG #8522 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); OCH2CHO(510), C2H4O2(1056); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +OCH2CHO(510)+C2H3O3(1066)<=>C2H2O3(977)+C2H4O2(1056) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2400; RMG #8523 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); C2H3O2(1046), C2H4O2(1056); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +C2H3O2(1046)+C2H3O3(1066)<=>C2H2O3(977)+C2H4O2(1056) 2.855610e+13 -0.375 2.239 + +! Reaction index: Chemkin #2401; RMG #8524 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); C2H3O2(1042), C2H4O2(1056); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +C2H3O2(1042)+C2H3O3(1066)<=>C2H2O3(977)+C2H4O2(1056) 1.810000e+14 0.000 0.689 + +! Reaction index: Chemkin #2402; RMG #8525 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); OCH2CHO(510), C2H4O2(1056); +! Estimated from node Root_Ext-1R!H-R +OCH2CHO(510)+C2H3O3(1012)<=>C2H2O3(977)+C2H4O2(1056) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2403; RMG #8526 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); C2H3O2(1046), C2H4O2(1056); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +C2H3O2(1046)+C2H3O3(1012)<=>C2H2O3(977)+C2H4O2(1056) 2.360580e+13 -0.372 0.000 + +! Reaction index: Chemkin #2404; RMG #8527 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); C2H3O2(1042), C2H4O2(1056); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +C2H3O2(1042)+C2H3O3(1012)<=>C2H2O3(977)+C2H4O2(1056) 2.360580e+13 -0.372 0.000 + +! Reaction index: Chemkin #2405; RMG #8535 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), O(16); C2H3O3(1012), C2H3O2(1046); +C2H3O3(1012)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.407e+01 1.516e+00 -3.110e-03 -1.451e-03 / + CHEB/ 2.731e+01 -2.413e-03 -1.501e-03 -7.196e-04 / + CHEB/ 2.458e-01 -4.784e-04 -2.811e-04 -1.237e-04 / + CHEB/ -6.970e-02 1.488e-03 9.096e-04 4.257e-04 / + CHEB/ -9.253e-02 1.588e-03 9.695e-04 4.512e-04 / + CHEB/ -5.189e-02 9.457e-04 5.755e-04 2.664e-04 / + +! Reaction index: Chemkin #2406; RMG #612 +! Library reaction: CurranPentane +! Flux pairs: OH(3), HOCH2O2H(71); HOCH2O(38), HOCH2O2H(71); +OH(3)+HOCH2O(38)<=>HOCH2O2H(71) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2407; RMG #10040 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), C2H3O3(1012); C2H2O3(1031), C2H3O3(1012); +H(5)+C2H2O3(1031)(+M)<=>C2H3O3(1012)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.322e+00 1.049e+00 -1.862e-01 -3.492e-02 / + CHEB/ 2.269e+00 4.808e-01 1.506e-01 3.719e-03 / + CHEB/ 3.446e-01 -4.421e-02 1.785e-02 2.044e-02 / + CHEB/ -1.866e-02 -1.508e-02 -9.378e-03 1.036e-03 / + CHEB/ -6.860e-02 2.399e-04 -1.667e-03 -2.145e-03 / + CHEB/ -3.394e-02 8.420e-03 3.249e-03 -1.011e-04 / + +! Reaction index: Chemkin #2408; RMG #8550 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), O(16); C2H3O3(1012), C2H3O2(1042); +C2H3O3(1012)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.290e+01 1.486e+00 -2.077e-02 -9.447e-03 / + CHEB/ 3.086e+01 3.477e-02 2.079e-02 9.295e-03 / + CHEB/ 1.312e+00 -3.052e-03 -1.678e-03 -6.176e-04 / + CHEB/ 3.723e-01 2.653e-05 -1.586e-05 -3.383e-05 / + CHEB/ 3.566e-02 -1.206e-03 -7.122e-04 -3.103e-04 / + CHEB/ -2.796e-02 3.174e-04 1.821e-04 7.430e-05 / + +! Reaction index: Chemkin #2409; RMG #92 +! Library reaction: NOx2018 +! Flux pairs: CH4(20), C2H4(24); CH(23), H(5); +CH(23)+CH4(20)<=>H(5)+C2H4(24) 3.000000e+13 0.000 -0.400 + +! Reaction index: Chemkin #2410; RMG #115 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), C2H4(24); CH2(21), H(5); +CH2(21)+CH3(7)<=>H(5)+C2H4(24) 1.200000e+15 -0.343 0.153 + +! Reaction index: Chemkin #2411; RMG #116 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), C2H4(24); CH2(S)(22), H(5); +CH2(S)(22)+CH3(7)<=>H(5)+C2H4(24) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2412; RMG #172 +! Library reaction: NOx2018 +! Flux pairs: CH2OH(26), C2H4(24); CH3(7), H2O(17); +CH3(7)+CH2OH(26)<=>H2O(17)+C2H4(24) 1.000e+00 0.000 0.000 + PLOG/ 0.001000 6.300e+24 -3.713 2.798 / + PLOG/ 0.010000 1.200e+25 -3.787 3.001 / + PLOG/ 0.100000 3.200e+27 -4.450 5.345 / + PLOG/ 1.000000 7.200e+29 -5.034 9.245 / + PLOG/ 10.000000 1.700e+27 -4.184 11.152 / + PLOG/ 100.000000 3.900e+17 -1.369 8.978 / + +! Reaction index: Chemkin #2413; RMG #254 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), HCO(13); O(16), CH3(7); +O(16)+C2H4(24)<=>HCO(13)+CH3(7) 5.900000e+17 -1.717 2.891 + +! Reaction index: Chemkin #2414; RMG #255 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), CO(8); O(16), H(5); O(16), CH3(7); +O(16)+C2H4(24)<=>H(5)+CO(8)+CH3(7) 3.500000e+27 -4.190 22.819 + +! Reaction index: Chemkin #2415; RMG #256 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), CH3CO(47); O(16), H(5); +O(16)+C2H4(24)<=>H(5)+CH3CO(47) 8.700000e+12 -0.484 1.957 + +! Reaction index: Chemkin #2416; RMG #257 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), CH2CHO(45); O(16), H(5); +O(16)+C2H4(24)<=>H(5)+CH2CHO(45) 9.200000e+09 0.948 1.723 + +! Reaction index: Chemkin #2417; RMG #258 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), CH2O(12); O(16), CH2(21); +O(16)+C2H4(24)<=>CH2(21)+CH2O(12) 5.800000e+06 1.991 2.858 + +! Reaction index: Chemkin #2418; RMG #259 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), CH2CO(30); O(16), H2(6); +O(16)+C2H4(24)<=>H2(6)+CH2CO(30) 1.100000e+17 -1.831 3.177 + +! Reaction index: Chemkin #2419; RMG #261 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), CH2O(12); OH(3), CH3(7); +OH(3)+C2H4(24)<=>CH2O(12)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 5.400e+00 2.920 -1.733 / + PLOG/ 0.025000 3.200e+01 2.710 -1.172 / + PLOG/ 0.100000 5.600e+02 2.360 -0.181 / + PLOG/ 1.000000 1.800e+05 1.680 2.061 / + PLOG/ 10.000000 2.400e+09 0.560 6.007 / + PLOG/ 100.000000 2.800e+13 -0.500 11.455 / + +! Reaction index: Chemkin #2420; RMG #262 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), CH3CHO(40); OH(3), H(5); +OH(3)+C2H4(24)<=>H(5)+CH3CHO(40) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.400e-07 5.300 -2.051 / + PLOG/ 0.025000 8.700e-05 4.570 -0.618 / + PLOG/ 0.100000 4.000e-01 3.540 1.882 / + PLOG/ 1.000000 2.400e-02 3.910 1.723 / + PLOG/ 10.000000 8.300e+08 1.010 10.507 / + PLOG/ 100.000000 6.800e+09 0.810 13.867 / + +! Reaction index: Chemkin #2421; RMG #263 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), CH2CHOH(48); OH(3), H(5); +OH(3)+C2H4(24)<=>H(5)+CH2CHOH(48) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.000e+04 2.600 4.121 / + PLOG/ 0.025000 1.100e+04 2.600 4.129 / + PLOG/ 0.100000 1.500e+04 2.560 4.238 / + PLOG/ 1.000000 3.200e+05 2.190 5.256 / + PLOG/ 10.000000 1.900e+08 1.430 7.829 / + PLOG/ 100.000000 8.600e+10 0.750 11.491 / + +! Reaction index: Chemkin #2422; RMG #467 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), C2H4(24); CH2(21), HCO(13); +CH2(21)+CH2CHO(45)<=>HCO(13)+C2H4(24) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2423; RMG #468 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), C2H4(24); CH2(21), H(5); CH2(21), CO(8); +CH2(21)+CH2CHO(45)<=>H(5)+CO(8)+C2H4(24) 3.000000e+23 -2.473 19.927 + +! Reaction index: Chemkin #2424; RMG #481 +! Library reaction: NOx2018 +! Flux pairs: CH2CO(30), C2H4(24); CH2(S)(22), CO(8); +CH2(S)(22)+CH2CO(30)<=>CO(8)+C2H4(24) 1.600000e+14 0.000 0.000 + +! Reaction index: Chemkin #2425; RMG #3389 +! Library reaction: C2H4+O_Klipp2017 +! Flux pairs: C2H4(24), CO(8); O(16), CH4(20); +O(16)+C2H4(24)<=>CO(8)+CH4(20) 1.000000e+07 0.000 0.000 + +! Reaction index: Chemkin #2426; RMG #8584 +! PDep reaction: PDepNetwork #345 +! Flux pairs: C2H2O(1117), CH2CO(30); +C2H2O(1117)(+M)<=>CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.620e+01 2.074e+00 -2.082e-01 8.326e-03 / + CHEB/ 1.687e+01 9.315e-01 1.220e-01 -4.409e-02 / + CHEB/ 6.646e-01 4.901e-02 6.970e-02 1.824e-02 / + CHEB/ 1.780e-01 -4.381e-02 -1.856e-03 7.298e-03 / + CHEB/ 4.581e-02 -1.431e-02 -7.237e-03 -7.804e-04 / + CHEB/ 1.423e-02 -4.168e-03 -2.454e-03 -6.568e-04 / + +! Reaction index: Chemkin #2427; RMG #8585 +! PDep reaction: PDepNetwork #345 +! Flux pairs: C2H2O(1117), CHCHO(51); +C2H2O(1117)(+M)<=>CHCHO(51)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.631e+01 2.106e+00 -2.072e-01 5.243e-03 / + CHEB/ 1.756e+01 9.289e-01 1.307e-01 -4.106e-02 / + CHEB/ 1.037e+00 2.960e-02 6.548e-02 1.919e-02 / + CHEB/ 2.891e-01 -5.159e-02 -5.426e-03 6.889e-03 / + CHEB/ 4.131e-02 -1.534e-02 -8.221e-03 -1.081e-03 / + CHEB/ -1.673e-02 -3.470e-03 -2.432e-03 -7.292e-04 / + +! Reaction index: Chemkin #2428; RMG #6550 +! PDep reaction: PDepNetwork #178 +! Flux pairs: C2H2O(1085), C2H2O(1117); +C2H2O(1085)(+M)<=>C2H2O(1117)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.367e+01 2.151e+00 -2.021e-01 3.508e-03 / + CHEB/ 1.471e+01 9.191e-01 1.394e-01 -3.762e-02 / + CHEB/ 9.476e-01 7.397e-03 6.054e-02 2.054e-02 / + CHEB/ 2.836e-01 -5.918e-02 -9.703e-03 6.128e-03 / + CHEB/ 8.082e-02 -1.565e-02 -9.364e-03 -1.669e-03 / + CHEB/ 1.565e-02 -2.565e-03 -2.490e-03 -9.760e-04 / + +! Reaction index: Chemkin #2429; RMG #6552 +! PDep reaction: PDepNetwork #248 +! Flux pairs: H(5), C2H2O(1117); HCCO(53), C2H2O(1117); +H(5)+HCCO(53)(+M)<=>C2H2O(1117)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.181e+01 3.304e-01 -6.210e-02 2.594e-04 / + CHEB/ 2.792e-01 4.918e-01 -4.860e-02 -5.237e-03 / + CHEB/ 3.879e-02 2.164e-01 3.173e-03 -8.103e-03 / + CHEB/ -6.347e-02 6.173e-02 1.390e-02 -1.578e-03 / + CHEB/ -7.060e-02 7.814e-03 6.398e-03 1.377e-03 / + CHEB/ -4.747e-02 -3.025e-03 1.153e-03 9.319e-04 / +DUPLICATE + +! Reaction index: Chemkin #2430; RMG #6554 +! PDep reaction: PDepNetwork #252 +! Flux pairs: C2H2O(1080), C2H2O(1117); +C2H2O(1080)(+M)<=>C2H2O(1117)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.283e+01 2.317e+00 -1.262e-01 2.648e-02 / + CHEB/ 1.416e+01 8.061e-01 8.501e-02 -5.572e-02 / + CHEB/ 1.433e+00 -2.110e-02 5.369e-02 2.093e-02 / + CHEB/ 5.335e-01 -7.145e-02 -1.368e-02 6.618e-03 / + CHEB/ 1.781e-01 -1.823e-02 -1.221e-02 -2.900e-03 / + CHEB/ 4.198e-02 -4.967e-05 -2.718e-03 -1.769e-03 / + +! Reaction index: Chemkin #2431; RMG #8210 +! PDep reaction: PDepNetwork #250 +! Flux pairs: H(5), C2H2O(1117); HCCO(53), C2H2O(1117); +H(5)+HCCO(53)(+M)<=>C2H2O(1117)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.326e+01 -1.008e-01 -5.590e-02 -2.132e-02 / + CHEB/ 1.724e-01 9.674e-02 5.187e-02 1.822e-02 / + CHEB/ 2.088e-02 6.864e-03 5.405e-03 3.410e-03 / + CHEB/ 3.988e-04 -8.564e-04 -4.248e-04 -7.233e-05 / + CHEB/ -5.133e-03 -5.702e-03 -3.054e-03 -1.068e-03 / + CHEB/ -1.734e-03 -6.989e-04 -5.257e-04 -3.207e-04 / +DUPLICATE + +! Reaction index: Chemkin #2432; RMG #8564 +! Template reaction: R_Recombination +! Flux pairs: CH2OOH(37), HOCH2O2H(71); OH(3), HOCH2O2H(71); +! Estimated from node Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R +OH(3)+CH2OOH(37)<=>HOCH2O2H(71) 7.700000e+13 0.000 0.000 + +! Reaction index: Chemkin #2433; RMG #8567 +! Template reaction: R_Recombination +! Flux pairs: O[CH]OO(1038), HOCH2O2H(71); H(5), HOCH2O2H(71); +! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O +H(5)+O[CH]OO(1038)<=>HOCH2O2H(71) 7.882130e+12 0.315 0.000 + +! Reaction index: Chemkin #2434; RMG #8568 +! PDep reaction: PDepNetwork #343 +! Flux pairs: HOCH2O2H(71), HO2(4); HOCH2O2H(71), CH2OH(26); +HOCH2O2H(71)(+M)<=>HO2(4)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.463e+01 1.544e-01 -2.960e-02 9.480e-04 / + CHEB/ 2.308e+01 2.823e-01 -5.076e-02 4.294e-04 / + CHEB/ -4.222e-01 2.160e-01 -3.100e-02 -2.437e-03 / + CHEB/ -2.287e-01 1.378e-01 -1.082e-02 -4.151e-03 / + CHEB/ -1.193e-01 7.186e-02 2.117e-03 -3.700e-03 / + CHEB/ -5.885e-02 2.840e-02 6.654e-03 -1.905e-03 / + +! Reaction index: Chemkin #2435; RMG #8587 +! PDep reaction: PDepNetwork #345 +! Flux pairs: C2H2O(1117), CH(23); C2H2O(1117), HCO(13); +C2H2O(1117)(+M)<=>CH(23)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.902e+01 1.509e+00 -7.316e-03 -3.441e-03 / + CHEB/ 3.184e+01 2.933e-03 1.790e-03 8.341e-04 / + CHEB/ 4.957e-01 -2.598e-03 -1.584e-03 -7.361e-04 / + CHEB/ 1.521e-01 -9.641e-04 -5.889e-04 -2.747e-04 / + CHEB/ -1.792e-03 -1.046e-04 -6.348e-05 -2.922e-05 / + CHEB/ -3.564e-02 3.849e-05 2.396e-05 1.159e-05 / + +! Reaction index: Chemkin #2436; RMG #8594 +! PDep reaction: PDepNetwork #348 +! Flux pairs: C2H4(24), CH3OH(25); H2O(17), CH2(S)(22); +H2O(17)+C2H4(24)(+M)<=>CH2(S)(22)+CH3OH(25)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.985e+01 -7.084e-02 -2.961e-02 -6.560e-03 / + CHEB/ 3.383e+01 -1.074e-01 -4.302e-02 -8.305e-03 / + CHEB/ 1.644e-01 -3.770e-02 -1.169e-02 -7.180e-05 / + CHEB/ -9.165e-03 1.439e-02 8.776e-03 3.405e-03 / + CHEB/ -4.845e-03 2.816e-02 1.098e-02 1.622e-03 / + CHEB/ 1.262e-03 1.735e-02 4.215e-03 -9.938e-04 / + +! Reaction index: Chemkin #2437; RMG #8595 +! PDep reaction: PDepNetwork #348 +! Flux pairs: C2H4(24), CH3CH2O(41); H2O(17), H(5); +H2O(17)+C2H4(24)(+M)<=>H(5)+CH3CH2O(41)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.763e+01 -7.167e-02 -3.070e-02 -7.442e-03 / + CHEB/ 3.238e+01 -7.940e-02 -3.108e-02 -5.649e-03 / + CHEB/ 3.698e-01 1.353e-02 8.391e-03 3.484e-03 / + CHEB/ 1.209e-01 4.220e-02 1.560e-02 2.156e-03 / + CHEB/ 5.591e-02 2.244e-02 4.930e-03 -1.254e-03 / + CHEB/ 2.136e-02 1.212e-03 -1.698e-03 -1.149e-03 / + +! Reaction index: Chemkin #2438; RMG #8605 +! PDep reaction: PDepNetwork #207 +! Flux pairs: OCHCO(63), HCCO(53); OH(3), HO2(4); +OH(3)+OCHCO(63)(+M)<=>HO2(4)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.057e+00 -6.034e-03 -3.023e-03 -8.754e-04 / + CHEB/ 1.717e+01 7.484e-03 3.634e-03 9.454e-04 / + CHEB/ -9.325e-02 -1.257e-03 -5.212e-04 -5.475e-05 / + CHEB/ -1.676e-02 -6.096e-04 -2.970e-04 -7.530e-05 / + CHEB/ 3.644e-03 1.462e-04 3.973e-05 -1.771e-05 / + CHEB/ 2.252e-03 4.560e-05 2.335e-05 5.788e-06 / + +! Reaction index: Chemkin #2439; RMG #426 +! Library reaction: NOx2018 +! Flux pairs: CHCHOH(55), H(5); CHCHOH(55), HCCOH(54); +! Reaction library: 'NOx2018' +CHCHOH(55)<=>H(5)+HCCOH(54) 1.000e+00 0.000 0.000 + PLOG/ 0.040000 4.400e+29 -6.153 51.383 / + PLOG/ 1.000000 1.100e+31 -6.153 51.383 / + PLOG/ 10.000000 1.500e+32 -6.168 52.239 / + PLOG/ 100.000000 5.500e+29 -5.057 52.377 / + +! Reaction index: Chemkin #2440; RMG #428 +! Library reaction: NOx2018 +! Flux pairs: CHCHOH(55), HCCOH(54); H(5), H2(6); +H(5)+CHCHOH(55)<=>H2(6)+HCCOH(54) 4.500000e+13 0.000 0.000 + +! Reaction index: Chemkin #2441; RMG #430 +! Library reaction: NOx2018 +! Flux pairs: CHCHOH(55), HCCOH(54); OH(3), H2O(17); +OH(3)+CHCHOH(55)<=>H2O(17)+HCCOH(54) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2442; RMG #437 +! Library reaction: NOx2018 +! Flux pairs: CHCHOH(55), HCCOH(54); CH3(7), CH4(20); +CH3(7)+CHCHOH(55)<=>CH4(20)+HCCOH(54) 2.100000e+13 0.000 0.000 + +! Reaction index: Chemkin #2443; RMG #482 +! Library reaction: NOx2018 +! Flux pairs: HCCOH(54), HCCO(53); H(5), H2(6); +H(5)+HCCOH(54)<=>H2(6)+HCCO(53) 3.000000e+07 2.000 1.000 + +! Reaction index: Chemkin #2444; RMG #483 +! Library reaction: NOx2018 +! Flux pairs: HCCOH(54), HCCO(53); OH(3), H2O(17); +OH(3)+HCCOH(54)<=>H2O(17)+HCCO(53) 1.000000e+07 2.000 1.000 + +! Reaction index: Chemkin #2445; RMG #670 +! Library reaction: CurranPentane +! Flux pairs: HCCOH(54), CH2CO(30); H(5), H(5); +H(5)+HCCOH(54)<=>H(5)+CH2CO(30) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2446; RMG #6412 +! Template reaction: H_Abstraction +! Flux pairs: HCCOH(54), HCCO(53); O(16), OH(3); +! From training reaction 691 used for O/H/OneDeC;O_atom_triplet +! Exact match found for rate rule [O/H/OneDeC;O_atom_triplet] +! Euclidian distance = 0 +! family: H_Abstraction +O(16)+HCCOH(54)<=>OH(3)+HCCO(53) 1.700000e+08 1.500 4.130 + +! Reaction index: Chemkin #2447; RMG #8679 +! PDep reaction: PDepNetwork #353 +! Flux pairs: H(5), cC2H3O(61); HCCOH(54), cC2H3O(61); +H(5)+HCCOH(54)(+M)<=>cC2H3O(61)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.007e+00 1.124e+00 -7.849e-02 -8.787e-03 / + CHEB/ 3.910e+00 -5.577e-01 -6.316e-02 5.672e-03 / + CHEB/ 3.544e-01 -3.411e-01 4.503e-03 1.526e-02 / + CHEB/ -2.574e-02 -1.525e-01 4.283e-02 1.444e-02 / + CHEB/ -9.613e-02 -2.669e-02 4.382e-02 1.409e-03 / + CHEB/ -8.752e-02 2.784e-02 2.612e-02 -8.857e-03 / + +! Reaction index: Chemkin #2448; RMG #8678 +! PDep reaction: PDepNetwork #353 +! Flux pairs: H(5), CH3CO(47); HCCOH(54), CH3CO(47); +H(5)+HCCOH(54)(+M)<=>CH3CO(47)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.127e+00 1.470e+00 -2.236e-02 -6.208e-03 / + CHEB/ 5.069e+00 2.774e-02 9.312e-03 1.134e-03 / + CHEB/ 8.004e-01 1.110e-02 3.020e-03 -1.235e-03 / + CHEB/ 2.048e-01 -9.329e-03 -2.477e-03 3.305e-04 / + CHEB/ 3.990e-02 -6.135e-03 -2.954e-03 -5.856e-04 / + CHEB/ -3.539e-03 -2.133e-04 -7.522e-04 -6.125e-04 / + +! Reaction index: Chemkin #2449; RMG #8684 +! PDep reaction: PDepNetwork #353 +! Flux pairs: HCCOH(54), CO(8); H(5), CH3(7); +H(5)+HCCOH(54)(+M)<=>CO(8)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.185e+00 -5.127e-02 -2.240e-02 -5.940e-03 / + CHEB/ 4.555e+00 3.026e-02 1.013e-02 1.174e-03 / + CHEB/ 5.524e-01 1.238e-02 3.751e-03 -9.931e-04 / + CHEB/ 4.899e-02 -9.711e-03 -2.450e-03 4.937e-04 / + CHEB/ -4.223e-02 -6.086e-03 -2.977e-03 -5.987e-04 / + CHEB/ -4.538e-02 3.569e-05 -6.632e-04 -6.160e-04 / + +! Reaction index: Chemkin #2450; RMG #8677 +! PDep reaction: PDepNetwork #353 +! Flux pairs: H(5), CH2CHO(45); HCCOH(54), CH2CHO(45); +H(5)+HCCOH(54)(+M)<=>CH2CHO(45)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.073e+00 1.478e+00 -1.961e-02 -5.880e-03 / + CHEB/ 3.894e+00 2.369e-02 9.083e-03 2.043e-03 / + CHEB/ 5.163e-01 8.968e-03 2.007e-03 -1.350e-03 / + CHEB/ 1.213e-01 -6.486e-03 -1.667e-03 1.853e-04 / + CHEB/ 2.701e-02 -5.218e-03 -2.290e-03 -3.208e-04 / + CHEB/ 7.021e-03 -5.207e-04 -7.293e-04 -4.646e-04 / + +! Reaction index: Chemkin #2451; RMG #8680 +! PDep reaction: PDepNetwork #353 +! Flux pairs: H(5), C2H3O(1084); HCCOH(54), C2H3O(1084); +H(5)+HCCOH(54)(+M)<=>C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.559e+00 1.483e+00 -1.766e-02 -5.683e-03 / + CHEB/ 1.236e+00 2.430e-02 1.095e-02 3.558e-03 / + CHEB/ 5.502e-02 9.094e-03 2.520e-03 -7.417e-04 / + CHEB/ 7.704e-02 -3.694e-03 -6.398e-04 3.123e-04 / + CHEB/ 5.566e-02 -4.027e-03 -1.594e-03 -9.282e-05 / + CHEB/ 2.689e-02 -6.065e-04 -6.386e-04 -3.456e-04 / + +! Reaction index: Chemkin #2452; RMG #7491 +! Template reaction: H_Abstraction +! Flux pairs: HCCOH(54), HCCO(53); OCHO(11), FA(1); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/OneDeC;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+HCCOH(54)<=>FA(1)+HCCO(53) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #2453; RMG #7492 +! Template reaction: H_Abstraction +! Flux pairs: HCCOH(54), HCCO(53); HOCO(10), FA(1); +! Estimated using template [O_sec;CO_rad/NonDe] for rate rule [O/H/OneDeC;CO_rad/NonDe] +! Euclidian distance = 2.0 +! family: H_Abstraction +HOCO(10)+HCCOH(54)<=>FA(1)+HCCO(53) 1.582731e-04 4.663 41.320 + +! Reaction index: Chemkin #2454; RMG #7652 +! PDep reaction: PDepNetwork #319 +! Flux pairs: CHCHO(51), HCCOH(54); H(5), H(5); +H(5)+CHCHO(51)(+M)<=>H(5)+HCCOH(54)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.405e+01 -1.049e-01 -5.703e-02 -2.092e-02 / + CHEB/ -1.196e+00 7.658e-02 4.028e-02 1.358e-02 / + CHEB/ -1.985e-01 3.374e-02 1.782e-02 6.094e-03 / + CHEB/ 4.982e-02 -1.305e-02 -5.750e-03 -1.016e-03 / + CHEB/ 7.931e-02 -7.994e-03 -4.266e-03 -1.470e-03 / + CHEB/ 5.524e-02 -8.303e-04 -8.676e-04 -6.392e-04 / + +! Reaction index: Chemkin #2455; RMG #8207 +! PDep reaction: PDepNetwork #250 +! Flux pairs: H(5), HCCOH(54); HCCO(53), HCCOH(54); +H(5)+HCCO(53)(+M)<=>HCCOH(54)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.293e+01 2.989e-01 -5.388e-02 3.741e-03 / + CHEB/ -5.100e-01 4.313e-01 -5.220e-02 -4.509e-03 / + CHEB/ -3.588e-01 1.979e-01 3.024e-04 -6.776e-03 / + CHEB/ -1.831e-01 5.977e-02 1.183e-02 -1.783e-03 / + CHEB/ -7.536e-02 9.423e-03 6.020e-03 9.740e-04 / + CHEB/ -2.136e-02 -2.013e-03 1.294e-03 7.964e-04 / + +! Reaction index: Chemkin #2456; RMG #8632 +! PDep reaction: PDepNetwork #349 +! Flux pairs: HCCOH(54), CH2CO(30); +HCCOH(54)(+M)<=>CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.891e+01 1.934e+00 -2.620e-01 -7.274e-03 / + CHEB/ 2.701e+01 1.018e+00 1.579e-01 -2.977e-02 / + CHEB/ 2.239e-01 5.805e-02 6.709e-02 1.506e-02 / + CHEB/ 6.071e-03 -3.805e-02 -6.592e-04 6.048e-03 / + CHEB/ 1.478e-02 -9.807e-03 -4.916e-03 -3.062e-04 / + CHEB/ 3.132e-02 -1.813e-03 -1.178e-03 -2.804e-04 / + +! Reaction index: Chemkin #2457; RMG #8560 +! PDep reaction: PDepNetwork #173 +! Flux pairs: CHCHO(51), HCCOH(54); +CHCHO(51)(+M)<=>HCCOH(54)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.295e+01 1.970e+00 -2.599e-01 -1.008e-02 / + CHEB/ 2.219e+01 1.020e+00 1.674e-01 -2.704e-02 / + CHEB/ 5.556e-01 4.107e-02 6.403e-02 1.609e-02 / + CHEB/ 1.030e-01 -4.567e-02 -3.658e-03 5.916e-03 / + CHEB/ 1.034e-02 -1.177e-02 -5.957e-03 -4.560e-04 / + CHEB/ 3.997e-03 -2.147e-03 -1.421e-03 -3.048e-04 / + +! Reaction index: Chemkin #2458; RMG #8561 +! PDep reaction: PDepNetwork #178 +! Flux pairs: C2H2O(1085), HCCOH(54); +C2H2O(1085)(+M)<=>HCCOH(54)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.299e+01 2.019e+00 -2.534e-01 -1.145e-02 / + CHEB/ 1.376e+01 1.014e+00 1.771e-01 -2.394e-02 / + CHEB/ 4.341e-01 2.074e-02 6.030e-02 1.761e-02 / + CHEB/ 1.086e-01 -5.373e-02 -7.447e-03 5.524e-03 / + CHEB/ 5.880e-02 -1.336e-02 -7.292e-03 -8.767e-04 / + CHEB/ 4.149e-02 -2.312e-03 -1.830e-03 -5.255e-04 / + +! Reaction index: Chemkin #2459; RMG #8562 +! PDep reaction: PDepNetwork #252 +! Flux pairs: C2H2O(1080), HCCOH(54); +C2H2O(1080)(+M)<=>HCCOH(54)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.218e+01 2.196e+00 -1.733e-01 1.202e-02 / + CHEB/ 1.317e+01 9.107e-01 1.269e-01 -4.058e-02 / + CHEB/ 8.939e-01 -7.941e-03 5.360e-02 1.800e-02 / + CHEB/ 3.546e-01 -6.944e-02 -1.218e-02 6.039e-03 / + CHEB/ 1.626e-01 -1.985e-02 -1.119e-02 -1.977e-03 / + CHEB/ 7.617e-02 -2.676e-03 -3.182e-03 -1.405e-03 / + +! Reaction index: Chemkin #2460; RMG #8582 +! PDep reaction: PDepNetwork #345 +! Flux pairs: C2H2O(1117), HCCOH(54); +C2H2O(1117)(+M)<=>HCCOH(54)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.214e+00 1.288e+00 -1.002e-01 -2.142e-02 / + CHEB/ 1.813e+00 2.189e-01 7.639e-02 8.893e-03 / + CHEB/ -1.465e-01 -3.277e-03 2.197e-03 4.384e-03 / + CHEB/ -3.252e-02 2.526e-03 -2.391e-03 -4.585e-04 / + CHEB/ -3.355e-02 9.314e-03 9.254e-04 -1.155e-04 / + CHEB/ -3.190e-02 5.425e-03 8.679e-04 3.574e-04 / + +! Reaction index: Chemkin #2461; RMG #8607 +! PDep reaction: PDepNetwork #207 +! Flux pairs: OCHCO(63), HCCOH(54); OH(3), O2(983); +OH(3)+OCHCO(63)(+M)<=>O2(983)+HCCOH(54)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.910e+01 -1.241e-02 -7.000e-03 -2.752e-03 / + CHEB/ 2.271e+01 1.477e-02 8.263e-03 3.183e-03 / + CHEB/ 1.553e-01 -5.399e-04 -2.567e-04 -5.709e-05 / + CHEB/ 5.143e-02 -2.735e-03 -1.496e-03 -5.447e-04 / + CHEB/ 2.513e-02 1.440e-04 3.555e-05 -2.716e-05 / + CHEB/ 1.267e-02 4.548e-04 2.453e-04 8.565e-05 / + +! Reaction index: Chemkin #2462; RMG #8619 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), HCCOH(54); H(5), H2(6); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 2.0 +H(5)+C2H3O(1084)<=>H2(6)+HCCOH(54) 4.396080e+08 1.422 0.000 + +! Reaction index: Chemkin #2463; RMG #8620 +! Template reaction: CO_Disproportionation +! Flux pairs: HCCO(53), HCCOH(54); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+HCCO(53)<=>CO(8)+HCCOH(54) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #2464; RMG #8622 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), HCCOH(54); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+HCCO(53)<=>CO2(9)+HCCOH(54) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2465; RMG #8624 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), HCCOH(54); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+HCCO(53)<=>CO2(9)+HCCOH(54) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2466; RMG #8626 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), HCCOH(54); OH(3), H2O(17); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 2.0 +OH(3)+C2H3O(1084)<=>H2O(17)+HCCOH(54) 4.396080e+08 1.422 0.000 + +! Reaction index: Chemkin #2467; RMG #8635 +! PDep reaction: PDepNetwork #349 +! Flux pairs: HCCOH(54), CH(23); HCCOH(54), HCO(13); +HCCOH(54)(+M)<=>CH(23)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.269e+01 1.504e+00 -1.040e-02 -4.898e-03 / + CHEB/ 4.230e+01 6.513e-03 3.991e-03 1.872e-03 / + CHEB/ 1.713e-01 -2.831e-03 -1.723e-03 -7.969e-04 / + CHEB/ 2.447e-02 -1.379e-03 -8.426e-04 -3.931e-04 / + CHEB/ -1.201e-02 -2.300e-04 -1.404e-04 -6.544e-05 / + CHEB/ -1.097e-03 -6.199e-05 -3.775e-05 -1.750e-05 / + +! Reaction index: Chemkin #2468; RMG #8674 +! PDep reaction: PDepNetwork #350 +! Flux pairs: [CH]C(1161), C2H4(24); +[CH]C(1161)(+M)<=>C2H4(24)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.480e+00 1.519e+00 -7.574e-04 -3.593e-04 / + CHEB/ 2.846e+00 6.435e-04 3.960e-04 1.886e-04 / + CHEB/ -7.379e-01 2.328e-04 1.426e-04 6.792e-05 / + CHEB/ -3.119e-01 7.822e-05 4.748e-05 2.275e-05 / + CHEB/ -1.288e-01 -9.390e-06 -6.342e-06 -2.774e-06 / + CHEB/ -5.758e-02 5.723e-06 3.083e-06 1.662e-06 / + +! Reaction index: Chemkin #2469; RMG #8650 +! PDep reaction: PDepNetwork #344 +! Flux pairs: C2H4(24), CH(23); C2H4(24), CH3(7); +C2H4(24)(+M)<=>CH(23)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.672e+01 3.692e-03 -2.270e-03 1.072e-03 / + CHEB/ 5.269e+01 3.589e-03 -2.201e-03 1.035e-03 / + CHEB/ -3.130e-01 6.348e-04 -3.860e-04 1.784e-04 / + CHEB/ -2.485e-01 -4.791e-04 2.957e-04 -1.408e-04 / + CHEB/ -1.225e-01 -4.241e-04 2.599e-04 -1.220e-04 / + CHEB/ -4.882e-02 -2.062e-04 1.259e-04 -5.863e-05 / + +! Reaction index: Chemkin #2470; RMG #8667 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); CHCHOH(55), HCCOH(54); +! Estimated from node Root_Ext-1R!H-R +O(16)+CHCHOH(55)<=>OH(3)+HCCOH(54) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2471; RMG #8668 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), HCCOH(54); O(16), OH(3); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 2.0 +O(16)+C2H3O(1084)<=>OH(3)+HCCOH(54) 4.396080e+08 1.422 0.000 + +! Reaction index: Chemkin #2472; RMG #8673 +! PDep reaction: PDepNetwork #350 +! Flux pairs: [CH]C(1161), CH(23); [CH]C(1161), CH3(7); +[CH]C(1161)(+M)<=>CH(23)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.792e+01 3.980e-03 -2.445e-03 1.154e-03 / + CHEB/ 2.850e+01 4.075e-03 -2.497e-03 1.172e-03 / + CHEB/ -3.844e-02 9.440e-04 -5.740e-04 2.652e-04 / + CHEB/ -3.283e-02 -3.291e-04 2.047e-04 -9.882e-05 / + CHEB/ -1.464e-02 -3.712e-04 2.278e-04 -1.072e-04 / + CHEB/ -5.057e-03 -1.953e-04 1.192e-04 -5.554e-05 / + +! Reaction index: Chemkin #2473; RMG #10106 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), HCCOH(54); CH2(21), H(5); +HCO(13)+CH2(21)(+M)<=>H(5)+HCCOH(54)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.357e+00 -7.795e-03 -4.741e-03 -2.193e-03 / + CHEB/ 3.356e+00 2.864e-03 1.763e-03 8.349e-04 / + CHEB/ 8.434e-01 2.732e-03 1.604e-03 6.890e-04 / + CHEB/ 2.474e-01 -1.008e-03 -6.335e-04 -3.117e-04 / + CHEB/ 4.611e-02 -1.776e-03 -1.055e-03 -4.648e-04 / + CHEB/ -1.844e-02 -5.763e-04 -3.355e-04 -1.416e-04 / + +! Reaction index: Chemkin #2474; RMG #8685 +! PDep reaction: PDepNetwork #353 +! Flux pairs: HCCOH(54), C2H2O(1085); H(5), H(5); +H(5)+HCCOH(54)(+M)<=>H(5)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.039e+01 -1.181e-01 -3.784e-02 -7.222e-03 / + CHEB/ 1.691e+01 -1.889e-01 -5.350e-02 -7.271e-03 / + CHEB/ -5.564e-02 -9.578e-02 -1.413e-02 3.090e-03 / + CHEB/ -3.789e-01 -1.130e-02 1.575e-02 8.065e-03 / + CHEB/ -2.905e-01 3.286e-02 2.385e-02 5.638e-03 / + CHEB/ -1.484e-01 3.914e-02 1.592e-02 1.222e-04 / + +! Reaction index: Chemkin #2475; RMG #118 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), C2H2(34); C(33), H(5); +C(33)+CH3(7)<=>H(5)+C2H2(34) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2476; RMG #130 +! Library reaction: NOx2018 +! Flux pairs: CH2(21), C2H2(34); CH2(21), H(5); CH2(21), H(5); +CH2(21)+CH2(21)<=>H(5)+H(5)+C2H2(34) 7.000000e+13 0.002 0.008 + +! Reaction index: Chemkin #2477; RMG #131 +! Library reaction: NOx2018 +! Flux pairs: CH2(21), C2H2(34); CH2(21), H2(6); +CH2(21)+CH2(21)<=>H2(6)+C2H2(34) 1.800000e+13 0.002 0.008 + +! Reaction index: Chemkin #2478; RMG #132 +! Library reaction: NOx2018 +! Flux pairs: CH2(21), C2H2(34); CH(23), H(5); +CH(23)+CH2(21)<=>H(5)+C2H2(34) 4.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2479; RMG #297 +! Library reaction: NOx2018 +! Flux pairs: C2H2(34), HCCO(53); O(16), H(5); +O(16)+C2H2(34)<=>H(5)+HCCO(53) 1.400000e+07 2.000 1.900 + +! Reaction index: Chemkin #2480; RMG #298 +! Library reaction: NOx2018 +! Flux pairs: C2H2(34), CO(8); O(16), CH2(21); +O(16)+C2H2(34)<=>CO(8)+CH2(21) 6.100000e+06 2.000 1.900 + +! Reaction index: Chemkin #2481; RMG #299 +! Library reaction: NOx2018 +! Flux pairs: C2H2(34), CO(8); OH(3), CH3(7); +OH(3)+C2H2(34)<=>CO(8)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 4.800e+05 1.680 -0.330 / + PLOG/ 0.025000 4.400e+06 1.400 0.227 / + PLOG/ 0.100000 7.700e+07 1.050 1.115 / + PLOG/ 1.000000 1.300e+09 0.730 2.579 / + PLOG/ 10.000000 4.300e+08 0.920 3.736 / + PLOG/ 100.000000 8.300e+05 1.770 4.697 / + +! Reaction index: Chemkin #2482; RMG #300 +! Library reaction: NOx2018 +! Flux pairs: C2H2(34), HCCOH(54); OH(3), H(5); +OH(3)+C2H2(34)<=>H(5)+HCCOH(54) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.800e+05 2.280 12.419 / + PLOG/ 0.025000 7.500e+05 2.160 12.547 / + PLOG/ 0.100000 1.800e+06 2.040 12.669 / + PLOG/ 1.000000 2.400e+06 2.000 12.713 / + PLOG/ 10.000000 3.200e+06 1.970 12.810 / + PLOG/ 100.000000 7.400e+06 1.890 13.603 / + +! Reaction index: Chemkin #2483; RMG #301 +! Library reaction: NOx2018 +OH(3)+C2H2(34)<=>CHCHOH(55) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.900e+64 -18.570 10.009 / + PLOG/ 0.025000 4.700e+59 -16.870 9.087 / + PLOG/ 0.100000 1.200e+28 -5.560 3.724 / + PLOG/ 1.000000 1.900e+44 -11.380 6.299 / + PLOG/ 10.000000 1.500e+24 -4.060 3.261 / + PLOG/ 100.000000 6.200e+20 -2.800 2.831 / +DUPLICATE +! Reaction index: Chemkin #2484; RMG #301 +! Library reaction: NOx2018 +OH(3)+C2H2(34)<=>CHCHOH(55) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.600e+33 -7.360 6.392 / + PLOG/ 0.025000 4.400e+32 -7.020 5.933 / + PLOG/ 0.100000 6.400e+42 -9.960 11.737 / + PLOG/ 1.000000 3.500e+31 -6.200 6.635 / + PLOG/ 10.000000 4.500e+31 -5.920 8.761 / + PLOG/ 100.000000 1.600e+29 -4.910 9.734 / +DUPLICATE + + +! Reaction index: Chemkin #2485; RMG #302 +! Library reaction: NOx2018 +! Flux pairs: C2H2(34), CH2CO(30); OH(3), H(5); +OH(3)+C2H2(34)<=>H(5)+CH2CO(30) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.700e+03 2.560 -0.844 / + PLOG/ 0.025000 1.500e+04 2.280 -0.292 / + PLOG/ 0.100000 3.000e+05 1.920 0.598 / + PLOG/ 1.000000 7.500e+06 1.550 2.106 / + PLOG/ 10.000000 5.100e+06 1.650 3.400 / + PLOG/ 100.000000 1.500e+04 2.450 4.477 / + +! Reaction index: Chemkin #2486; RMG #305 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>OH(3)+CHCHO(51) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 5.500e+09 0.910 18.500 / + PLOG/ 0.100000 5.900e+09 0.900 18.550 / + PLOG/ 0.316000 6.800e+09 0.880 18.640 / + PLOG/ 1.000000 1.600e+10 0.770 19.040 / + PLOG/ 3.160000 3.500e+09 0.990 18.810 / + PLOG/ 10.000000 5.400e+10 0.610 20.740 / + PLOG/ 31.600000 3.700e+08 1.230 15.960 / + PLOG/ 100.000000 1.500e+11 0.480 17.730 / +DUPLICATE +! Reaction index: Chemkin #2487; RMG #305 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>OH(3)+CHCHO(51) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.400e+07 1.540 14.690 / + PLOG/ 0.100000 2.500e+07 1.540 14.700 / + PLOG/ 0.316000 2.600e+07 1.540 14.730 / + PLOG/ 1.000000 2.500e+07 1.560 14.790 / + PLOG/ 3.160000 1.500e+08 1.320 15.090 / + PLOG/ 10.000000 1.600e+08 1.360 15.420 / + PLOG/ 31.600000 1.700e+07 1.590 15.910 / + PLOG/ 100.000000 7.200e+06 1.730 16.020 / +DUPLICATE + + +! Reaction index: Chemkin #2488; RMG #306 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>OH(3)+CH2CO(30) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 6.300e-07 4.750 15.530 / + PLOG/ 0.100000 6.700e-07 4.740 15.550 / + PLOG/ 0.316000 4.200e-07 4.810 15.410 / + PLOG/ 1.000000 5.300e-07 4.780 15.460 / + PLOG/ 3.160000 1.000e-06 4.690 15.640 / + PLOG/ 10.000000 4.700e-05 4.220 16.780 / + PLOG/ 31.600000 9.000e-01 2.970 19.730 / + PLOG/ 100.000000 3.600e+03 1.970 23.010 / +DUPLICATE +! Reaction index: Chemkin #2489; RMG #306 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>OH(3)+CH2CO(30) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.300e-14 6.580 10.270 / + PLOG/ 0.100000 1.300e-14 6.590 10.330 / + PLOG/ 0.316000 4.000e-14 6.360 10.270 / + PLOG/ 1.000000 3.300e-15 6.700 10.090 / + PLOG/ 3.160000 8.700e-21 8.300 8.107 / + PLOG/ 10.000000 8.400e-22 8.760 8.804 / + PLOG/ 31.600000 6.900e-14 6.670 13.130 / + PLOG/ 100.000000 6.600e-12 6.150 14.730 / +DUPLICATE + + +! Reaction index: Chemkin #2490; RMG #307 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>O(16)+CH2CHO(45) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 5.500e+00 1.190 12.880 / + PLOG/ 0.100000 1.100e+08 0.770 13.600 / + PLOG/ 0.316000 1.200e+07 1.090 13.050 / + PLOG/ 1.000000 3.000e+07 0.980 13.310 / + PLOG/ 3.160000 2.000e+74 -16.330 109.200 / + PLOG/ 10.000000 7.500e+14 -1.170 18.350 / + PLOG/ 31.600000 8.600e+18 -2.270 22.230 / + PLOG/ 100.000000 5.800e+18 -2.090 24.350 / +DUPLICATE +! Reaction index: Chemkin #2491; RMG #307 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>O(16)+CH2CHO(45) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.900e-04 4.160 7.736 / + PLOG/ 0.100000 6.100e+03 3.810 8.394 / + PLOG/ 0.316000 5.400e-04 4.090 8.044 / + PLOG/ 1.000000 2.500e-04 4.190 8.203 / + PLOG/ 3.160000 6.600e+04 1.850 12.360 / + PLOG/ 10.000000 2.900e-01 3.380 10.590 / + PLOG/ 31.600000 2.000e+00 3.170 11.740 / + PLOG/ 100.000000 1.100e-01 3.520 11.980 / +DUPLICATE + + +! Reaction index: Chemkin #2492; RMG #308 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>H(5)+OCHCHO(52) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 8.500e+07 0.480 11.720 / + PLOG/ 0.100000 7.400e+07 0.500 11.690 / + PLOG/ 0.316000 7.900e+07 0.490 11.700 / + PLOG/ 1.000000 2.200e+09 0.060 12.470 / + PLOG/ 3.160000 7.000e+49 -10.180 77.110 / + PLOG/ 10.000000 4.100e+16 -2.030 17.630 / + PLOG/ 31.600000 9.400e+16 -2.030 19.590 / + PLOG/ 100.000000 5.900e+21 -3.320 25.030 / +DUPLICATE +! Reaction index: Chemkin #2493; RMG #308 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>H(5)+OCHCHO(52) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.400e-06 4.430 5.578 / + PLOG/ 0.100000 2.000e-06 4.450 5.564 / + PLOG/ 0.316000 1.800e-06 4.460 5.654 / + PLOG/ 1.000000 2.200e-05 4.170 6.416 / + PLOG/ 3.160000 7.700e+05 1.180 11.340 / + PLOG/ 10.000000 2.000e-02 3.380 8.696 / + PLOG/ 31.600000 6.100e-03 3.530 9.217 / + PLOG/ 100.000000 6.800e-02 3.270 10.760 / +DUPLICATE + + +! Reaction index: Chemkin #2494; RMG #309 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>HCO(13)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 3.900e+13 -1.170 13.750 / + PLOG/ 0.100000 4.300e+00 2.640 7.253 / + PLOG/ 0.316000 2.600e-06 4.340 4.525 / + PLOG/ 1.000000 3.300e+102 -24.180 138.600 / + PLOG/ 3.160000 5.200e+15 -1.750 15.180 / + PLOG/ 10.000000 7.300e+35 -7.770 26.970 / + PLOG/ 31.600000 1.800e+28 -5.300 25.130 / + PLOG/ 100.000000 2.500e+16 -1.700 20.030 / +DUPLICATE +! Reaction index: Chemkin #2495; RMG #309 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>HCO(13)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 8.400e+00 2.560 7.382 / + PLOG/ 0.100000 1.600e+13 -1.050 13.520 / + PLOG/ 0.316000 6.900e+09 0.000 11.720 / + PLOG/ 1.000000 8.100e+07 0.600 10.850 / + PLOG/ 3.160000 3.500e+00 2.690 8.025 / + PLOG/ 10.000000 9.800e+06 0.910 11.710 / + PLOG/ 31.600000 1.800e+04 1.700 11.250 / + PLOG/ 100.000000 4.300e-06 4.310 6.829 / +DUPLICATE + + +! Reaction index: Chemkin #2496; RMG #310 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>H(5)+CO(8)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 9.100e+13 -1.170 13.750 / + PLOG/ 0.100000 9.900e+00 2.640 7.253 / + PLOG/ 0.316000 6.100e-06 4.340 4.525 / + PLOG/ 1.000000 7.800e+102 -24.180 138.600 / + PLOG/ 3.160000 1.200e+16 -1.750 15.180 / + PLOG/ 10.000000 1.700e+36 -7.770 26.970 / + PLOG/ 31.600000 4.100e+28 -5.300 25.130 / + PLOG/ 100.000000 5.800e+16 -1.700 20.030 / +DUPLICATE +! Reaction index: Chemkin #2497; RMG #310 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>H(5)+CO(8)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.000e+01 2.560 7.382 / + PLOG/ 0.100000 3.600e+13 -1.050 13.520 / + PLOG/ 0.316000 1.600e+10 0.000 11.720 / + PLOG/ 1.000000 1.900e+08 0.600 10.850 / + PLOG/ 3.160000 8.300e+00 2.690 8.025 / + PLOG/ 10.000000 2.300e+07 0.910 11.710 / + PLOG/ 31.600000 4.200e+04 1.700 11.250 / + PLOG/ 100.000000 1.000e-05 4.310 6.829 / +DUPLICATE + + +! Reaction index: Chemkin #2498; RMG #311 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>CO(8)+CH3O(27) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 3.500e+11 0.000 49.510 / + PLOG/ 0.100000 2.800e+08 0.010 11.920 / + PLOG/ 0.316000 8.100e+07 0.180 11.650 / + PLOG/ 1.000000 8.900e+69 -15.850 102.500 / + PLOG/ 3.160000 5.700e+12 -1.250 14.570 / + PLOG/ 10.000000 3.300e+23 -4.450 21.210 / + PLOG/ 31.600000 2.400e+22 -3.960 22.650 / + PLOG/ 100.000000 1.200e+18 -2.570 22.360 / +DUPLICATE +! Reaction index: Chemkin #2499; RMG #311 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>CO(8)+CH3O(27) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.900e+04 1.230 9.903 / + PLOG/ 0.100000 9.700e-07 4.150 5.173 / + PLOG/ 0.316000 1.800e-08 4.620 4.517 / + PLOG/ 1.000000 5.400e+05 0.860 10.700 / + PLOG/ 3.160000 5.400e-04 3.420 7.218 / + PLOG/ 10.000000 2.900e+02 1.840 10.460 / + PLOG/ 31.600000 8.100e+00 2.300 10.560 / + PLOG/ 100.000000 6.900e-04 3.420 9.329 / +DUPLICATE + + +! Reaction index: Chemkin #2500; RMG #312 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>CO2(9)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.200e-07 4.310 4.614 / + PLOG/ 0.100000 1.100e-07 4.320 4.622 / + PLOG/ 0.316000 1.800e+142 -35.040 188.700 / + PLOG/ 1.000000 4.000e+84 -19.800 119.800 / + PLOG/ 3.160000 5.000e+13 -1.600 14.980 / + PLOG/ 10.000000 8.600e+28 -6.150 24.030 / + PLOG/ 31.600000 1.300e+27 -5.420 25.380 / + PLOG/ 100.000000 1.700e+15 -1.800 20.370 / +DUPLICATE +! Reaction index: Chemkin #2501; RMG #312 +! Library reaction: NOx2018 +HO2(4)+C2H2(34)<=>CO2(9)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.000e+08 0.000 11.790 / + PLOG/ 0.100000 2.000e+08 0.000 11.780 / + PLOG/ 0.316000 1.600e+05 0.950 10.200 / + PLOG/ 1.000000 1.400e+06 0.680 10.810 / + PLOG/ 3.160000 9.300e-03 3.000 7.659 / + PLOG/ 10.000000 1.900e+04 1.260 11.230 / + PLOG/ 31.600000 2.900e+02 1.790 11.240 / + PLOG/ 100.000000 3.900e-07 4.210 7.314 / +DUPLICATE + + +! Reaction index: Chemkin #2502; RMG #313 +! Library reaction: NOx2018 +O2(2)+C2H2(34)<=>HCO(13)+HCO(13) 6.100000e+12 0.000 53.250 +DUPLICATE +! Reaction index: Chemkin #2503; RMG #313 +! Library reaction: NOx2018 +O2(2)+C2H2(34)<=>HCO(13)+HCO(13) 1.700000e+07 1.670 70.960 +DUPLICATE + + +! Reaction index: Chemkin #2504; RMG #314 +! Library reaction: NOx2018 +O2(2)+C2H2(34)<=>H(5)+CO(8)+HCO(13) 6.700000e+33 -5.633 82.336 +DUPLICATE +! Reaction index: Chemkin #2505; RMG #314 +! Library reaction: NOx2018 +O2(2)+C2H2(34)<=>H(5)+CO(8)+HCO(13) 1.100000e+26 -3.525 73.959 +DUPLICATE + + +! Reaction index: Chemkin #2506; RMG #315 +! Library reaction: NOx2018 +! Flux pairs: C2H2(34), C2H2(34); CH2(S)(22), CH2(21); +CH2(S)(22)+C2H2(34)<=>CH2(21)+C2H2(34) 4.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2507; RMG #499 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), C2H2(34); CH(23), CO(8); +CH(23)+HCCO(53)<=>CO(8)+C2H2(34) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2508; RMG #500 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), C2H2(34); HCCO(53), CO(8); HCCO(53), CO(8); +HCCO(53)+HCCO(53)<=>CO(8)+CO(8)+C2H2(34) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2509; RMG #3390 +! Library reaction: C2H4+O_Klipp2017 +! Flux pairs: C2H4(24), C2H2(34); O(16), H2O(17); +O(16)+C2H4(24)<=>H2O(17)+C2H2(34) 1.000000e+07 0.000 0.000 + +! Reaction index: Chemkin #2510; RMG #9170 +! PDep reaction: PDepNetwork #378 +! Flux pairs: O(16), CH2CO(30); C2H2(34), CH2CO(30); +O(16)+C2H2(34)(+M)<=>CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.610e+00 1.399e+00 -6.733e-02 -2.568e-02 / + CHEB/ 1.023e+00 6.597e-02 3.489e-02 1.185e-02 / + CHEB/ -2.418e-01 -1.505e-03 2.156e-04 9.486e-04 / + CHEB/ -1.267e-01 2.520e-03 1.375e-03 5.206e-04 / + CHEB/ -5.908e-02 5.075e-03 2.674e-03 8.997e-04 / + CHEB/ -1.750e-02 3.084e-03 1.659e-03 5.909e-04 / + +! Reaction index: Chemkin #2511; RMG #9169 +! PDep reaction: PDepNetwork #378 +! Flux pairs: O(16), CHCHO(51); C2H2(34), CHCHO(51); +O(16)+C2H2(34)(+M)<=>CHCHO(51)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.679e+00 1.410e+00 -6.089e-02 -2.295e-02 / + CHEB/ 1.589e+00 6.428e-02 3.362e-02 1.106e-02 / + CHEB/ 9.433e-02 -1.472e-04 9.447e-04 1.209e-03 / + CHEB/ -2.575e-02 2.867e-03 1.573e-03 6.028e-04 / + CHEB/ -6.227e-02 5.040e-03 2.685e-03 9.306e-04 / + CHEB/ -4.418e-02 2.762e-03 1.507e-03 5.548e-04 / + +! Reaction index: Chemkin #2512; RMG #5671 +! PDep reaction: PDepNetwork #164 +! Flux pairs: CH2CO(30), O-2(1040); CH2CO(30), C2H2(34); +CH2CO(30)(+M)<=>O-2(1040)+C2H2(34)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.974e+01 1.516e+00 -3.021e-03 -1.432e-03 / + CHEB/ 5.394e+01 1.104e-03 6.805e-04 3.230e-04 / + CHEB/ -2.737e-01 -7.582e-04 -4.647e-04 -2.182e-04 / + CHEB/ -1.352e-01 3.045e-06 2.242e-06 1.406e-06 / + CHEB/ -7.000e-02 2.752e-04 1.693e-04 8.013e-05 / + CHEB/ -1.781e-02 2.636e-04 1.620e-04 7.643e-05 / + +! Reaction index: Chemkin #2513; RMG #5674 +! PDep reaction: PDepNetwork #173 +! Flux pairs: CHCHO(51), O-2(1040); CHCHO(51), C2H2(34); +CHCHO(51)(+M)<=>O-2(1040)+C2H2(34)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.956e+01 1.517e+00 -2.158e-03 -1.023e-03 / + CHEB/ 3.801e+01 1.631e-04 1.003e-04 4.748e-05 / + CHEB/ -3.888e-02 -6.540e-04 -4.013e-04 -1.889e-04 / + CHEB/ -6.053e-02 3.516e-05 2.182e-05 1.050e-05 / + CHEB/ -7.214e-02 2.850e-04 1.753e-04 8.289e-05 / + CHEB/ -4.797e-02 2.682e-04 1.648e-04 7.778e-05 / + +! Reaction index: Chemkin #2514; RMG #5689 +! PDep reaction: PDepNetwork #178 +! Flux pairs: C2H2O(1085), O-2(1040); C2H2O(1085), C2H2(34); +C2H2O(1085)(+M)<=>O-2(1040)+C2H2(34)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.905e+01 1.517e+00 -2.118e-03 -1.004e-03 / + CHEB/ 2.936e+01 2.379e-04 1.463e-04 6.912e-05 / + CHEB/ -2.368e-01 -6.031e-04 -3.701e-04 -1.742e-04 / + CHEB/ -8.517e-02 5.749e-05 3.552e-05 1.695e-05 / + CHEB/ -3.369e-02 2.895e-04 1.780e-04 8.419e-05 / + CHEB/ -1.236e-02 2.644e-04 1.625e-04 7.671e-05 / + +! Reaction index: Chemkin #2515; RMG #9171 +! PDep reaction: PDepNetwork #378 +! Flux pairs: O(16), C2H2O(1085); C2H2(34), C2H2O(1085); +O(16)+C2H2(34)(+M)<=>C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.643e+00 1.414e+00 -5.888e-02 -2.225e-02 / + CHEB/ 1.336e+00 6.747e-02 3.542e-02 1.176e-02 / + CHEB/ -9.439e-02 7.243e-04 1.428e-03 1.397e-03 / + CHEB/ -4.453e-02 2.849e-03 1.569e-03 6.075e-04 / + CHEB/ -1.891e-02 4.711e-03 2.522e-03 8.854e-04 / + CHEB/ -5.080e-03 2.406e-03 1.330e-03 5.039e-04 / + +! Reaction index: Chemkin #2516; RMG #6517 +! PDep reaction: PDepNetwork #248 +! Flux pairs: HCCO(53), C2H2(34); H(5), O-2(1040); +H(5)+HCCO(53)(+M)<=>O-2(1040)+C2H2(34)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.390e+01 -3.754e-03 -2.312e-03 -1.096e-03 / + CHEB/ 2.025e+01 7.493e-04 4.609e-04 2.180e-04 / + CHEB/ -1.044e-01 -5.204e-04 -3.190e-04 -1.499e-04 / + CHEB/ -1.644e-02 9.846e-05 6.074e-05 2.889e-05 / + CHEB/ -3.985e-03 2.942e-04 1.810e-04 8.560e-05 / + CHEB/ 1.229e-03 2.522e-04 1.550e-04 7.321e-05 / + +! Reaction index: Chemkin #2517; RMG #9172 +! PDep reaction: PDepNetwork #378 +! Flux pairs: O(16), C2H2O(1080); C2H2(34), C2H2O(1080); +O(16)+C2H2(34)(+M)<=>C2H2O(1080)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.502e+00 1.403e+00 -6.583e-02 -2.546e-02 / + CHEB/ 1.143e+00 7.241e-02 3.848e-02 1.323e-02 / + CHEB/ 3.696e-02 -7.445e-04 5.489e-04 1.003e-03 / + CHEB/ 6.625e-02 1.616e-03 8.182e-04 2.584e-04 / + CHEB/ 3.714e-02 3.864e-03 2.002e-03 6.403e-04 / + CHEB/ 1.750e-02 2.031e-03 1.094e-03 3.896e-04 / + +! Reaction index: Chemkin #2518; RMG #6566 +! PDep reaction: PDepNetwork #252 +! Flux pairs: C2H2O(1080), O-2(1040); C2H2O(1080), C2H2(34); +C2H2O(1080)(+M)<=>O-2(1040)+C2H2(34)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.896e+01 1.514e+00 -4.247e-03 -2.014e-03 / + CHEB/ 2.838e+01 4.801e-04 2.980e-04 1.435e-04 / + CHEB/ -5.060e-02 -1.685e-03 -1.034e-03 -4.865e-04 / + CHEB/ 1.663e-02 -7.591e-04 -4.657e-04 -2.192e-04 / + CHEB/ 2.518e-03 -2.318e-04 -1.418e-04 -6.629e-05 / + CHEB/ 5.516e-03 -4.244e-05 -2.564e-05 -1.168e-05 / + +! Reaction index: Chemkin #2519; RMG #9173 +! PDep reaction: PDepNetwork #378 +! Flux pairs: O(16), C2H2O(1117); C2H2(34), C2H2O(1117); +O(16)+C2H2(34)(+M)<=>C2H2O(1117)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.579e+00 1.376e+00 -7.930e-02 -2.952e-02 / + CHEB/ 4.437e+00 1.464e-01 7.700e-02 2.586e-02 / + CHEB/ 1.209e+00 -1.345e-02 -5.143e-03 -5.401e-05 / + CHEB/ 3.734e-01 -1.032e-02 -5.786e-03 -2.223e-03 / + CHEB/ 5.843e-02 1.789e-05 -3.136e-04 -3.939e-04 / + CHEB/ -1.806e-02 1.431e-04 7.062e-05 1.335e-05 / + +! Reaction index: Chemkin #2520; RMG #8590 +! PDep reaction: PDepNetwork #345 +! Flux pairs: C2H2O(1117), O-2(1040); C2H2O(1117), C2H2(34); +C2H2O(1117)(+M)<=>O-2(1040)+C2H2(34)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.510e+01 1.508e+00 -7.862e-03 -3.717e-03 / + CHEB/ 3.346e+01 3.138e-03 1.928e-03 9.098e-04 / + CHEB/ 3.063e-01 -2.475e-03 -1.513e-03 -7.073e-04 / + CHEB/ 6.101e-02 -7.864e-04 -4.812e-04 -2.253e-04 / + CHEB/ -5.003e-02 6.453e-05 4.047e-05 1.987e-05 / + CHEB/ -4.585e-02 2.009e-04 1.237e-04 5.860e-05 / + +! Reaction index: Chemkin #2521; RMG #9174 +! PDep reaction: PDepNetwork #378 +! Flux pairs: O(16), HCCOH(54); C2H2(34), HCCOH(54); +O(16)+C2H2(34)(+M)<=>HCCOH(54)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.908e+00 1.334e+00 -1.031e-01 -3.939e-02 / + CHEB/ 3.516e+00 1.854e-01 9.919e-02 3.487e-02 / + CHEB/ 7.284e-01 -1.367e-02 -5.216e-03 -4.113e-05 / + CHEB/ 2.304e-01 -1.212e-02 -6.801e-03 -2.628e-03 / + CHEB/ 5.928e-02 -2.463e-04 -4.689e-04 -4.598e-04 / + CHEB/ 2.273e-02 -5.663e-05 -4.461e-05 -3.385e-05 / + +! Reaction index: Chemkin #2522; RMG #8637 +! PDep reaction: PDepNetwork #349 +! Flux pairs: HCCOH(54), O-2(1040); HCCOH(54), C2H2(34); +HCCOH(54)(+M)<=>O-2(1040)+C2H2(34)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.892e+01 1.504e+00 -1.003e-02 -4.743e-03 / + CHEB/ 4.394e+01 5.217e-03 3.209e-03 1.517e-03 / + CHEB/ -7.384e-03 -2.772e-03 -1.694e-03 -7.899e-04 / + CHEB/ -6.281e-02 -1.122e-03 -6.869e-04 -3.216e-04 / + CHEB/ -6.243e-02 -1.511e-05 -8.282e-06 -2.975e-06 / + CHEB/ -1.432e-02 1.464e-04 9.025e-05 4.284e-05 / + +! Reaction index: Chemkin #2523; RMG #117 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), C2H3(32); CH(23), H(5); +CH(23)+CH3(7)<=>H(5)+C2H3(32) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2524; RMG #251 +! Library reaction: NOx2018 +! Flux pairs: H(5), C2H4(24); C2H3(32), C2H4(24); +! Reaction library: 'NOx2018' +H(5)+C2H3(32)(+M)<=>C2H4(24)(+M) 3.900e+13 0.200 0.000 + + LOW/ 2.100e+24 -1.300 0.000 / + TROE/ 5.000e-01 1e-30 1e+30 1e+30 / + +! Reaction index: Chemkin #2525; RMG #253 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), C2H3(32); H(5), H2(6); +H(5)+C2H4(24)<=>H2(6)+C2H3(32) 2.400000e+02 3.620 11.266 + +! Reaction index: Chemkin #2526; RMG #260 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), C2H3(32); OH(3), H2O(17); +OH(3)+C2H4(24)<=>H2O(17)+C2H3(32) 1.300000e-01 4.200 -0.860 + +! Reaction index: Chemkin #2527; RMG #267 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), C2H3(32); O2(2), HO2(4); +O2(2)+C2H4(24)<=>HO2(4)+C2H3(32) 7.100000e+13 0.000 60.010 + +! Reaction index: Chemkin #2528; RMG #268 +! Library reaction: NOx2018 +CH3(7)+C2H4(24)<=>CH4(20)+C2H3(32) 9.800000e+02 2.947 15.148 +DUPLICATE +! Reaction index: Chemkin #2529; RMG #268 +! Library reaction: NOx2018 +CH3(7)+C2H4(24)<=>CH4(20)+C2H3(32) 8.100000e-05 4.417 8.836 +DUPLICATE + + +! Reaction index: Chemkin #2530; RMG #269 +! Library reaction: NOx2018 +CH2(S)(22)+C2H4(24)<=>CH3(7)+C2H3(32) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.800e+19 -1.950 6.787 / + PLOG/ 0.100000 1.700e+19 -1.800 4.310 / + PLOG/ 1.000000 4.200e+24 -3.190 9.759 / + PLOG/ 10.000000 7.900e+24 -3.080 13.894 / + PLOG/ 100.000000 7.400e+29 -4.280 23.849 / +DUPLICATE +! Reaction index: Chemkin #2531; RMG #269 +! Library reaction: NOx2018 +CH2(S)(22)+C2H4(24)<=>CH3(7)+C2H3(32) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 4.300e+12 0.190 -0.110 / + PLOG/ 0.100000 2.300e+11 0.540 0.048 / + PLOG/ 1.000000 4.900e+09 1.020 0.600 / + PLOG/ 10.000000 1.500e+08 1.330 1.228 / + PLOG/ 100.000000 8.100e+10 0.550 5.507 / +DUPLICATE + + +! Reaction index: Chemkin #2532; RMG #270 +! Library reaction: NOx2018 +! Flux pairs: H(5), C2H3(32); C2H2(34), C2H3(32); +! Reaction library: 'NOx2018' +H(5)+C2H2(34)(+M)<=>C2H3(32)(+M) 1.700e+10 1.266 2.709 +CO(8)/2.00/ H2(6)/2.00/ CO2(9)/3.00/ H2O(17)/5.00/ + LOW/ 6.300e+31 -4.664 3.780 / + TROE/ 7.878e-01 -1.02e+04 1e-30 / + +! Reaction index: Chemkin #2533; RMG #271 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), C2H2(34); H(5), H2(6); +H(5)+C2H3(32)<=>H2(6)+C2H2(34) 4.500000e+13 0.000 0.000 + +! Reaction index: Chemkin #2534; RMG #272 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), CH2CO(30); O(16), H(5); +O(16)+C2H3(32)<=>H(5)+CH2CO(30) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2535; RMG #273 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), C2H2(34); OH(3), H2O(17); +OH(3)+C2H3(32)<=>H2O(17)+C2H2(34) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2536; RMG #274 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), CH2CHO(45); HO2(4), OH(3); +HO2(4)+C2H3(32)<=>OH(3)+CH2CHO(45) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2537; RMG #276 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>OH(3)+CHCHO(51) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 3.900e+11 -0.110 2.131 / + PLOG/ 0.100000 1.100e+09 0.550 0.046 / + PLOG/ 0.316000 8.500e+08 0.560 0.001 / + PLOG/ 1.000000 2.800e+14 -1.830 0.005 / + PLOG/ 3.160000 2.600e+20 -2.840 7.530 / + PLOG/ 10.000000 9.200e+14 -2.260 0.000 / + PLOG/ 31.600000 6.100e+25 -4.210 13.050 / + PLOG/ 100.000000 1.700e+30 -5.350 18.430 / +DUPLICATE +! Reaction index: Chemkin #2538; RMG #276 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>OH(3)+CHCHO(51) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 9.900e+11 -0.660 -0.001 / + PLOG/ 0.100000 6.900e+14 -1.160 4.542 / + PLOG/ 0.316000 2.800e+13 -0.720 3.479 / + PLOG/ 1.000000 5.000e+11 -0.140 1.995 / + PLOG/ 3.160000 2.400e+10 0.230 1.573 / + PLOG/ 10.000000 1.700e+14 -0.820 4.450 / + PLOG/ 31.600000 1.400e+11 0.050 3.774 / + PLOG/ 100.000000 3.200e+11 -0.020 5.338 / +DUPLICATE + + +! Reaction index: Chemkin #2539; RMG #277 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>OH(3)+CH2CO(30) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 8.700e+02 2.410 6.061 / + PLOG/ 0.100000 8.900e+02 2.410 6.078 / + PLOG/ 0.316000 9.400e+02 2.400 6.112 / + PLOG/ 1.000000 1.100e+03 2.390 6.180 / + PLOG/ 3.160000 1.100e+03 2.380 6.179 / + PLOG/ 10.000000 1.400e+03 2.360 6.074 / + PLOG/ 31.600000 2.500e+06 1.420 8.480 / + PLOG/ 100.000000 1.700e+10 0.360 12.010 / +DUPLICATE +! Reaction index: Chemkin #2540; RMG #277 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>OH(3)+CH2CO(30) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.800e-01 3.120 1.331 / + PLOG/ 0.100000 2.100e-01 3.110 1.383 / + PLOG/ 0.316000 2.700e-01 3.080 1.496 / + PLOG/ 1.000000 5.300e-01 3.010 1.777 / + PLOG/ 3.160000 1.400e+00 2.900 2.225 / + PLOG/ 10.000000 4.200e-01 2.930 2.052 / + PLOG/ 31.600000 1.200e-04 4.210 2.043 / + PLOG/ 100.000000 1.300e-03 3.970 3.414 / +DUPLICATE + + +! Reaction index: Chemkin #2541; RMG #278 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>O(16)+CH2CHO(45) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 7.200e+20 -2.670 6.742 / + PLOG/ 0.100000 7.000e+20 -2.670 6.713 / + PLOG/ 0.316000 9.000e+20 -2.700 6.724 / + PLOG/ 1.000000 6.500e+20 -2.650 6.489 / + PLOG/ 3.160000 4.100e+20 -2.530 6.406 / + PLOG/ 10.000000 1.600e+23 -3.220 8.697 / + PLOG/ 31.600000 2.900e+25 -3.770 11.530 / + PLOG/ 100.000000 9.300e+25 -3.800 13.910 / +DUPLICATE +! Reaction index: Chemkin #2542; RMG #278 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>O(16)+CH2CHO(45) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.200e+10 0.620 -0.278 / + PLOG/ 0.100000 1.300e+10 0.620 -0.248 / + PLOG/ 0.316000 1.500e+10 0.600 -0.163 / + PLOG/ 1.000000 1.800e+10 0.580 0.038 / + PLOG/ 3.160000 8.900e+09 0.670 0.248 / + PLOG/ 10.000000 6.700e+09 0.720 0.778 / + PLOG/ 31.600000 1.400e+09 0.920 1.219 / + PLOG/ 100.000000 7.100e+07 1.280 1.401 / +DUPLICATE + + +! Reaction index: Chemkin #2543; RMG #279 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>HO2(4)+C2H2(34) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.100e+07 1.280 3.322 / + PLOG/ 0.100000 7.800e+06 1.330 3.216 / + PLOG/ 0.316000 1.200e+07 1.270 3.311 / + PLOG/ 1.000000 2.200e+07 1.190 3.367 / + PLOG/ 3.160000 1.100e+08 1.000 3.695 / + PLOG/ 10.000000 1.300e+11 0.120 5.872 / + PLOG/ 31.600000 1.200e+09 0.820 5.617 / + PLOG/ 100.000000 1.100e+17 -1.450 12.230 / +DUPLICATE +! Reaction index: Chemkin #2544; RMG #279 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>HO2(4)+C2H2(34) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 4.800e+01 2.750 -0.796 / + PLOG/ 0.100000 5.200e+01 2.730 -0.768 / + PLOG/ 0.316000 5.600e+01 2.730 -0.659 / + PLOG/ 1.000000 4.600e+01 2.760 -0.493 / + PLOG/ 3.160000 3.800e+00 3.070 -0.601 / + PLOG/ 10.000000 5.500e+00 3.070 0.086 / + PLOG/ 31.600000 4.500e+08 0.000 0.955 / + PLOG/ 100.000000 2.000e+01 2.940 1.847 / +DUPLICATE + + +! Reaction index: Chemkin #2545; RMG #280 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>H(5)+OCHCHO(52) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 4.800e+14 -1.030 0.912 / + PLOG/ 0.100000 5.000e+14 -1.040 0.923 / + PLOG/ 0.316000 6.400e+14 -1.070 0.983 / + PLOG/ 1.000000 3.700e+15 -1.290 1.441 / + PLOG/ 3.160000 2.400e+18 -2.130 3.234 / + PLOG/ 10.000000 1.300e+15 -1.090 2.393 / + PLOG/ 31.600000 3.600e+33 -6.500 14.910 / + PLOG/ 100.000000 3.300e+31 -5.760 16.250 / +DUPLICATE +! Reaction index: Chemkin #2546; RMG #280 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>H(5)+OCHCHO(52) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.800e-04 4.040 -7.019 / + PLOG/ 0.100000 3.500e-04 4.010 -6.978 / + PLOG/ 0.316000 9.700e-04 3.890 -6.768 / + PLOG/ 1.000000 5.000e-01 3.150 -5.496 / + PLOG/ 3.160000 1.300e+05 1.670 -2.931 / + PLOG/ 10.000000 4.500e+15 -3.080 -4.836 / + PLOG/ 31.600000 3.800e+10 0.220 0.941 / + PLOG/ 100.000000 2.800e+08 0.830 0.858 / +DUPLICATE + + +! Reaction index: Chemkin #2547; RMG #281 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>HCO(13)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.400e+36 -7.600 12.610 / + PLOG/ 0.100000 2.600e+15 -1.280 0.513 / + PLOG/ 0.316000 2.200e+36 -7.570 12.490 / + PLOG/ 1.000000 3.000e+35 -7.320 11.820 / + PLOG/ 3.160000 1.600e+36 -7.470 12.460 / + PLOG/ 10.000000 5.800e+35 -7.200 13.430 / + PLOG/ 31.600000 3.500e+20 -2.570 5.578 / + PLOG/ 100.000000 3.000e+33 -6.280 16.000 / +DUPLICATE +! Reaction index: Chemkin #2548; RMG #281 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>HCO(13)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.400e+36 -7.600 12.610 / + PLOG/ 0.100000 2.500e+15 -1.280 0.513 / + PLOG/ 0.316000 5.300e+15 -1.290 0.521 / + PLOG/ 1.000000 6.800e+15 -1.310 0.646 / + PLOG/ 3.160000 1.100e+16 -1.360 1.066 / + PLOG/ 10.000000 2.800e+15 -1.180 1.429 / + PLOG/ 31.600000 1.100e+69 -19.230 14.760 / + PLOG/ 100.000000 4.700e+10 0.190 0.831 / +DUPLICATE + + +! Reaction index: Chemkin #2549; RMG #282 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>H(5)+CO(8)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 6.500e+36 -7.600 12.640 / + PLOG/ 0.100000 6.300e+36 -7.600 12.610 / + PLOG/ 0.316000 5.100e+36 -7.570 12.490 / + PLOG/ 1.000000 7.100e+35 -7.320 11.820 / + PLOG/ 3.160000 3.700e+36 -7.470 12.460 / + PLOG/ 10.000000 1.300e+36 -7.200 13.430 / + PLOG/ 31.600000 8.300e+20 -2.570 5.578 / + PLOG/ 100.000000 7.100e+33 -6.280 16.000 / +DUPLICATE +! Reaction index: Chemkin #2550; RMG #282 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>H(5)+CO(8)+CH2O(12) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.200e+16 -1.280 0.515 / + PLOG/ 0.100000 1.200e+16 -1.280 0.513 / + PLOG/ 0.316000 1.300e+16 -1.290 0.521 / + PLOG/ 1.000000 1.600e+16 -1.310 0.646 / + PLOG/ 3.160000 2.400e+16 -1.360 1.066 / + PLOG/ 10.000000 6.600e+15 -1.180 1.429 / + PLOG/ 31.600000 2.700e+69 -19.230 14.760 / + PLOG/ 100.000000 1.100e+11 0.190 0.831 / +DUPLICATE + + +! Reaction index: Chemkin #2551; RMG #283 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>CO(8)+CH3O(27) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 8.200e+18 -2.660 3.201 / + PLOG/ 0.100000 4.100e+14 -1.320 0.886 / + PLOG/ 0.316000 4.300e+14 -1.330 0.901 / + PLOG/ 1.000000 1.000e+11 -0.330 -0.748 / + PLOG/ 3.160000 1.900e+12 -3.000 -8.995 / + PLOG/ 10.000000 1.900e+24 -5.630 0.002 / + PLOG/ 31.600000 1.100e+18 -2.220 5.178 / + PLOG/ 100.000000 5.800e+32 -6.450 16.810 / +DUPLICATE +! Reaction index: Chemkin #2552; RMG #283 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>CO(8)+CH3O(27) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 1.300e+09 0.180 -1.717 / + PLOG/ 0.100000 6.000e+11 -2.930 -9.564 / + PLOG/ 0.316000 2.900e+11 -2.930 -10.120 / + PLOG/ 1.000000 5.800e+21 -3.540 4.772 / + PLOG/ 3.160000 5.000e+15 -1.620 1.849 / + PLOG/ 10.000000 9.300e+16 -1.960 3.324 / + PLOG/ 31.600000 1.000e+72 -20.690 15.860 / + PLOG/ 100.000000 1.100e+09 0.310 1.024 / +DUPLICATE + + +! Reaction index: Chemkin #2553; RMG #284 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>CO2(9)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 2.400e+35 -7.760 12.630 / + PLOG/ 0.100000 1.700e+35 -7.720 12.520 / + PLOG/ 0.316000 4.500e+34 -7.550 12.140 / + PLOG/ 1.000000 7.300e+31 -6.700 10.440 / + PLOG/ 3.160000 3.600e+35 -7.750 12.830 / + PLOG/ 10.000000 2.100e+35 -7.530 14.050 / + PLOG/ 31.600000 3.800e+18 -2.440 5.408 / + PLOG/ 100.000000 1.200e+32 -6.320 16.190 / +DUPLICATE +! Reaction index: Chemkin #2554; RMG #284 +! Library reaction: NOx2018 +O2(2)+C2H3(32)<=>CO2(9)+CH3(7) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 6.300e+13 -1.160 0.406 / + PLOG/ 0.100000 6.200e+13 -1.160 0.401 / + PLOG/ 0.316000 6.100e+13 -1.160 0.397 / + PLOG/ 1.000000 5.300e+13 -1.140 0.447 / + PLOG/ 3.160000 1.500e+14 -1.260 0.988 / + PLOG/ 10.000000 5.000e+13 -1.110 1.409 / + PLOG/ 31.600000 1.400e+70 -20.110 15.430 / + PLOG/ 100.000000 9.200e+08 0.250 0.855 / +DUPLICATE + + +! Reaction index: Chemkin #2555; RMG #285 +! Library reaction: NOx2018 +CH2O(12)+C2H3(32)<=>HCO(13)+C2H4(24) 1.000e+00 0.000 0.000 + PLOG/ 0.001000 1.100e+07 1.090 1.807 / + PLOG/ 0.010000 2.500e+07 0.993 1.995 / + PLOG/ 0.100000 2.500e+08 0.704 2.596 / + PLOG/ 1.000000 1.400e+10 0.209 3.934 / + PLOG/ 10.000000 3.500e+13 -0.726 6.944 / + PLOG/ 100.000000 3.300e+14 -0.866 10.966 / + PLOG/ 1000.000000 1.700e+01 3.170 9.400 / +DUPLICATE +! Reaction index: Chemkin #2556; RMG #285 +! Library reaction: NOx2018 +CH2O(12)+C2H3(32)<=>HCO(13)+C2H4(24) 1.000e+00 0.000 0.000 + PLOG/ 0.001000 -2.300e+16 -1.269 20.617 / + PLOG/ 0.010000 -5.200e+16 -1.366 20.805 / + PLOG/ 0.100000 -1.500e+18 -1.769 22.524 / + PLOG/ 1.000000 -8.500e+19 -2.264 23.862 / + PLOG/ 10.000000 -4.400e+23 -3.278 27.795 / + PLOG/ 100.000000 -4.200e+24 -3.418 31.817 / + PLOG/ 1000.000000 -2.100e+11 0.618 30.251 / +DUPLICATE + + +! Reaction index: Chemkin #2557; RMG #286 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), C2H4(24); CH2O(12), H(5); CH2O(12), CO(8); +CH2O(12)+C2H3(32)<=>H(5)+CO(8)+C2H4(24) 1.000e+00 0.000 0.000 + PLOG/ 0.001000 2.300e+16 -1.269 20.617 / + PLOG/ 0.010000 5.200e+16 -1.366 20.805 / + PLOG/ 0.100000 1.500e+18 -1.769 22.524 / + PLOG/ 1.000000 8.500e+19 -2.264 23.862 / + PLOG/ 10.000000 4.400e+23 -3.278 27.795 / + PLOG/ 100.000000 4.200e+24 -3.418 31.817 / + PLOG/ 1000.000000 2.100e+11 0.618 30.251 / + +! Reaction index: Chemkin #2558; RMG #287 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), C2H4(24); HCO(13), CO(8); +HCO(13)+C2H3(32)<=>CO(8)+C2H4(24) 9.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2559; RMG #288 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), C2H2(34); CH3(7), CH4(20); +CH3(7)+C2H3(32)<=>CH4(20)+C2H2(34) 9.000000e+12 0.000 -0.765 + +! Reaction index: Chemkin #2560; RMG #289 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), C2H2(34); CH(23), CH2(21); +CH(23)+C2H3(32)<=>CH2(21)+C2H2(34) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2561; RMG #290 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), C2H4(24); CH3OH(25), CH3O(27); +CH3OH(25)+C2H3(32)<=>CH3O(27)+C2H4(24) 1.000000e+06 1.510 26.630 + +! Reaction index: Chemkin #2562; RMG #291 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), C2H4(24); CH3OH(25), CH2OH(26); +CH3OH(25)+C2H3(32)<=>CH2OH(26)+C2H4(24) 1.800000e-02 4.020 23.370 + +! Reaction index: Chemkin #2563; RMG #292 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), C2H4(24); C2H3(32), C2H2(34); +C2H3(32)+C2H3(32)<=>C2H2(34)+C2H4(24) 1.500000e+13 0.000 0.000 + +! Reaction index: Chemkin #2564; RMG #399 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH2CHO(45); C2H3(32), C2H4(24); +C2H3(32)+CH3CHO(40)<=>CH2CHO(45)+C2H4(24) 2.000000e-01 3.960 25.990 + +! Reaction index: Chemkin #2565; RMG #400 +! Library reaction: NOx2018 +! Flux pairs: CH3CHO(40), CH3CO(47); C2H3(32), C2H4(24); +C2H3(32)+CH3CHO(40)<=>CH3CO(47)+C2H4(24) 1.600000e-01 3.620 16.810 + +! Reaction index: Chemkin #2566; RMG #469 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), C2H3(32); CH(23), HCO(13); +CH(23)+CH2CHO(45)<=>HCO(13)+C2H3(32) 1.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #2567; RMG #470 +! Library reaction: NOx2018 +! Flux pairs: CH2CHO(45), C2H3(32); CH(23), H(5); CH(23), CO(8); +CH(23)+CH2CHO(45)<=>H(5)+CO(8)+C2H3(32) 6.000000e+23 -2.473 19.927 + +! Reaction index: Chemkin #2568; RMG #498 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), C2H3(32); CH2(21), CO(8); +CH2(21)+HCCO(53)<=>CO(8)+C2H3(32) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2569; RMG #666 +! Library reaction: CurranPentane +! Flux pairs: C2H2(34), C2H3(32); HCO(13), CO(8); +HCO(13)+C2H2(34)<=>CO(8)+C2H3(32) 1.000000e+07 2.000 6.000 + +! Reaction index: Chemkin #2570; RMG #3388 +! Library reaction: C2H4+O_Klipp2017 +! Flux pairs: C2H4(24), C2H3(32); O(16), OH(3); +O(16)+C2H4(24)<=>OH(3)+C2H3(32) 1.000000e+07 0.000 0.000 + +! Reaction index: Chemkin #2571; RMG #3416 +! Library reaction: FFCM1(-) +! Flux pairs: CH2CO(30), C2H3(32); CH(23), CO(8); +CH(23)+CH2CO(30)<=>CO(8)+C2H3(32) 1.450000e+14 0.000 0.000 + +! Reaction index: Chemkin #2572; RMG #3417 +! Library reaction: FFCM1(-) +! Flux pairs: C2H3(32), HCO(13); OH(3), CH3(7); +OH(3)+C2H3(32)<=>HCO(13)+CH3(7) 6.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #2573; RMG #3418 +! Library reaction: FFCM1(-) +! Flux pairs: C2H3(32), CH3CO(47); OH(3), H(5); +OH(3)+C2H3(32)<=>H(5)+CH3CO(47) 3.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #2574; RMG #6352 +! PDep reaction: PDepNetwork #5 +! Flux pairs: cC2H3O(61), O(16); cC2H3O(61), C2H3(32); +cC2H3O(61)(+M)<=>O(16)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.048e+01 1.437e+00 -3.455e-02 -8.018e-03 / + CHEB/ 3.033e+01 -1.348e-01 -5.239e-02 -1.033e-02 / + CHEB/ -2.802e-01 -6.567e-02 -1.902e-02 -2.942e-05 / + CHEB/ -3.492e-01 -6.481e-03 6.490e-03 5.878e-03 / + CHEB/ -2.337e-01 2.085e-02 1.442e-02 5.235e-03 / + CHEB/ -8.239e-02 2.145e-02 9.905e-03 1.476e-03 / + +! Reaction index: Chemkin #2575; RMG #6359 +! PDep reaction: PDepNetwork #6 +! Flux pairs: CH3CO(47), O(16); CH3CO(47), C2H3(32); +CH3CO(47)(+M)<=>O(16)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.718e+01 1.520e+00 -4.071e-04 -1.939e-04 / + CHEB/ 4.531e+01 -1.647e-04 -1.016e-04 -4.832e-05 / + CHEB/ 6.286e-01 -2.279e-04 -1.406e-04 -6.687e-05 / + CHEB/ 2.098e-01 -2.425e-04 -1.496e-04 -7.117e-05 / + CHEB/ 4.058e-02 -1.585e-04 -9.780e-05 -4.651e-05 / + CHEB/ 1.256e-02 -8.736e-05 -5.386e-05 -2.559e-05 / + +! Reaction index: Chemkin #2576; RMG #6366 +! PDep reaction: PDepNetwork #71 +! Flux pairs: CO(8), C2H3(32); CH3(7), O(16); +CO(8)+CH3(7)(+M)<=>O(16)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.124e+01 -6.501e-04 -4.013e-04 -1.911e-04 / + CHEB/ 4.143e+01 -1.480e-04 -9.130e-05 -4.342e-05 / + CHEB/ 4.504e-01 -2.146e-04 -1.324e-04 -6.300e-05 / + CHEB/ 1.062e-01 -2.324e-04 -1.434e-04 -6.822e-05 / + CHEB/ -1.904e-02 -1.512e-04 -9.327e-05 -4.436e-05 / + CHEB/ -2.072e-02 -8.233e-05 -5.076e-05 -2.412e-05 / + +! Reaction index: Chemkin #2577; RMG #6377 +! PDep reaction: PDepNetwork #235 +! Flux pairs: CH2CHO(45), O(16); CH2CHO(45), C2H3(32); +CH2CHO(45)(+M)<=>O(16)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.282e+01 1.521e+00 -9.604e-05 -4.572e-05 / + CHEB/ 4.243e+01 -2.897e-04 -1.788e-04 -8.511e-05 / + CHEB/ 3.883e-01 -2.363e-04 -1.458e-04 -6.940e-05 / + CHEB/ 9.115e-02 -1.713e-04 -1.057e-04 -5.028e-05 / + CHEB/ -4.261e-03 -1.110e-04 -6.848e-05 -3.257e-05 / + CHEB/ 9.276e-03 -6.378e-05 -3.932e-05 -1.868e-05 / + +! Reaction index: Chemkin #2578; RMG #7120 +! PDep reaction: PDepNetwork #280 +! Flux pairs: C2H3O(1084), O(16); C2H3O(1084), C2H3(32); +C2H3O(1084)(+M)<=>O(16)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.603e+01 1.519e+00 -7.665e-04 -3.648e-04 / + CHEB/ 3.568e+01 1.924e-04 1.187e-04 5.651e-05 / + CHEB/ 7.041e-01 -3.962e-04 -2.443e-04 -1.160e-04 / + CHEB/ 2.307e-01 -3.112e-04 -1.919e-04 -9.118e-05 / + CHEB/ 3.714e-02 -1.889e-04 -1.165e-04 -5.532e-05 / + CHEB/ 8.366e-03 -1.081e-04 -6.661e-05 -3.159e-05 / + +! Reaction index: Chemkin #2579; RMG #7402 +! PDep reaction: PDepNetwork #285 +! Flux pairs: CH2CHOH(48), OH(3); CH2CHOH(48), C2H3(32); +CH2CHOH(48)(+M)<=>OH(3)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.802e+01 6.939e-01 -1.829e-01 1.643e-02 / + CHEB/ 3.426e+01 3.105e-01 3.782e-02 -2.292e-02 / + CHEB/ -4.817e-01 1.707e-01 2.776e-02 -8.091e-03 / + CHEB/ -2.441e-01 6.894e-02 1.754e-02 -2.660e-04 / + CHEB/ -1.251e-01 2.351e-02 8.166e-03 1.289e-03 / + CHEB/ -5.950e-02 3.353e-03 3.217e-03 1.120e-03 / + +! Reaction index: Chemkin #2580; RMG #7650 +! PDep reaction: PDepNetwork #319 +! Flux pairs: CHCHO(51), C2H3(32); H(5), O(16); +H(5)+CHCHO(51)(+M)<=>O(16)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.942e+00 -2.894e-04 -1.785e-04 -8.482e-05 / + CHEB/ 1.570e+01 -4.239e-04 -2.614e-04 -1.242e-04 / + CHEB/ 6.890e-01 -2.098e-04 -1.294e-04 -6.151e-05 / + CHEB/ 1.861e-01 -1.066e-04 -6.573e-05 -3.125e-05 / + CHEB/ 4.226e-03 -8.172e-05 -5.037e-05 -2.392e-05 / + CHEB/ -1.196e-02 -6.449e-05 -3.971e-05 -1.883e-05 / + +! Reaction index: Chemkin #2581; RMG #7685 +! PDep reaction: PDepNetwork #323 +! Flux pairs: CH2CHO(45), C2H3(32); H(5), OH(3); +H(5)+CH2CHO(45)(+M)<=>OH(3)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.832e+00 -7.075e-01 -1.673e-01 1.009e-02 / + CHEB/ 7.495e+00 4.393e-01 6.926e-02 -2.502e-02 / + CHEB/ -8.160e-02 1.873e-01 4.627e-02 -2.548e-03 / + CHEB/ -7.342e-02 4.234e-02 2.180e-02 4.885e-03 / + CHEB/ -5.146e-02 -2.101e-03 5.335e-03 3.358e-03 / + CHEB/ -2.974e-02 -1.041e-02 -5.935e-04 1.250e-03 / + +! Reaction index: Chemkin #2582; RMG #7984 +! PDep reaction: PDepNetwork #338 +! Flux pairs: CHCHOH(55), O(16); CHCHOH(55), C2H3(32); +CHCHOH(55)(+M)<=>O(16)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.533e+01 1.519e+00 -9.517e-04 -4.524e-04 / + CHEB/ 3.522e+01 -1.068e-03 -6.583e-04 -3.124e-04 / + CHEB/ 5.884e-01 -2.607e-04 -1.601e-04 -7.548e-05 / + CHEB/ 1.886e-01 -1.750e-04 -1.075e-04 -5.074e-05 / + CHEB/ 5.078e-02 -2.515e-04 -1.548e-04 -7.330e-05 / + CHEB/ 2.867e-02 -2.206e-04 -1.358e-04 -6.425e-05 / + +! Reaction index: Chemkin #2583; RMG #8574 +! Template reaction: Disproportionation +! Flux pairs: C2H3(32), C2H4(24); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2H3(32)<=>FA(1)+C2H4(24) 6.020000e+13 0.000 0.000 + +! Reaction index: Chemkin #2584; RMG #8575 +! Template reaction: Disproportionation +! Flux pairs: C2H3(32), C2H4(24); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2H3(32)<=>FA(1)+C2H4(24) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2585; RMG #8577 +! Template reaction: Disproportionation +! Flux pairs: C2H3(32), C2H4(24); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +HOCO(10)+C2H3(32)<=>CO2(9)+C2H4(24) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #2586; RMG #8578 +! Template reaction: Disproportionation +! Flux pairs: C2H3(32), C2H4(24); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2H3(32)<=>CO2(9)+C2H4(24) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2587; RMG #8654 +! Template reaction: Disproportionation +! Flux pairs: C2H3(32), C2H4(24); CH2OH(26), CH2O(12); +! Matched reaction 63 CH3O + C2H3-2 <=> C2H4-2 + CH2O in Disproportionation/training +! This reaction matched rate rule [Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C] +! family: Disproportionation +CH2OH(26)+C2H3(32)<=>CH2O(12)+C2H4(24) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #2588; RMG #8655 +! Template reaction: Disproportionation +! Flux pairs: C2H3(32), C2H4(24); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2H3(32)<=>CH2O(12)+C2H4(24) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #2589; RMG #8657 +! Template reaction: Disproportionation +! Flux pairs: C2H3(32), C2H4(24); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2H3(32)<=>CH2O3(1000)+C2H4(24) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #2590; RMG #8658 +! Template reaction: Disproportionation +! Flux pairs: C2H3(32), C2H4(24); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+C2H3(32)<=>CH2O3(1000)+C2H4(24) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2591; RMG #10094 +! PDep reaction: PDepNetwork #410 +! Flux pairs: H(5), [CH]C(1161); C2H3(32), [CH]C(1161); +H(5)+C2H3(32)(+M)<=>[CH]C(1161)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.416e+01 1.998e-04 -1.233e-04 5.846e-05 / + CHEB/ 8.412e-02 3.605e-04 -2.220e-04 1.054e-04 / + CHEB/ 2.031e-02 2.677e-04 -1.649e-04 7.822e-05 / + CHEB/ 6.526e-03 1.656e-04 -1.020e-04 4.831e-05 / + CHEB/ 2.360e-03 8.523e-05 -5.244e-05 2.482e-05 / + CHEB/ 9.140e-04 3.611e-05 -2.220e-05 1.048e-05 / + +! Reaction index: Chemkin #2592; RMG #8686 +! PDep reaction: PDepNetwork #353 +! Flux pairs: HCCOH(54), C2H3(32); H(5), O(16); +H(5)+HCCOH(54)(+M)<=>O(16)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.428e+01 -9.467e-04 -5.842e-04 -2.781e-04 / + CHEB/ 2.123e+01 7.186e-05 4.434e-05 2.109e-05 / + CHEB/ 7.397e-01 -1.774e-04 -1.094e-04 -5.197e-05 / + CHEB/ 2.262e-01 -2.006e-04 -1.238e-04 -5.889e-05 / + CHEB/ 2.088e-02 -1.560e-04 -9.625e-05 -4.576e-05 / + CHEB/ -6.394e-03 -8.700e-05 -5.362e-05 -2.545e-05 / + +! Reaction index: Chemkin #2593; RMG #8687 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), C2H2(34); C2H3(32), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_1CNS->C +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+C2H3(32)<=>FA(1)+C2H2(34) 4.800000e+06 2.000 0.000 + +! Reaction index: Chemkin #2594; RMG #8688 +! Template reaction: Disproportionation +! Flux pairs: C2H3(32), C2H2(34); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+C2H3(32)<=>FA(1)+C2H2(34) 5.780000e+12 0.000 0.000 + +! Reaction index: Chemkin #2595; RMG #8691 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); C2H3(32), C2H2(34); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_1CNS->C +! Multiplied by reaction path degeneracy 2.0 +O(16)+C2H3(32)<=>OH(3)+C2H2(34) 3.400000e+08 1.500 0.000 + +! Reaction index: Chemkin #2596; RMG #8695 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), C2H2(34); C2H3(32), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+C2H3(32)<=>CH2O(12)+C2H2(34) 5.780000e+12 0.000 0.000 + +! Reaction index: Chemkin #2597; RMG #8698 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), C2H2(34); C2H3(32), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_1CNS->C +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+C2H3(32)<=>CH2O3(1000)+C2H2(34) 4.800000e+06 2.000 0.000 + +! Reaction index: Chemkin #2598; RMG #8705 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); CH(23), CH2(S)(22); +! Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;CH_doublet] +! Euclidian distance = 2.0 +! family: H_Abstraction +HO2(4)+CH(23)<=>O2(2)+CH2(S)(22) 4.949747e+10 0.000 -1.637 + +! Reaction index: Chemkin #2599; RMG #8706 +! Template reaction: H_Abstraction +! Flux pairs: CH(23), C(33); O(16), OH(3); +! Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;O_atom_triplet] for rate rule [C_doublet_H;O_atom_triplet] +! Euclidian distance = 2.0 +! family: H_Abstraction +O(16)+CH(23)<=>OH(3)+C(33) 1.340645e+09 1.207 21.279 + +! Reaction index: Chemkin #2600; RMG #487 +! Library reaction: NOx2018 +! Flux pairs: HCCO(53), C2O(57); OH(3), H2O(17); +OH(3)+HCCO(53)<=>H2O(17)+C2O(57) 1.400000e+04 2.650 1.472 + +! Reaction index: Chemkin #2601; RMG #501 +! Library reaction: NOx2018 +! Flux pairs: C2O(57), C(33); C2O(57), CO(8); +C2O(57)+M<=>C(33)+CO(8)+M 2.000e+15 0.000 44.200 + + +! Reaction index: Chemkin #2602; RMG #502 +! Library reaction: NOx2018 +! Flux pairs: C2O(57), CO(8); H(5), CH(23); +H(5)+C2O(57)<=>CO(8)+CH(23) 1.300000e+13 0.000 0.000 + +! Reaction index: Chemkin #2603; RMG #503 +! Library reaction: NOx2018 +! Flux pairs: C2O(57), CO(8); O(16), CO(8); +O(16)+C2O(57)<=>CO(8)+CO(8) 5.200000e+13 0.000 0.000 + +! Reaction index: Chemkin #2604; RMG #504 +! Library reaction: NOx2018 +! Flux pairs: C2O(57), CO(8); OH(3), H(5); OH(3), CO(8); +OH(3)+C2O(57)<=>H(5)+CO(8)+CO(8) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2605; RMG #505 +! Library reaction: NOx2018 +! Flux pairs: C2O(57), CO(8); O2(2), O(16); O2(2), CO(8); +O2(2)+C2O(57)<=>O(16)+CO(8)+CO(8) 1.000000e+13 0.000 2.600 + +! Reaction index: Chemkin #2606; RMG #506 +! Library reaction: NOx2018 +! Flux pairs: C2O(57), CO2(9); O2(2), CO(8); +O2(2)+C2O(57)<=>CO(8)+CO2(9) 1.000000e+13 0.000 2.600 + +! Reaction index: Chemkin #2607; RMG #9148 +! PDep reaction: PDepNetwork #368 +! Flux pairs: C2O(57), C2O2(1002); OH(3), H(5); +OH(3)+C2O(57)(+M)<=>H(5)+C2O2(1002)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.282e+01 -2.030e-06 -1.254e-06 -5.977e-07 / + CHEB/ 4.082e-01 2.780e-06 1.717e-06 8.184e-07 / + CHEB/ 9.907e-02 -8.965e-07 -5.537e-07 -2.640e-07 / + CHEB/ 3.206e-02 1.529e-07 9.443e-08 4.502e-08 / + CHEB/ 1.167e-02 4.542e-08 2.805e-08 1.337e-08 / + CHEB/ 4.532e-03 -1.383e-07 -8.544e-08 -4.073e-08 / + +! Reaction index: Chemkin #2608; RMG #9162 +! PDep reaction: PDepNetwork #372 +! Flux pairs: H(5), HCCO(53); C2O(57), HCCO(53); +H(5)+C2O(57)(+M)<=>HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.225e+01 8.182e-01 -1.836e-01 3.928e-03 / + CHEB/ -6.154e-01 4.221e-01 4.778e-02 -3.335e-02 / + CHEB/ -2.847e-01 1.190e-01 4.353e-02 -1.542e-03 / + CHEB/ -1.282e-01 2.570e-02 1.832e-02 4.924e-03 / + CHEB/ -5.711e-02 2.527e-03 5.151e-03 3.146e-03 / + CHEB/ -2.527e-02 -1.396e-03 7.541e-04 1.197e-03 / + +! Reaction index: Chemkin #2609; RMG #5887 +! Template reaction: CO_Disproportionation +! Flux pairs: C2O(57), HCCO(53); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_N-Sp-5C-4CO +HCO(13)+C2O(57)<=>CO(8)+HCCO(53) 9.033000e+13 0.000 0.000 + +! Reaction index: Chemkin #2610; RMG #5888 +! Template reaction: Disproportionation +! Flux pairs: C2O(57), HCCO(53); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +HOCO(10)+C2O(57)<=>CO2(9)+HCCO(53) 1.210000e+12 0.000 0.000 + +! Reaction index: Chemkin #2611; RMG #5889 +! Template reaction: Disproportionation +! Flux pairs: C2O(57), HCCO(53); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2O(57)<=>CO2(9)+HCCO(53) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #2612; RMG #6417 +! Template reaction: H_Abstraction +! Flux pairs: H(5), H2(6); HCCO(53), C2O(57); +! Estimated using average of templates [Xrad_H;H_rad] + [C_rad_H;Y_rad] for rate rule [C_rad_H;H_rad] +! Euclidian distance = 1.0 +! family: H_Abstraction +H(5)+HCCO(53)<=>H2(6)+C2O(57) 2.771281e+07 1.685 7.755 + +! Reaction index: Chemkin #2613; RMG #9149 +! PDep reaction: PDepNetwork #368 +! Flux pairs: C2O(57), HCO(13); OH(3), CO(8); +OH(3)+C2O(57)(+M)<=>CO(8)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.435e+00 -4.824e-06 -2.979e-06 -1.419e-06 / + CHEB/ -2.241e-01 4.552e-06 2.810e-06 1.339e-06 / + CHEB/ -1.058e-01 -1.783e-06 -1.101e-06 -5.244e-07 / + CHEB/ -6.904e-02 6.827e-08 4.206e-08 1.995e-08 / + CHEB/ -3.993e-02 2.769e-08 1.706e-08 8.093e-09 / + CHEB/ -5.393e-03 -3.275e-07 -2.022e-07 -9.625e-08 / + +! Reaction index: Chemkin #2614; RMG #9145 +! PDep reaction: PDepNetwork #368 +! Flux pairs: OH(3), OCHCO(63); C2O(57), OCHCO(63); +OH(3)+C2O(57)(+M)<=>OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.034e+00 1.521e+00 -2.992e-06 -1.426e-06 / + CHEB/ -4.334e-01 4.541e-06 2.804e-06 1.336e-06 / + CHEB/ 7.847e-02 -1.795e-06 -1.108e-06 -5.279e-07 / + CHEB/ 5.103e-03 6.131e-08 3.776e-08 1.790e-08 / + CHEB/ -2.564e-02 2.351e-08 1.448e-08 6.862e-09 / + CHEB/ 7.970e-03 -3.307e-07 -2.041e-07 -9.719e-08 / + +! Reaction index: Chemkin #2615; RMG #9146 +! PDep reaction: PDepNetwork #368 +! Flux pairs: OH(3), C2HO2(1001); C2O(57), C2HO2(1001); +OH(3)+C2O(57)(+M)<=>C2HO2(1001)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.815e-01 1.519e+00 -8.032e-04 -3.818e-04 / + CHEB/ -7.263e-01 1.211e-03 7.462e-04 3.543e-04 / + CHEB/ -1.211e-01 -3.350e-04 -2.062e-04 -9.760e-05 / + CHEB/ -7.483e-02 6.744e-05 4.149e-05 1.963e-05 / + CHEB/ -6.890e-03 1.899e-05 1.166e-05 5.492e-06 / + CHEB/ 6.918e-02 -1.874e-04 -1.155e-04 -5.484e-05 / + +! Reaction index: Chemkin #2616; RMG #9144 +! PDep reaction: PDepNetwork #368 +! Flux pairs: OH(3), [O]C#CO(1004); C2O(57), [O]C#CO(1004); +OH(3)+C2O(57)(+M)<=>[O]C#CO(1004)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.905e+00 1.521e+00 -1.463e-06 -6.973e-07 / + CHEB/ -7.530e-01 3.026e-06 1.869e-06 8.910e-07 / + CHEB/ -2.031e-01 -8.880e-07 -5.485e-07 -2.615e-07 / + CHEB/ -1.070e-01 1.764e-07 1.089e-07 5.194e-08 / + CHEB/ -4.056e-02 5.410e-08 3.341e-08 1.593e-08 / + CHEB/ 1.729e-02 -1.657e-07 -1.023e-07 -4.878e-08 / + +! Reaction index: Chemkin #2617; RMG #9147 +! PDep reaction: PDepNetwork #368 +! Flux pairs: OH(3), O1[C]2OC12(1049); C2O(57), O1[C]2OC12(1049); +OH(3)+C2O(57)(+M)<=>O1[C]2OC12(1049)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.550e+00 1.511e+00 -5.729e-03 -2.701e-03 / + CHEB/ -3.379e-01 5.145e-03 3.149e-03 1.474e-03 / + CHEB/ 6.035e-02 -1.906e-03 -1.165e-03 -5.445e-04 / + CHEB/ 3.352e-02 -1.485e-03 -9.096e-04 -4.266e-04 / + CHEB/ -1.145e-02 -2.424e-04 -1.487e-04 -6.999e-05 / + CHEB/ -9.263e-03 5.670e-04 3.451e-04 1.598e-04 / + +! Reaction index: Chemkin #2618; RMG #7488 +! Template reaction: Disproportionation +! Flux pairs: C2O(57), HCCO(53); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2O(57)<=>FA(1)+HCCO(53) 2.420000e+12 0.000 0.000 + +! Reaction index: Chemkin #2619; RMG #7489 +! Template reaction: Disproportionation +! Flux pairs: C2O(57), HCCO(53); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2O(57)<=>FA(1)+HCCO(53) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2620; RMG #109 +! Library reaction: NOx2018 +! Flux pairs: O2(2), CH3OO(29); CH3(7), CH3OO(29); +O2(2)+CH3(7)<=>CH3OO(29) 1.000e+00 0.000 0.000 + PLOG/ 0.010000 8.348e+20 -4.000 0.000 / + PLOG/ 1.000000 5.000e+22 -3.850 2.000 / + PLOG/ 10.000000 3.400e+21 -3.200 2.300 / + PLOG/ 20.000000 4.100e+20 -2.940 1.900 / + PLOG/ 20.000000 3.300e+29 -5.600 6.850 / + PLOG/ 50.000000 2.800e+18 -2.200 1.400 / + PLOG/ 50.000000 5.600e+28 -5.250 6.850 / + PLOG/ 100.000000 1.100e+19 -2.300 1.800 / + PLOG/ 100.000000 4.100e+30 -5.700 8.750 / + +! Reaction index: Chemkin #2621; RMG #198 +! Library reaction: NOx2018 +! Flux pairs: CH3OO(29), CH3O(27); H(5), OH(3); +H(5)+CH3OO(29)<=>OH(3)+CH3O(27) 1.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #2622; RMG #199 +! Library reaction: NOx2018 +! Flux pairs: CH3OO(29), CH3O(27); O(16), O2(2); +O(16)+CH3OO(29)<=>O2(2)+CH3O(27) 2.900000e+10 1.000 -0.724 + +! Reaction index: Chemkin #2623; RMG #200 +! Library reaction: NOx2018 +! Flux pairs: CH3OO(29), CH3OH(25); OH(3), O2(2); +OH(3)+CH3OO(29)<=>O2(2)+CH3OH(25) 1.700000e+14 0.000 0.000 + +! Reaction index: Chemkin #2624; RMG #202 +! Library reaction: NOx2018 +! Flux pairs: CH3OO(29), CH3O(27); CH3(7), CH3O(27); +CH3(7)+CH3OO(29)<=>CH3O(27)+CH3O(27) 5.100000e+12 0.000 -1.411 + +! Reaction index: Chemkin #2625; RMG #205 +! Library reaction: NOx2018 +! Flux pairs: CH3OO(29), CO2(9); HCO(13), H(5); HCO(13), CH3O(27); +HCO(13)+CH3OO(29)<=>H(5)+CO2(9)+CH3O(27) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2626; RMG #206 +! Library reaction: NOx2018 +! Flux pairs: CH3OO(29), CO2(9); CO(8), CH3O(27); +CO(8)+CH3OO(29)<=>CO2(9)+CH3O(27) 1.600000e+05 2.180 17.940 + +! Reaction index: Chemkin #2627; RMG #211 +! Library reaction: NOx2018 +CH3OO(29)+CH3OO(29)<=>O2(2)+CH3O(27)+CH3O(27) 1.100000e+18 -2.400 1.800 +DUPLICATE +! Reaction index: Chemkin #2628; RMG #211 +! Library reaction: NOx2018 +CH3OO(29)+CH3OO(29)<=>O2(2)+CH3O(27)+CH3O(27) 7.000000e+10 0.000 0.800 +DUPLICATE + + +! Reaction index: Chemkin #2629; RMG #212 +! Library reaction: NOx2018 +! Flux pairs: CH3OO(29), CH3OH(25); CH3OO(29), O2(2); CH3OO(29), CH2O(12); +CH3OO(29)+CH3OO(29)<=>O2(2)+CH2O(12)+CH3OH(25) 2.000000e+11 -0.550 -1.600 + +! Reaction index: Chemkin #2630; RMG #454 +! Library reaction: NOx2018 +! Flux pairs: CH3CO(47), CO2(9); CH3OO(29), CH3(7); CH3OO(29), CH3O(27); +CH3OO(29)+CH3CO(47)<=>CO2(9)+CH3(7)+CH3O(27) 2.400000e+13 0.000 0.000 + +! Reaction index: Chemkin #2631; RMG #4336 +! PDep reaction: PDepNetwork #23 +! Flux pairs: FA(1), CH3OO(29); CH2O(12), HCO(13); +CH2O(12)+FA(1)(+M)<=>HCO(13)+CH3OO(29)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.163e+01 -3.277e-02 -1.940e-02 -8.514e-03 / + CHEB/ 4.242e+01 -9.930e-03 -5.264e-03 -1.791e-03 / + CHEB/ -3.462e-02 -2.197e-03 -8.971e-04 -6.606e-05 / + CHEB/ -2.099e-02 -5.091e-03 -2.769e-03 -1.019e-03 / + CHEB/ -1.094e-02 -3.450e-03 -1.896e-03 -7.157e-04 / + CHEB/ -1.984e-03 -3.719e-04 -1.668e-04 -3.448e-05 / + +! Reaction index: Chemkin #2632; RMG #4445 +! Template reaction: intra_H_migration +! Flux pairs: CH3OO(29), CH2OOH(37); +! Matched reaction 240 CH3O2 <=> CH3O2-2 in intra_H_migration/training +! This reaction matched rate rule [R3H_SS_O;C_rad_out_2H;O_H_out] +! family: intra_H_migration +CH3OO(29)<=>CH2OOH(37) 4.710000e+08 1.450 42.270 + +! Reaction index: Chemkin #2633; RMG #252 +! Library reaction: NOx2018 +! Flux pairs: C2H4(24), H2(6); C2H4(24), H2CC(46); +C2H4(24)(+M)<=>H2(6)+H2CC(46)(+M) 8.000e+12 0.440 88.800 +H2O(17)/6.00/ Ar(14)/0.70/ + LOW/ 7.000e+50 -9.310 99.900 / + TROE/ 7.350e-01 180 1.04e+03 5.42e+03 / + +! Reaction index: Chemkin #2634; RMG #295 +! Library reaction: NOx2018 +! Flux pairs: C2H2(34), H2CC(46); +! Reaction library: 'NOx2018' +C2H2(34)(+M)<=>H2CC(46)(+M) 1.800e+04 3.510 43.682 + + LOW/ 2.500e+15 -0.640 49.700 / + TROE/ 5.000e-01 1e-30 1e+30 / + +! Reaction index: Chemkin #2635; RMG #316 +! Library reaction: NOx2018 +! Flux pairs: H2CC(46), C2H2(34); H(5), H(5); +H(5)+H2CC(46)<=>H(5)+C2H2(34) 1.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #2636; RMG #317 +! Library reaction: NOx2018 +! Flux pairs: H2CC(46), CH2CO(30); OH(3), H(5); +OH(3)+H2CC(46)<=>H(5)+CH2CO(30) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2637; RMG #318 +! Library reaction: NOx2018 +! Flux pairs: H2CC(46), CO2(9); O2(2), CH2(21); +O2(2)+H2CC(46)<=>CO2(9)+CH2(21) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2638; RMG #664 +! Library reaction: CurranPentane +! Flux pairs: C2H3(32), H2CC(46); H(5), H2(6); +H(5)+C2H3(32)<=>H2(6)+H2CC(46) 6.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2639; RMG #669 +! Library reaction: CurranPentane +! Flux pairs: H2CC(46), HCO(13); O2(2), HCO(13); +O2(2)+H2CC(46)<=>HCO(13)+HCO(13) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2640; RMG #3397 +! Library reaction: FFCM1(-) +! Flux pairs: CH2(21), H2CC(46); CH2(21), H2(6); +CH2(21)+CH2(21)<=>H2(6)+H2CC(46) 1.600000e+15 0.000 11.944 + +! Reaction index: Chemkin #2641; RMG #3447 +! Library reaction: C2H2_init +! Flux pairs: C2H2(34), H2CC(46); C2H2(34), C2H2(34); +C2H2(34)+C2H2(34)<=>C2H2(34)+H2CC(46) 1.000e+00 0.000 0.000 + PLOG/ 0.000987 6.820e-05 -6.270 -37.920 / + PLOG/ 0.000987 2.420e+32 -5.800 62.710 / + PLOG/ 0.009869 3.770e+38 -7.430 69.840 / + PLOG/ 0.009869 7.900e+61 -15.700 71.100 / + PLOG/ 0.098690 7.530e+47 -9.870 82.050 / + PLOG/ 0.098690 7.040e+30 -5.500 65.230 / + PLOG/ 0.986900 6.670e+45 -9.130 85.990 / + PLOG/ 0.986900 1.360e+36 -7.240 69.320 / + PLOG/ 9.869000 2.030e+37 -6.640 86.010 / + PLOG/ 9.869000 4.400e+28 -5.040 69.240 / + PLOG/ 98.690000 2.960e+23 -2.760 81.230 / + PLOG/ 98.690000 3.690e+14 -0.950 66.540 / + +! Reaction index: Chemkin #2642; RMG #8715 +! PDep reaction: PDepNetwork #362 +! Flux pairs: CH3OO(29), HO2(4); CH3OO(29), CH2(S)(22); +CH3OO(29)(+M)<=>HO2(4)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.881e+01 1.483e+00 -2.252e-02 -9.945e-03 / + CHEB/ 3.201e+01 3.388e-02 1.985e-02 8.494e-03 / + CHEB/ -2.926e-01 4.323e-04 4.840e-04 4.189e-04 / + CHEB/ -1.570e-01 2.816e-04 1.660e-04 7.407e-05 / + CHEB/ -6.659e-02 -1.138e-04 -7.743e-05 -4.282e-05 / + CHEB/ -1.999e-02 -1.039e-03 -5.964e-04 -2.439e-04 / + +! Reaction index: Chemkin #2643; RMG #9167 +! PDep reaction: PDepNetwork #377 +! Flux pairs: O(16), CH3OO(29); CH3O(27), CH3OO(29); +O(16)+CH3O(27)(+M)<=>CH3OO(29)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.245e+01 2.989e-01 -4.267e-02 2.715e-03 / + CHEB/ -2.279e-01 4.709e-01 -4.661e-02 -2.580e-03 / + CHEB/ -3.241e-01 2.529e-01 5.417e-04 -6.178e-03 / + CHEB/ -2.032e-01 9.534e-02 1.547e-02 -2.294e-03 / + CHEB/ -1.031e-01 2.226e-02 1.040e-02 1.020e-03 / + CHEB/ -4.634e-02 1.833e-04 3.198e-03 1.300e-03 / + +! Reaction index: Chemkin #2644; RMG #754 +! Library reaction: CurranPentane +! Flux pairs: OCHO(11), OCH2OCHO(93); CH2O(12), OCH2OCHO(93); +OCHO(11)+CH2O(12)<=>OCH2OCHO(93) 1.250000e+11 0.000 11.900 + +! Reaction index: Chemkin #2645; RMG #755 +! Library reaction: CurranPentane +! Flux pairs: OCH2OCHO(93), HOCH2OCO(96); +OCH2OCHO(93)<=>HOCH2OCO(96) 1.000000e+11 0.000 14.000 + +! Reaction index: Chemkin #2646; RMG #4544 +! PDep reaction: PDepNetwork #24 +! Flux pairs: FA(1), OCH2OCHO(93); CH2O(12), H(5); +CH2O(12)+FA(1)(+M)<=>H(5)+OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.524e+01 -1.072e+00 -9.514e-02 1.299e-02 / + CHEB/ 2.889e+01 5.875e-01 -5.788e-02 -1.497e-02 / + CHEB/ 1.127e-01 2.633e-01 2.118e-02 -1.804e-02 / + CHEB/ -9.971e-02 5.917e-02 3.524e-02 -4.864e-03 / + CHEB/ -9.896e-02 -2.045e-02 1.854e-02 4.468e-03 / + CHEB/ -4.988e-02 -2.881e-02 1.970e-03 5.296e-03 / + +! Reaction index: Chemkin #2647; RMG #5376 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +H(5)+OCH2OCHO(93)<=>H2(6)+C2H2O3(976) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2648; RMG #5381 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OH(3)+OCH2OCHO(93)<=>H2O(17)+C2H2O3(976) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2649; RMG #5663 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+OCH2OCHO(93)<=>FA(1)+C2H2O3(976) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #2650; RMG #5665 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+OCH2OCHO(93)<=>FA(1)+C2H2O3(976) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2651; RMG #5678 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+OCH2OCHO(93)<=>CH2O3(1000)+C2H2O3(976) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #2652; RMG #9113 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), HCO(13); OCH2OCHO(93), FA(1); +OCH2OCHO(93)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.517e+00 7.550e-01 -2.162e-01 -1.891e-02 / + CHEB/ 9.362e+00 7.454e-01 1.816e-01 1.029e-03 / + CHEB/ -2.568e-01 -1.557e-02 1.078e-02 9.212e-03 / + CHEB/ 5.722e-03 -1.316e-02 -3.790e-03 -2.744e-03 / + CHEB/ 4.598e-02 -2.402e-02 -4.617e-03 1.182e-03 / + CHEB/ 3.381e-02 3.117e-03 2.130e-04 2.033e-04 / + +! Reaction index: Chemkin #2653; RMG #5775 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+OCH2OCHO(93)<=>CH2O(12)+C2H2O3(976) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2654; RMG #5779 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3O(27)+OCH2OCHO(93)<=>CH3OH(25)+C2H2O3(976) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2655; RMG #5781 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+OCH2OCHO(93)<=>CH3OH(25)+C2H2O3(976) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2656; RMG #5789 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O(16)+OCH2OCHO(93)<=>OH(3)+C2H2O3(976) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2657; RMG #5936 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HO2(4)+OCH2OCHO(93)<=>H2O2(18)+C2H2O3(976) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2658; RMG #5944 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); CHO4(989), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO4(989)+OCH2OCHO(93)<=>CH2O4(1005)+C2H2O3(976) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #2659; RMG #5946 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); CHO4(985), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(985)+OCH2OCHO(93)<=>CH2O4(1005)+C2H2O3(976) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2660; RMG #6015 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH3(7)+OCH2OCHO(93)<=>CH4(20)+C2H2O3(976) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2661; RMG #6022 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+OCH2OCHO(93)<=>OCO(1022)+C2H2O3(976) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2662; RMG #6023 +! Template reaction: Disproportionation +! Flux pairs: OCH2OCHO(93), C2H2O3(976); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+OCH2OCHO(93)<=>OCO(1022)+C2H2O3(976) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #2663; RMG #6203 +! PDep reaction: PDepNetwork #186 +! Flux pairs: H(5), OCH2OCHO(93); C2H2O3(976), OCH2OCHO(93); +H(5)+C2H2O3(976)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.041e+01 5.923e-01 -6.504e-02 1.744e-03 / + CHEB/ 6.092e-01 6.711e-01 -7.490e-03 -1.091e-02 / + CHEB/ -3.834e-01 1.776e-01 2.979e-02 -1.534e-03 / + CHEB/ -8.283e-02 3.816e-05 9.940e-03 2.500e-03 / + CHEB/ 2.271e-02 -1.978e-02 -1.448e-03 5.802e-04 / + CHEB/ 2.891e-02 -6.581e-03 -1.627e-03 -3.951e-04 / + +! Reaction index: Chemkin #2664; RMG #9112 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), CO(8); OCH2OCHO(93), O[CH]O(970); +OCH2OCHO(93)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.071e+01 5.159e-01 -3.288e-01 -6.069e-02 / + CHEB/ 1.362e+01 1.033e+00 2.550e-01 1.768e-02 / + CHEB/ 4.554e-01 -1.058e-01 2.090e-02 9.832e-03 / + CHEB/ 1.428e-01 -2.535e-02 3.788e-05 1.060e-02 / + CHEB/ 1.130e-01 -7.411e-03 -5.840e-03 1.149e-03 / + CHEB/ 4.140e-02 1.600e-02 2.974e-03 -1.968e-03 / + +! Reaction index: Chemkin #2665; RMG #8786 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), C2H3O3(1011); +OCH2OCHO(93)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.040e+00 2.205e+00 -2.263e-01 -1.652e-02 / + CHEB/ 8.280e+00 7.327e-01 1.718e-01 -1.196e-03 / + CHEB/ -2.630e-01 8.292e-03 1.423e-02 8.132e-03 / + CHEB/ -2.510e-03 4.576e-04 7.559e-05 -2.870e-03 / + CHEB/ 5.890e-02 -1.870e-02 -2.524e-03 1.384e-03 / + CHEB/ -4.415e-03 5.348e-03 8.300e-04 3.328e-04 / + +! Reaction index: Chemkin #2666; RMG #8720 +! PDep reaction: PDepNetwork #51 +! Flux pairs: FA(1), CO2(9); HCO(13), CH3O(27); +HCO(13)+FA(1)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.274e+01 -2.425e-02 -1.454e-02 -6.545e-03 / + CHEB/ 2.355e+01 2.893e-02 1.721e-02 7.611e-03 / + CHEB/ 4.529e-01 -1.125e-02 -6.539e-03 -2.744e-03 / + CHEB/ 2.326e-01 1.855e-03 9.576e-04 2.905e-04 / + CHEB/ 5.817e-02 -1.246e-03 -6.993e-04 -2.732e-04 / + CHEB/ 4.003e-02 4.217e-04 2.468e-04 1.049e-04 / + +! Reaction index: Chemkin #2667; RMG #8721 +! PDep reaction: PDepNetwork #51 +! Flux pairs: FA(1), CH2OCHO(97); HCO(13), O(16); +HCO(13)+FA(1)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.350e+01 -2.857e-03 -1.747e-03 -8.210e-04 / + CHEB/ 3.475e+01 2.402e-03 1.467e-03 6.887e-04 / + CHEB/ 3.890e-01 -9.982e-04 -6.160e-04 -2.935e-04 / + CHEB/ 2.173e-01 -1.180e-04 -7.255e-05 -3.465e-05 / + CHEB/ 2.783e-02 -1.221e-04 -7.360e-05 -3.377e-05 / + CHEB/ 2.490e-02 2.972e-05 1.871e-05 9.336e-06 / + +! Reaction index: Chemkin #2668; RMG #8725 +! PDep reaction: PDepNetwork #82 +! Flux pairs: O[CH]O(970), CO2(9); CO(8), CH3O(27); +CO(8)+O[CH]O(970)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.343e+01 -4.029e-01 -1.799e-01 -4.212e-02 / + CHEB/ 2.369e+01 3.460e-01 1.395e-01 2.217e-02 / + CHEB/ 1.211e+00 8.179e-02 4.710e-02 1.705e-02 / + CHEB/ 4.055e-01 -3.796e-03 2.866e-03 4.922e-03 / + CHEB/ 2.447e-01 -3.213e-02 -1.455e-02 -3.390e-03 / + CHEB/ 1.596e-01 -4.154e-03 -3.701e-03 -2.327e-03 / + +! Reaction index: Chemkin #2669; RMG #8726 +! PDep reaction: PDepNetwork #82 +! Flux pairs: O[CH]O(970), CH2OCHO(97); CO(8), O(16); +CO(8)+O[CH]O(970)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.457e+01 -8.988e-02 -4.985e-02 -1.906e-02 / + CHEB/ 3.329e+01 1.105e-01 5.940e-02 2.105e-02 / + CHEB/ 8.380e-01 -2.490e-02 -1.111e-02 -1.940e-03 / + CHEB/ 3.636e-01 1.514e-03 -3.152e-04 -1.033e-03 / + CHEB/ 1.627e-01 -8.073e-04 -2.247e-04 5.356e-05 / + CHEB/ 6.747e-02 1.222e-03 6.937e-04 2.891e-04 / + +! Reaction index: Chemkin #2670; RMG #8781 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), CO2(9); OCH2OCHO(93), CH3O(27); +OCH2OCHO(93)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.072e+01 1.519e+00 -1.329e-03 -6.311e-04 / + CHEB/ 2.240e+01 7.690e-04 4.741e-04 2.252e-04 / + CHEB/ 1.736e-01 -2.336e-04 -1.435e-04 -6.760e-05 / + CHEB/ 1.356e-01 -4.226e-04 -2.600e-04 -1.231e-04 / + CHEB/ 8.609e-02 -2.409e-04 -1.482e-04 -7.013e-05 / + CHEB/ 3.397e-02 -8.646e-05 -5.310e-05 -2.504e-05 / + +! Reaction index: Chemkin #2671; RMG #8754 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), CO2(9); C2H3O3(1011), CH3O(27); +C2H3O3(1011)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.455e+01 1.496e+00 -1.453e-02 -6.549e-03 / + CHEB/ 2.361e+01 2.931e-02 1.742e-02 7.695e-03 / + CHEB/ 3.696e-01 -1.104e-02 -6.415e-03 -2.689e-03 / + CHEB/ 2.002e-01 1.987e-03 1.039e-03 3.287e-04 / + CHEB/ 7.428e-02 -1.176e-03 -6.529e-04 -2.489e-04 / + CHEB/ -3.126e-03 4.756e-04 2.814e-04 1.225e-04 / + +! Reaction index: Chemkin #2672; RMG #8759 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), CO2(9); HOCH2OCO(96), CH3O(27); +HOCH2OCO(96)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.563e+01 7.196e-01 -1.697e-01 4.452e-03 / + CHEB/ 2.399e+01 6.054e-01 4.578e-02 -3.253e-02 / + CHEB/ 3.241e-01 1.267e-01 5.544e-02 -7.738e-03 / + CHEB/ 1.521e-01 9.853e-03 1.993e-02 9.637e-03 / + CHEB/ 8.881e-02 -3.787e-02 -3.278e-04 6.282e-03 / + CHEB/ 6.109e-02 -1.923e-02 -7.519e-03 1.229e-03 / + +! Reaction index: Chemkin #2673; RMG #8744 +! PDep reaction: PDepNetwork #128 +! Flux pairs: HOCH2O(38), CO2(9); CO(8), CH3O(27); +CO(8)+HOCH2O(38)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.245e+01 -1.227e-03 -7.569e-04 -3.598e-04 / + CHEB/ 2.225e+01 7.009e-04 4.326e-04 2.059e-04 / + CHEB/ 1.180e+00 -2.469e-04 -1.517e-04 -7.165e-05 / + CHEB/ 3.627e-01 -2.950e-04 -1.816e-04 -8.600e-05 / + CHEB/ 1.114e-01 -1.645e-04 -1.012e-04 -4.785e-05 / + CHEB/ 4.812e-02 -8.918e-05 -5.475e-05 -2.580e-05 / + +! Reaction index: Chemkin #2674; RMG #8733 +! PDep reaction: PDepNetwork #117 +! Flux pairs: CO2(9), CH2OCHO(97); CH3O(27), O(16); +CO2(9)+CH3O(27)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.964e+01 -2.571e-04 -1.587e-04 -7.565e-05 / + CHEB/ 3.839e+01 1.767e-05 1.092e-05 5.210e-06 / + CHEB/ 8.163e-01 -6.331e-05 -3.908e-05 -1.861e-05 / + CHEB/ 2.908e-01 -7.687e-05 -4.746e-05 -2.261e-05 / + CHEB/ 8.158e-02 -4.907e-05 -3.029e-05 -1.443e-05 / + CHEB/ 3.031e-02 -2.490e-05 -1.537e-05 -7.319e-06 / + +! Reaction index: Chemkin #2675; RMG #8741 +! PDep reaction: PDepNetwork #128 +! Flux pairs: CO(8), OCH2OCHO(93); HOCH2O(38), OCH2OCHO(93); +CO(8)+HOCH2O(38)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.574e+01 1.519e+00 -1.242e-03 -5.900e-04 / + CHEB/ 1.843e+01 7.288e-04 4.493e-04 2.135e-04 / + CHEB/ 4.059e-01 -2.553e-04 -1.569e-04 -7.403e-05 / + CHEB/ 2.293e-01 -4.086e-04 -2.515e-04 -1.191e-04 / + CHEB/ 1.201e-01 -2.306e-04 -1.419e-04 -6.720e-05 / + CHEB/ 4.514e-02 -8.630e-05 -5.303e-05 -2.502e-05 / + +! Reaction index: Chemkin #2676; RMG #8742 +! PDep reaction: PDepNetwork #128 +! Flux pairs: CO(8), C2H3O3(1011); HOCH2O(38), C2H3O3(1011); +CO(8)+HOCH2O(38)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.764e+01 1.497e+00 -1.406e-02 -6.352e-03 / + CHEB/ 1.873e+01 2.722e-02 1.619e-02 7.171e-03 / + CHEB/ 6.578e-01 -1.113e-02 -6.497e-03 -2.754e-03 / + CHEB/ 2.957e-01 1.719e-03 8.894e-04 2.709e-04 / + CHEB/ 1.042e-01 -1.076e-03 -5.993e-04 -2.303e-04 / + CHEB/ 4.838e-03 5.968e-04 3.537e-04 1.546e-04 / + +! Reaction index: Chemkin #2677; RMG #8745 +! PDep reaction: PDepNetwork #128 +! Flux pairs: HOCH2O(38), CH2OCHO(97); CO(8), O(16); +CO(8)+HOCH2O(38)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.974e+01 -2.568e-04 -1.586e-04 -7.556e-05 / + CHEB/ 3.116e+01 1.746e-05 1.079e-05 5.150e-06 / + CHEB/ 8.228e-01 -6.368e-05 -3.931e-05 -1.872e-05 / + CHEB/ 3.080e-01 -7.709e-05 -4.759e-05 -2.267e-05 / + CHEB/ 8.930e-02 -4.919e-05 -3.037e-05 -1.446e-05 / + CHEB/ 3.325e-02 -2.500e-05 -1.543e-05 -7.349e-06 / + +! Reaction index: Chemkin #2678; RMG #8747 +! PDep reaction: PDepNetwork #128 +! Flux pairs: HOCH2O(38), O[CH]O(970); CO(8), CO(8); +CO(8)+HOCH2O(38)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.806e+01 -2.379e-01 -1.159e-01 -3.398e-02 / + CHEB/ 2.268e+01 2.948e-01 1.341e-01 3.183e-02 / + CHEB/ 1.376e+00 -8.067e-02 -2.882e-02 -1.166e-03 / + CHEB/ -7.512e-02 -1.619e-02 -1.280e-02 -6.442e-03 / + CHEB/ -1.298e-01 1.245e-02 6.631e-03 1.880e-03 / + CHEB/ 7.038e-02 9.176e-03 5.166e-03 2.004e-03 / +DUPLICATE + +! Reaction index: Chemkin #2679; RMG #8748 +! PDep reaction: PDepNetwork #128 +! Flux pairs: HOCH2O(38), FA(1); CO(8), HCO(13); +CO(8)+HOCH2O(38)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.527e+01 -2.469e-02 -1.483e-02 -6.702e-03 / + CHEB/ 1.969e+01 2.478e-02 1.473e-02 6.507e-03 / + CHEB/ 6.310e-01 -1.219e-02 -7.146e-03 -3.054e-03 / + CHEB/ 3.040e-01 2.004e-03 1.056e-03 3.419e-04 / + CHEB/ 6.211e-02 5.324e-05 7.556e-05 7.036e-05 / + CHEB/ 1.288e-02 1.764e-03 1.054e-03 4.696e-04 / +DUPLICATE + +! Reaction index: Chemkin #2680; RMG #8755 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), O(16); C2H3O3(1011), CH2OCHO(97); +C2H3O3(1011)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.541e+01 1.518e+00 -1.747e-03 -8.208e-04 / + CHEB/ 3.489e+01 2.409e-03 1.471e-03 6.907e-04 / + CHEB/ 3.534e-01 -9.931e-04 -6.129e-04 -2.921e-04 / + CHEB/ 2.025e-01 -1.147e-04 -7.048e-05 -3.367e-05 / + CHEB/ 5.686e-02 -1.196e-04 -7.204e-05 -3.304e-05 / + CHEB/ -1.079e-02 3.148e-05 1.980e-05 9.850e-06 / + +! Reaction index: Chemkin #2681; RMG #8760 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), O(16); HOCH2OCO(96), CH2OCHO(97); +HOCH2OCO(96)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.604e+01 1.254e+00 -1.229e-01 -3.023e-02 / + CHEB/ 3.489e+01 2.507e-01 1.014e-01 1.409e-02 / + CHEB/ 2.460e-01 2.524e-03 1.272e-02 1.074e-02 / + CHEB/ 1.559e-01 -2.785e-03 -2.746e-03 -8.356e-04 / + CHEB/ 9.516e-02 -1.905e-02 -8.257e-03 -1.708e-03 / + CHEB/ 6.346e-02 -3.573e-03 -2.802e-03 -1.578e-03 / + +! Reaction index: Chemkin #2682; RMG #8763 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); C2O(57), HCCO(53); +! Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;Y_1centerbirad] +! Euclidian distance = 1.0 +! family: H_Abstraction +HO2(4)+C2O(57)<=>O2(2)+HCCO(53) 4.949747e+10 0.000 -1.637 + +! Reaction index: Chemkin #2683; RMG #8767 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(977), C2HO3(993); O(16), OH(3); +! From training reaction 691 used for O/H/OneDeC;O_atom_triplet +! Exact match found for rate rule [O/H/OneDeC;O_atom_triplet] +! Euclidian distance = 0 +! family: H_Abstraction +O(16)+C2H2O3(977)<=>OH(3)+C2HO3(993) 1.700000e+08 1.500 11.796 + +! Reaction index: Chemkin #2684; RMG #8770 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), [O]C#CO(1004); O(16), OH(3); +! Estimated using template [Cd_H;O_atom_triplet] for rate rule [Cd_allenic;O_atom_triplet] +! Euclidian distance = 1.0 +! family: H_Abstraction +O(16)+C2H2O2(1030)<=>OH(3)+[O]C#CO(1004) 1.317580e+09 1.203 27.420 + +! Reaction index: Chemkin #2685; RMG #8772 +! Template reaction: H_Abstraction +! Flux pairs: HCCO(53), C2O(57); O(16), OH(3); +! Estimated using an average for rate rule [C_rad_H;O_atom_triplet] +! Euclidian distance = 0 +! family: H_Abstraction +O(16)+HCCO(53)<=>OH(3)+C2O(57) 3.300000e+08 1.500 -0.890 + +! Reaction index: Chemkin #2686; RMG #8782 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), O(16); OCH2OCHO(93), CH2OCHO(97); +OCH2OCHO(93)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.189e+01 1.520e+00 -1.872e-04 -8.919e-05 / + CHEB/ 3.370e+01 -4.546e-05 -2.804e-05 -1.334e-05 / + CHEB/ 2.238e-01 -1.060e-04 -6.540e-05 -3.113e-05 / + CHEB/ 1.512e-01 -1.088e-04 -6.718e-05 -3.199e-05 / + CHEB/ 8.485e-02 -7.214e-05 -4.452e-05 -2.120e-05 / + CHEB/ 2.959e-02 -3.952e-05 -2.439e-05 -1.161e-05 / + +! Reaction index: Chemkin #2687; RMG #9205 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), HCO(13); [O]C1OC1O(1092), FA(1); +[O]C1OC1O(1092)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.017e+01 1.114e+00 -1.761e-01 -3.952e-02 / + CHEB/ -1.364e-01 4.141e-01 1.567e-01 2.054e-02 / + CHEB/ -2.186e-01 -9.177e-02 -1.784e-02 9.551e-03 / + CHEB/ -4.672e-02 1.627e-02 -2.208e-03 -5.919e-03 / + CHEB/ -3.659e-02 1.511e-02 8.406e-03 1.875e-03 / + CHEB/ -1.288e-02 1.287e-02 5.911e-03 1.543e-03 / + +! Reaction index: Chemkin #2688; RMG #9204 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), H(5); [O]C1OC1O(1092), C2H2O3(976); +[O]C1OC1O(1092)(+M)<=>H(5)+C2H2O3(976)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.025e+00 1.324e+00 -9.676e-02 -2.881e-02 / + CHEB/ 1.772e+00 2.659e-01 1.233e-01 3.109e-02 / + CHEB/ 2.151e-01 -8.927e-02 -3.194e-02 -7.275e-04 / + CHEB/ 5.462e-03 1.037e-02 -2.810e-03 -6.112e-03 / + CHEB/ -4.056e-03 -2.333e-03 1.265e-03 1.574e-03 / + CHEB/ -1.189e-02 3.617e-03 1.776e-03 7.353e-04 / + +! Reaction index: Chemkin #2689; RMG #9203 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), CO(8); [O]C1OC1O(1092), O[CH]O(970); +[O]C1OC1O(1092)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.310e+00 6.851e-01 -2.292e-01 -3.061e-02 / + CHEB/ 3.742e+00 7.677e-01 1.131e-01 -1.784e-02 / + CHEB/ 7.410e-02 8.878e-03 6.378e-02 1.167e-02 / + CHEB/ -4.691e-02 -3.636e-02 4.671e-03 1.587e-02 / + CHEB/ -4.232e-02 -7.373e-03 -5.768e-03 1.677e-03 / + CHEB/ -1.066e-02 1.122e-02 -3.273e-04 -2.935e-03 / + +! Reaction index: Chemkin #2690; RMG #9187 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), C2H3O3(1011); +[O]C1OC1O(1092)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.473e+00 2.613e+00 -1.789e-01 -3.656e-02 / + CHEB/ -1.633e+00 4.979e-01 1.909e-01 2.733e-02 / + CHEB/ -3.324e-01 -6.367e-02 -4.358e-03 1.325e-02 / + CHEB/ -8.183e-03 -9.381e-03 -1.316e-02 -7.634e-03 / + CHEB/ 3.908e-02 -1.391e-02 -4.485e-03 -6.977e-04 / + CHEB/ -1.060e-02 7.842e-04 5.022e-04 3.832e-04 / + +! Reaction index: Chemkin #2691; RMG #9198 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), HOCH2OCO(96); +[O]C1OC1O(1092)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.617e+00 1.613e+00 -1.228e-01 -2.535e-02 / + CHEB/ 2.730e+00 6.197e-01 2.212e-02 2.558e-02 / + CHEB/ -1.668e-02 2.134e-01 -6.366e-02 -9.333e-03 / + CHEB/ -9.738e-02 1.481e-01 -1.046e-03 -1.099e-02 / + CHEB/ -3.456e-02 2.989e-02 1.241e-02 -3.065e-03 / + CHEB/ -6.470e-03 -6.952e-03 1.301e-02 1.346e-04 / + +! Reaction index: Chemkin #2692; RMG #9207 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), H2O(17); [O]C1OC1O(1092), OCHCO(63); +[O]C1OC1O(1092)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.467e+00 1.432e+00 -5.107e-02 -2.135e-02 / + CHEB/ 9.087e+00 3.524e-02 1.998e-02 7.974e-03 / + CHEB/ 8.282e-02 1.088e-03 1.174e-03 9.624e-04 / + CHEB/ -2.601e-02 1.844e-02 1.006e-02 3.671e-03 / + CHEB/ -2.394e-02 1.242e-02 6.881e-03 2.607e-03 / + CHEB/ -8.924e-03 5.092e-03 2.767e-03 1.005e-03 / + +! Reaction index: Chemkin #2693; RMG #9214 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), CO2(9); [O]C1OC1O(1092), CH2OH(26); +[O]C1OC1O(1092)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.683e+00 -1.663e-01 -2.479e-01 -5.367e-03 / + CHEB/ 8.864e+00 1.684e+00 1.712e-01 -1.855e-02 / + CHEB/ 8.015e-01 -3.036e-02 -9.062e-03 -2.936e-03 / + CHEB/ 3.783e-02 -1.209e-02 5.276e-02 1.769e-02 / + CHEB/ -1.261e-02 2.168e-02 3.283e-02 3.576e-03 / + CHEB/ 4.920e-02 -3.010e-03 -9.497e-03 -5.182e-05 / + +! Reaction index: Chemkin #2694; RMG #9206 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), CO(8); [O]C1OC1O(1092), HOCH2O(38); +[O]C1OC1O(1092)(+M)<=>CO(8)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.210e+01 1.490e+00 -1.827e-02 -8.328e-03 / + CHEB/ 1.604e+01 2.413e-02 1.435e-02 6.349e-03 / + CHEB/ 1.088e+00 -1.081e-02 -6.310e-03 -2.676e-03 / + CHEB/ 2.037e-01 4.243e-03 2.424e-03 9.760e-04 / + CHEB/ -1.443e-01 2.702e-03 1.689e-03 8.182e-04 / + CHEB/ -1.132e-01 2.537e-03 1.523e-03 6.876e-04 / + +! Reaction index: Chemkin #2695; RMG #9209 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), H(5); [O]C1OC1O(1092), C2H2O3(977); +[O]C1OC1O(1092)(+M)<=>H(5)+C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.201e+00 1.310e+00 -1.119e-01 -3.922e-02 / + CHEB/ 2.242e+00 1.443e-01 7.144e-02 2.078e-02 / + CHEB/ 1.578e-01 -1.173e-02 -1.937e-03 2.561e-03 / + CHEB/ 8.774e-03 2.653e-02 1.239e-02 3.027e-03 / + CHEB/ -2.765e-02 2.041e-02 1.090e-02 3.704e-03 / + CHEB/ -1.709e-02 7.595e-03 3.999e-03 1.366e-03 / + +! Reaction index: Chemkin #2696; RMG #8386 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), [O]C1OC1O(1092); OCHCHO(52), [O]C1OC1O(1092); +OH(3)+OCHCHO(52)(+M)<=>[O]C1OC1O(1092)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.771e+00 1.463e+00 -3.432e-02 -1.504e-02 / + CHEB/ 7.921e+00 1.676e-02 9.966e-03 4.401e-03 / + CHEB/ 1.988e-01 2.629e-03 1.698e-03 8.696e-04 / + CHEB/ 6.430e-02 1.319e-02 7.476e-03 2.981e-03 / + CHEB/ 2.827e-02 9.299e-03 5.268e-03 2.099e-03 / + CHEB/ 1.931e-02 3.888e-03 2.174e-03 8.412e-04 / + +! Reaction index: Chemkin #2697; RMG #9199 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), C2H3O3(1032); +[O]C1OC1O(1092)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.034e+00 2.138e+00 -2.414e-01 -3.200e-02 / + CHEB/ 2.199e+00 7.653e-01 9.580e-02 -2.057e-02 / + CHEB/ -1.113e-01 3.972e-02 6.616e-02 6.475e-03 / + CHEB/ -4.601e-03 -2.610e-02 1.326e-02 1.642e-02 / + CHEB/ 2.511e-02 -8.994e-03 -2.609e-03 4.371e-03 / + CHEB/ 1.312e-02 9.070e-03 -1.246e-03 -2.106e-03 / + +! Reaction index: Chemkin #2698; RMG #9201 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), C2H3O3(1043); +[O]C1OC1O(1092)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.810e+00 1.361e+00 -2.463e-01 -5.064e-03 / + CHEB/ 8.279e+00 1.686e+00 1.720e-01 -1.848e-02 / + CHEB/ 7.386e-01 -3.124e-02 -8.202e-03 -2.608e-03 / + CHEB/ 4.036e-02 -1.200e-02 5.335e-02 1.780e-02 / + CHEB/ -2.054e-03 2.110e-02 3.217e-02 3.409e-03 / + CHEB/ 5.670e-02 -3.958e-03 -1.011e-02 -7.327e-05 / + +! Reaction index: Chemkin #2699; RMG #8433 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), [O]C1OC1O(1092); C2H2O2(1070), [O]C1OC1O(1092); +OH(3)+C2H2O2(1070)(+M)<=>[O]C1OC1O(1092)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.433e+01 1.104e+00 -1.568e-01 -2.948e-02 / + CHEB/ 1.485e+01 5.147e-01 1.738e-01 2.164e-02 / + CHEB/ 1.523e+00 -8.591e-02 -9.056e-03 8.529e-03 / + CHEB/ 5.943e-01 -4.237e-02 -2.220e-02 -5.158e-03 / + CHEB/ 1.181e-01 -5.542e-03 -5.958e-03 -3.642e-03 / + CHEB/ -1.464e-02 7.459e-03 2.446e-03 -2.866e-04 / + +! Reaction index: Chemkin #2700; RMG #8440 +! PDep reaction: PDepNetwork #310 +! Flux pairs: OH(3), [O]C1OC1O(1092); C2H2O2(1030), [O]C1OC1O(1092); +OH(3)+C2H2O2(1030)(+M)<=>[O]C1OC1O(1092)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.795e+00 1.109e+00 -1.755e-01 -3.891e-02 / + CHEB/ 1.715e+00 4.125e-01 1.443e-01 1.076e-02 / + CHEB/ 3.965e-01 -4.175e-02 1.017e-02 1.758e-02 / + CHEB/ 1.395e-01 -1.077e-02 -8.309e-03 -8.566e-04 / + CHEB/ 4.969e-02 7.699e-04 -5.349e-04 -1.384e-03 / + CHEB/ 3.167e-02 7.543e-03 3.212e-03 3.092e-04 / + +! Reaction index: Chemkin #2701; RMG #9200 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), C2H3O3(1066); +[O]C1OC1O(1092)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.182e+00 6.651e-01 -2.999e-01 -1.070e-02 / + CHEB/ 5.714e+00 1.898e+00 1.484e-01 -1.736e-02 / + CHEB/ 3.434e-01 1.788e-01 4.036e-03 -5.811e-03 / + CHEB/ -1.077e-01 -6.020e-02 -2.314e-02 5.783e-03 / + CHEB/ -8.309e-02 -2.199e-02 3.042e-02 1.246e-02 / + CHEB/ -6.710e-04 1.314e-02 2.885e-02 3.577e-03 / + +! Reaction index: Chemkin #2702; RMG #9186 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), C2H3O3(1012); +[O]C1OC1O(1092)(+M)<=>C2H3O3(1012)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.329e+00 2.737e+00 -1.567e-01 -5.077e-02 / + CHEB/ 2.934e-01 1.724e-01 8.269e-02 2.208e-02 / + CHEB/ -3.609e-01 1.059e-02 9.255e-03 5.656e-03 / + CHEB/ -1.902e-01 3.200e-02 1.337e-02 2.029e-03 / + CHEB/ -1.162e-01 2.425e-02 1.156e-02 2.882e-03 / + CHEB/ -5.205e-02 9.787e-03 4.874e-03 1.438e-03 / + +! Reaction index: Chemkin #2703; RMG #9215 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), CO2(9); [O]C1OC1O(1092), CH3O(27); +[O]C1OC1O(1092)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.452e+01 1.488e+00 -1.953e-02 -8.587e-03 / + CHEB/ 1.488e+01 2.398e-02 1.464e-02 6.783e-03 / + CHEB/ 8.018e-01 -1.054e-02 -6.356e-03 -2.822e-03 / + CHEB/ 4.483e-01 6.023e-03 2.954e-03 8.067e-04 / + CHEB/ 2.421e-01 3.960e-03 2.110e-03 7.267e-04 / + CHEB/ 1.332e-01 3.204e-03 1.917e-03 8.307e-04 / + +! Reaction index: Chemkin #2704; RMG #8865 +! PDep reaction: PDepNetwork #51 +! Flux pairs: FA(1), C2H3O2(1046); HCO(13), O-2(1040); +HCO(13)+FA(1)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.875e+01 -3.090e-03 -1.902e-03 -9.018e-04 / + CHEB/ 4.633e+01 8.137e-04 4.984e-04 2.342e-04 / + CHEB/ 1.238e-01 1.840e-04 1.135e-04 5.381e-05 / + CHEB/ 9.247e-02 -1.483e-04 -9.119e-05 -4.308e-05 / + CHEB/ -1.361e-02 6.970e-05 4.319e-05 2.068e-05 / + CHEB/ 4.455e-03 -2.963e-06 -1.831e-06 -8.644e-07 / + +! Reaction index: Chemkin #2705; RMG #8866 +! PDep reaction: PDepNetwork #51 +! Flux pairs: FA(1), OC1[CH]O1(1140); HCO(13), O(16); +HCO(13)+FA(1)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.047e+01 -3.853e-03 -2.369e-03 -1.121e-03 / + CHEB/ 4.064e+01 1.235e-03 7.549e-04 3.541e-04 / + CHEB/ 1.903e-01 2.258e-05 1.412e-05 6.463e-06 / + CHEB/ 1.265e-01 -1.341e-04 -8.230e-05 -3.868e-05 / + CHEB/ 1.729e-02 1.201e-04 7.442e-05 3.558e-05 / + CHEB/ 2.532e-02 4.643e-05 2.846e-05 1.340e-05 / + +! Reaction index: Chemkin #2706; RMG #8869 +! PDep reaction: PDepNetwork #80 +! Flux pairs: H2O(17), C2H3O3(1011); OCHCO(63), C2H3O3(1011); +H2O(17)+OCHCO(63)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.176e+01 1.376e+00 -8.304e-02 -3.415e-02 / + CHEB/ 1.479e+01 1.075e-01 6.005e-02 2.324e-02 / + CHEB/ 4.036e-01 -3.178e-02 -1.608e-02 -4.730e-03 / + CHEB/ 1.211e-01 2.804e-02 1.438e-02 4.434e-03 / + CHEB/ 7.040e-02 9.216e-03 5.490e-03 2.398e-03 / + CHEB/ -1.940e-02 7.031e-03 3.771e-03 1.337e-03 / + +! Reaction index: Chemkin #2707; RMG #8870 +! PDep reaction: PDepNetwork #80 +! Flux pairs: H2O(17), HOCH2OCO(96); OCHCO(63), HOCH2OCO(96); +H2O(17)+OCHCO(63)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.392e+01 3.398e-01 -1.741e-01 -2.337e-02 / + CHEB/ 1.583e+01 7.247e-01 -8.473e-03 4.833e-03 / + CHEB/ 3.369e-01 2.004e-01 9.634e-03 -2.644e-02 / + CHEB/ 6.279e-02 5.643e-02 4.517e-02 5.334e-04 / + CHEB/ 7.798e-02 -2.631e-02 1.812e-02 7.085e-03 / + CHEB/ 4.396e-02 -2.217e-02 1.158e-03 6.001e-03 / + +! Reaction index: Chemkin #2708; RMG #9116 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), H2O(17); OCH2OCHO(93), OCHCO(63); +OCH2OCHO(93)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.704e+01 1.371e+00 -8.609e-02 -3.570e-02 / + CHEB/ 1.847e+01 1.160e-01 6.520e-02 2.559e-02 / + CHEB/ 4.790e-01 -3.189e-02 -1.618e-02 -4.807e-03 / + CHEB/ 1.689e-01 2.621e-02 1.336e-02 4.045e-03 / + CHEB/ 1.315e-01 7.961e-03 4.807e-03 2.150e-03 / + CHEB/ 4.109e-02 6.395e-03 3.439e-03 1.228e-03 / + +! Reaction index: Chemkin #2709; RMG #8872 +! PDep reaction: PDepNetwork #80 +! Flux pairs: OCHCO(63), C2H3O2(1046); H2O(17), O-2(1040); +H2O(17)+OCHCO(63)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.708e+01 -3.481e-03 -2.136e-03 -1.006e-03 / + CHEB/ 4.457e+01 -5.744e-06 -1.883e-05 -2.217e-05 / + CHEB/ 3.419e-01 2.384e-04 1.533e-04 7.807e-05 / + CHEB/ 6.533e-02 1.085e-04 6.586e-05 3.059e-05 / + CHEB/ -3.072e-03 3.604e-04 2.227e-04 1.062e-04 / + CHEB/ -1.402e-02 1.669e-04 1.027e-04 4.861e-05 / + +! Reaction index: Chemkin #2710; RMG #8873 +! PDep reaction: PDepNetwork #80 +! Flux pairs: OCHCO(63), OC1[CH]O1(1140); H2O(17), O(16); +H2O(17)+OCHCO(63)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.907e+01 -4.339e-03 -2.659e-03 -1.249e-03 / + CHEB/ 3.903e+01 -2.636e-04 -1.848e-04 -1.060e-04 / + CHEB/ 4.789e-01 1.920e-04 1.281e-04 6.850e-05 / + CHEB/ 1.398e-01 2.769e-04 1.691e-04 7.938e-05 / + CHEB/ 4.550e-02 5.688e-04 3.508e-04 1.666e-04 / + CHEB/ 1.427e-02 2.886e-04 1.772e-04 8.361e-05 / + +! Reaction index: Chemkin #2711; RMG #8934 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), OCHCO(63); H(5), H2O(17); +H(5)+C2H2O3(976)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.352e+00 -1.303e-01 -7.506e-02 -3.111e-02 / + CHEB/ 1.173e+01 1.117e-01 6.269e-02 2.450e-02 / + CHEB/ 4.140e-01 -3.081e-02 -1.568e-02 -4.689e-03 / + CHEB/ 4.894e-02 2.438e-02 1.258e-02 3.954e-03 / + CHEB/ 4.802e-02 5.750e-03 3.688e-03 1.824e-03 / + CHEB/ 9.077e-03 4.786e-03 2.604e-03 9.594e-04 / + +! Reaction index: Chemkin #2712; RMG #8875 +! PDep reaction: PDepNetwork #80 +! Flux pairs: OCHCO(63), CO2(9); H2O(17), CH3O(27); +H2O(17)+OCHCO(63)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.795e+01 -1.016e-02 -6.199e-03 -2.885e-03 / + CHEB/ 2.227e+01 1.040e-02 6.322e-03 2.921e-03 / + CHEB/ 5.844e-01 -1.587e-03 -9.477e-04 -4.216e-04 / + CHEB/ 1.906e-01 -4.823e-04 -3.022e-04 -1.480e-04 / + CHEB/ 6.328e-02 -5.050e-04 -3.070e-04 -1.421e-04 / + CHEB/ 2.189e-02 1.936e-04 1.176e-04 5.418e-05 / + +! Reaction index: Chemkin #2713; RMG #8876 +! PDep reaction: PDepNetwork #80 +! Flux pairs: OCHCO(63), CH2OCHO(97); H2O(17), O(16); +H2O(17)+OCHCO(63)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.549e+01 -9.000e-03 -5.510e-03 -2.589e-03 / + CHEB/ 3.326e+01 2.035e-03 1.217e-03 5.527e-04 / + CHEB/ 7.967e-01 -6.013e-04 -3.598e-04 -1.639e-04 / + CHEB/ 2.652e-01 7.286e-04 4.459e-04 2.094e-04 / + CHEB/ 9.395e-02 9.185e-04 5.647e-04 2.661e-04 / + CHEB/ 2.752e-02 5.139e-04 3.144e-04 1.472e-04 / + +! Reaction index: Chemkin #2714; RMG #8882 +! PDep reaction: PDepNetwork #82 +! Flux pairs: O[CH]O(970), C2H3O2(1046); CO(8), O-2(1040); +CO(8)+O[CH]O(970)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.674e+01 -4.068e-02 -2.410e-02 -1.057e-02 / + CHEB/ 4.446e+01 4.369e-02 2.538e-02 1.067e-02 / + CHEB/ 2.170e-01 -1.275e-02 -7.063e-03 -2.654e-03 / + CHEB/ 3.264e-02 1.368e-04 -1.773e-04 -3.057e-04 / + CHEB/ -1.466e-02 -9.811e-04 -5.282e-04 -1.880e-04 / + CHEB/ -1.774e-02 4.042e-04 2.350e-04 1.003e-04 / + +! Reaction index: Chemkin #2715; RMG #8883 +! PDep reaction: PDepNetwork #82 +! Flux pairs: O[CH]O(970), OC1[CH]O1(1140); CO(8), O(16); +CO(8)+O[CH]O(970)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.857e+01 -6.029e-02 -3.491e-02 -1.462e-02 / + CHEB/ 3.885e+01 6.660e-02 3.748e-02 1.471e-02 / + CHEB/ 3.329e-01 -1.920e-02 -1.001e-02 -3.221e-03 / + CHEB/ 1.014e-01 2.209e-04 -4.448e-04 -6.739e-04 / + CHEB/ 3.260e-02 -1.159e-03 -5.588e-04 -1.489e-04 / + CHEB/ 1.116e-02 6.738e-04 3.878e-04 1.641e-04 / + +! Reaction index: Chemkin #2716; RMG #8978 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), CO2(9); C2H3O3(1011), CH2OH(26); +C2H3O3(1011)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.851e+01 -2.503e-01 -2.914e-01 -1.808e-02 / + CHEB/ 1.795e+01 1.755e+00 2.133e-01 -5.976e-03 / + CHEB/ 8.445e-01 -8.297e-02 -3.603e-02 -9.218e-03 / + CHEB/ 5.790e-02 7.192e-03 5.868e-02 1.762e-02 / + CHEB/ 1.416e-02 1.594e-02 3.083e-02 3.709e-03 / + CHEB/ -9.555e-04 1.226e-04 -6.820e-03 9.941e-04 / + +! Reaction index: Chemkin #2717; RMG #9123 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), CO2(9); OCH2OCHO(93), CH2OH(26); +OCH2OCHO(93)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.138e+01 -1.804e-01 -2.831e-01 -1.669e-02 / + CHEB/ 1.838e+01 1.733e+00 2.145e-01 -7.444e-03 / + CHEB/ 1.137e+00 -1.034e-01 -3.073e-02 -5.731e-03 / + CHEB/ 2.151e-01 1.972e-02 6.614e-02 1.792e-02 / + CHEB/ 1.339e-01 1.211e-02 2.258e-02 1.876e-03 / + CHEB/ 9.103e-02 -4.850e-03 -9.084e-03 2.554e-03 / + +! Reaction index: Chemkin #2718; RMG #8889 +! PDep reaction: PDepNetwork #101 +! Flux pairs: CO2(9), C2H3O2(1046); CH2OH(26), O-2(1040); +CO2(9)+CH2OH(26)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.769e+01 -1.099e-02 -6.751e-03 -3.187e-03 / + CHEB/ 5.365e+01 9.031e-03 5.532e-03 2.596e-03 / + CHEB/ 7.499e-01 -9.823e-04 -5.893e-04 -2.650e-04 / + CHEB/ 1.762e-01 -1.077e-04 -6.993e-05 -3.634e-05 / + CHEB/ -5.503e-03 4.911e-05 3.099e-05 1.532e-05 / + CHEB/ -2.750e-02 5.855e-05 3.583e-05 1.678e-05 / + +! Reaction index: Chemkin #2719; RMG #8890 +! PDep reaction: PDepNetwork #101 +! Flux pairs: CO2(9), OC1[CH]O1(1140); CH2OH(26), O(16); +CO2(9)+CH2OH(26)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.057e+01 -1.707e-02 -1.048e-02 -4.933e-03 / + CHEB/ 4.853e+01 1.531e-02 9.369e-03 4.384e-03 / + CHEB/ 1.112e+00 -1.693e-03 -1.014e-03 -4.537e-04 / + CHEB/ 3.320e-01 -1.136e-04 -7.645e-05 -4.209e-05 / + CHEB/ 3.556e-02 -1.357e-04 -8.137e-05 -3.660e-05 / + CHEB/ -1.310e-02 9.105e-05 5.519e-05 2.535e-05 / + +! Reaction index: Chemkin #2720; RMG #8941 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), CO2(9); H(5), CH2OH(26); +H(5)+C2H2O3(976)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.956e+00 -1.428e+00 -2.306e-01 -8.182e-03 / + CHEB/ 1.208e+01 1.538e+00 1.688e-01 -1.766e-02 / + CHEB/ 1.058e+00 -1.265e-01 6.591e-03 7.138e-03 / + CHEB/ 1.449e-01 3.268e-02 6.369e-02 1.245e-02 / + CHEB/ 1.216e-01 -9.832e-03 -2.892e-03 1.776e-03 / + CHEB/ 1.052e-01 -2.002e-02 -1.159e-02 4.036e-03 / + +! Reaction index: Chemkin #2721; RMG #8912 +! PDep reaction: PDepNetwork #117 +! Flux pairs: CO2(9), CO2(9); CH3O(27), CH2OH(26); +CO2(9)+CH3O(27)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.339e+01 -1.753e-02 -1.070e-02 -4.989e-03 / + CHEB/ 2.692e+01 1.661e-02 1.012e-02 4.700e-03 / + CHEB/ 4.404e-01 -3.189e-03 -1.922e-03 -8.701e-04 / + CHEB/ 1.728e-01 -7.985e-04 -5.009e-04 -2.455e-04 / + CHEB/ 8.409e-02 -8.128e-04 -4.933e-04 -2.281e-04 / + CHEB/ 4.466e-02 2.690e-05 1.723e-05 8.333e-06 / + +! Reaction index: Chemkin #2722; RMG #8893 +! PDep reaction: PDepNetwork #101 +! Flux pairs: CO2(9), CH2OCHO(97); CH2OH(26), O(16); +CO2(9)+CH2OH(26)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.814e+01 -3.634e-02 -2.207e-02 -1.017e-02 / + CHEB/ 4.329e+01 3.746e-02 2.261e-02 1.030e-02 / + CHEB/ 1.723e+00 -4.949e-03 -2.889e-03 -1.226e-03 / + CHEB/ 5.967e-01 -9.801e-04 -6.278e-04 -3.190e-04 / + CHEB/ 1.010e-01 -1.083e-03 -6.453e-04 -2.868e-04 / + CHEB/ -2.292e-02 3.486e-04 2.042e-04 8.741e-05 / + +! Reaction index: Chemkin #2723; RMG #9099 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), CO2(9); C2H3O3(1012), CH3O(27); +C2H3O3(1012)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.033e+01 1.439e+00 -4.499e-02 -1.762e-02 / + CHEB/ 1.982e+01 1.888e-02 1.351e-02 7.788e-03 / + CHEB/ 1.211e+00 1.769e-02 5.961e-03 -1.826e-04 / + CHEB/ 4.035e-01 4.384e-02 2.190e-02 6.571e-03 / + CHEB/ 1.410e-01 1.628e-02 1.014e-02 4.447e-03 / + CHEB/ 5.441e-02 -6.192e-03 -1.460e-03 8.377e-04 / + +! Reaction index: Chemkin #2724; RMG #9009 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), CO2(9); C2H3O3(1032), CH3O(27); +C2H3O3(1032)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.871e+01 1.111e+00 -1.833e-01 -4.319e-02 / + CHEB/ 2.685e+01 3.322e-01 1.334e-01 2.083e-02 / + CHEB/ 9.803e-01 8.746e-02 4.820e-02 1.630e-02 / + CHEB/ 3.509e-01 5.172e-03 7.395e-03 6.188e-03 / + CHEB/ 2.548e-01 -3.011e-02 -1.282e-02 -2.329e-03 / + CHEB/ 1.611e-01 -3.060e-03 -3.077e-03 -2.042e-03 / + +! Reaction index: Chemkin #2725; RMG #8901 +! PDep reaction: PDepNetwork #117 +! Flux pairs: CO2(9), C2H3O3(1066); CH3O(27), C2H3O3(1066); +CO2(9)+CH3O(27)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.311e+01 1.161e+00 -1.530e-01 -3.016e-02 / + CHEB/ 2.604e+01 2.796e-01 1.013e-01 7.513e-03 / + CHEB/ 5.187e-02 4.064e-02 2.562e-02 9.593e-03 / + CHEB/ 1.094e-02 -1.873e-03 7.216e-04 1.791e-03 / + CHEB/ 5.400e-02 -2.000e-02 -7.230e-03 -4.059e-04 / + CHEB/ 4.336e-02 -7.778e-03 -4.107e-03 -1.244e-03 / + +! Reaction index: Chemkin #2726; RMG #9022 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), CO2(9); C2H3O3(1043), CH3O(27); +C2H3O3(1043)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.262e+01 1.503e+00 -1.067e-02 -4.976e-03 / + CHEB/ 2.379e+01 1.665e-02 1.014e-02 4.709e-03 / + CHEB/ 1.845e-01 -3.173e-03 -1.912e-03 -8.658e-04 / + CHEB/ 9.401e-02 -7.853e-04 -4.930e-04 -2.421e-04 / + CHEB/ 5.981e-02 -8.022e-04 -4.870e-04 -2.254e-04 / + CHEB/ 3.727e-02 3.199e-05 2.024e-05 9.648e-06 / + +! Reaction index: Chemkin #2727; RMG #8903 +! PDep reaction: PDepNetwork #117 +! Flux pairs: CO2(9), C2H3O2(1046); CH3O(27), O-2(1040); +CO2(9)+CH3O(27)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.807e+01 -4.788e-03 -2.946e-03 -1.395e-03 / + CHEB/ 5.178e+01 1.313e-03 8.012e-04 3.735e-04 / + CHEB/ 1.122e+00 4.611e-04 2.865e-04 1.379e-04 / + CHEB/ 3.232e-01 5.754e-05 3.577e-05 1.737e-05 / + CHEB/ 2.928e-02 5.093e-05 3.208e-05 1.585e-05 / + CHEB/ -2.599e-02 5.083e-06 2.980e-06 1.283e-06 / + +! Reaction index: Chemkin #2728; RMG #8904 +! PDep reaction: PDepNetwork #117 +! Flux pairs: CO2(9), OC1[CH]O1(1140); CH3O(27), O(16); +CO2(9)+CH3O(27)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.068e+01 -6.285e-03 -3.860e-03 -1.821e-03 / + CHEB/ 4.631e+01 2.081e-03 1.265e-03 5.859e-04 / + CHEB/ 1.404e+00 5.623e-04 3.492e-04 1.677e-04 / + CHEB/ 5.145e-01 1.742e-04 1.083e-04 5.242e-05 / + CHEB/ 1.167e-01 7.408e-05 4.731e-05 2.395e-05 / + CHEB/ 1.532e-03 8.170e-06 4.657e-06 1.893e-06 / + +! Reaction index: Chemkin #2729; RMG #8906 +! PDep reaction: PDepNetwork #117 +! Flux pairs: CO2(9), C2H3O2(1046); CH3O(27), O(16); +CO2(9)+CH3O(27)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.176e+01 -2.544e-02 -1.511e-02 -6.665e-03 / + CHEB/ 3.924e+01 2.498e-02 1.459e-02 6.218e-03 / + CHEB/ 1.837e+00 -7.273e-04 -1.938e-04 1.251e-04 / + CHEB/ 5.771e-01 -8.828e-04 -5.726e-04 -2.918e-04 / + CHEB/ 1.393e-01 -1.322e-03 -7.798e-04 -3.396e-04 / + CHEB/ 5.320e-03 4.095e-04 2.325e-04 9.256e-05 / + +! Reaction index: Chemkin #2730; RMG #8996 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), CO2(9); OH(3), CH3O(27); +OH(3)+OCHCHO(52)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.556e+01 -6.023e-02 -3.340e-02 -1.330e-02 / + CHEB/ 1.500e+01 3.511e-02 2.071e-02 9.342e-03 / + CHEB/ 2.054e+00 1.621e-02 6.092e-03 2.877e-04 / + CHEB/ 7.537e-01 1.999e-02 1.132e-02 4.338e-03 / + CHEB/ 2.723e-01 -5.701e-03 -1.557e-03 5.577e-04 / + CHEB/ 7.239e-02 -1.067e-02 -5.582e-03 -1.780e-03 / + +! Reaction index: Chemkin #2731; RMG #10062 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), CO2(9); H(5), CH3O(27); +H(5)+C2H2O3(1031)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.270e+00 -2.959e-01 -1.272e-01 -2.592e-02 / + CHEB/ 1.158e+01 3.062e-01 1.214e-01 1.752e-02 / + CHEB/ 1.066e+00 2.463e-02 2.229e-02 1.215e-02 / + CHEB/ 5.226e-01 -1.305e-02 -4.969e-03 2.392e-04 / + CHEB/ 2.592e-01 -2.098e-02 -9.534e-03 -2.294e-03 / + CHEB/ 1.395e-01 -5.774e-03 -4.056e-03 -2.018e-03 / + +! Reaction index: Chemkin #2732; RMG #9073 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), CO2(9); OH(3), CH3O(27); +OH(3)+C2H2O2(1030)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.926e+00 -3.007e-01 -1.302e-01 -2.728e-02 / + CHEB/ 8.469e+00 2.955e-01 1.152e-01 1.483e-02 / + CHEB/ 6.635e-01 1.918e-02 1.915e-02 1.085e-02 / + CHEB/ 1.990e-01 -1.388e-02 -5.402e-03 9.137e-05 / + CHEB/ 6.825e-02 -1.878e-02 -8.319e-03 -1.815e-03 / + CHEB/ 3.144e-02 -3.233e-03 -2.615e-03 -1.437e-03 / + +! Reaction index: Chemkin #2733; RMG #8911 +! PDep reaction: PDepNetwork #117 +! Flux pairs: CO2(9), C2H3O2(1042); CH3O(27), O(16); +CO2(9)+CH3O(27)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.980e+01 -8.165e-03 -5.004e-03 -2.350e-03 / + CHEB/ 3.817e+01 7.875e-03 4.811e-03 2.245e-03 / + CHEB/ 1.083e+00 -1.536e-03 -9.297e-04 -4.254e-04 / + CHEB/ 3.559e-01 3.443e-06 -2.567e-06 -5.549e-06 / + CHEB/ 9.673e-02 -1.028e-04 -6.183e-05 -2.798e-05 / + CHEB/ 1.601e-02 -6.823e-05 -4.177e-05 -1.955e-05 / + +! Reaction index: Chemkin #2734; RMG #8924 +! PDep reaction: PDepNetwork #128 +! Flux pairs: HOCH2O(38), C2H3O2(1046); CO(8), O-2(1040); +CO(8)+HOCH2O(38)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.643e+01 -3.396e-03 -2.084e-03 -9.812e-04 / + CHEB/ 4.314e+01 1.234e-04 6.073e-05 1.557e-05 / + CHEB/ 4.902e-01 3.027e-04 1.928e-04 9.676e-05 / + CHEB/ 1.056e-01 1.203e-04 7.308e-05 3.397e-05 / + CHEB/ 5.981e-03 3.449e-04 2.131e-04 1.016e-04 / + CHEB/ -1.295e-02 1.479e-04 9.097e-05 4.304e-05 / + +! Reaction index: Chemkin #2735; RMG #8925 +! PDep reaction: PDepNetwork #128 +! Flux pairs: HOCH2O(38), OC1[CH]O1(1140); CO(8), O(16); +CO(8)+HOCH2O(38)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.884e+01 -4.154e-03 -2.545e-03 -1.196e-03 / + CHEB/ 3.782e+01 -8.094e-06 -2.759e-05 -3.173e-05 / + CHEB/ 6.939e-01 2.910e-04 1.889e-04 9.715e-05 / + CHEB/ 1.938e-01 2.656e-04 1.621e-04 7.603e-05 / + CHEB/ 5.259e-02 5.141e-04 3.172e-04 1.507e-04 / + CHEB/ 1.144e-02 2.427e-04 1.491e-04 7.035e-05 / + +! Reaction index: Chemkin #2736; RMG #8928 +! PDep reaction: PDepNetwork #186 +! Flux pairs: H(5), C2H3O3(1012); C2H2O3(976), C2H3O3(1012); +H(5)+C2H2O3(976)(+M)<=>C2H3O3(1012)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.741e+00 1.176e+00 -1.768e-01 -5.766e-02 / + CHEB/ 4.761e+00 3.285e-01 1.553e-01 4.032e-02 / + CHEB/ 3.130e-01 -8.733e-02 -3.038e-02 8.004e-04 / + CHEB/ -9.029e-02 4.025e-02 1.297e-02 -1.137e-03 / + CHEB/ -7.862e-02 1.579e-02 1.071e-02 4.835e-03 / + CHEB/ -5.381e-02 1.092e-02 5.561e-03 1.931e-03 / + +! Reaction index: Chemkin #2737; RMG #8929 +! PDep reaction: PDepNetwork #186 +! Flux pairs: H(5), C2H3O3(1032); C2H2O3(976), C2H3O3(1032); +H(5)+C2H2O3(976)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.528e+00 6.659e-01 -2.756e-01 -4.812e-02 / + CHEB/ 6.000e+00 8.761e-01 2.034e-01 5.552e-03 / + CHEB/ 3.416e-01 -9.243e-02 2.662e-02 1.270e-02 / + CHEB/ 7.958e-02 -1.870e-02 -2.443e-04 1.084e-02 / + CHEB/ 9.179e-02 -6.993e-03 -6.804e-03 -3.906e-04 / + CHEB/ 2.796e-02 1.426e-02 2.802e-03 -2.303e-03 / + +! Reaction index: Chemkin #2738; RMG #8930 +! PDep reaction: PDepNetwork #186 +! Flux pairs: H(5), C2H3O3(1066); C2H2O3(976), C2H3O3(1066); +H(5)+C2H2O3(976)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.135e+00 -4.682e-01 -3.138e-01 -2.118e-02 / + CHEB/ 9.162e+00 1.888e+00 2.224e-01 -1.837e-03 / + CHEB/ 5.904e-01 -4.366e-02 -4.262e-02 -1.390e-02 / + CHEB/ -6.842e-02 -2.131e-02 3.639e-02 1.557e-02 / + CHEB/ 1.686e-02 1.501e-02 4.429e-02 8.153e-03 / + CHEB/ 4.669e-02 1.083e-02 2.786e-03 -1.834e-03 / + +! Reaction index: Chemkin #2739; RMG #8931 +! PDep reaction: PDepNetwork #186 +! Flux pairs: H(5), C2H3O3(1043); C2H2O3(976), C2H3O3(1043); +H(5)+C2H2O3(976)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.107e+01 9.899e-02 -2.292e-01 -7.939e-03 / + CHEB/ 1.150e+01 1.537e+00 1.690e-01 -1.756e-02 / + CHEB/ 9.984e-01 -1.273e-01 7.493e-03 7.493e-03 / + CHEB/ 1.489e-01 3.200e-02 6.331e-02 1.235e-02 / + CHEB/ 1.323e-01 -1.104e-02 -3.716e-03 1.710e-03 / + CHEB/ 1.117e-01 -2.079e-02 -1.192e-02 3.924e-03 / + +! Reaction index: Chemkin #2740; RMG #8932 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), C2H3O2(1046); H(5), O-2(1040); +H(5)+C2H2O3(976)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.751e+01 -3.010e-03 -1.854e-03 -8.791e-04 / + CHEB/ 3.921e+01 9.384e-04 5.756e-04 2.711e-04 / + CHEB/ 7.835e-02 2.165e-04 1.332e-04 6.294e-05 / + CHEB/ 3.739e-02 -1.700e-04 -1.045e-04 -4.933e-05 / + CHEB/ 1.556e-02 2.757e-05 1.720e-05 8.331e-06 / + CHEB/ 7.624e-03 -3.367e-05 -2.070e-05 -9.779e-06 / + +! Reaction index: Chemkin #2741; RMG #8933 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), OC1[CH]O1(1140); H(5), O(16); +H(5)+C2H2O3(976)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.948e+01 -3.684e-03 -2.266e-03 -1.073e-03 / + CHEB/ 3.358e+01 1.514e-03 9.270e-04 4.361e-04 / + CHEB/ 1.649e-01 8.915e-05 5.444e-05 2.501e-05 / + CHEB/ 8.191e-02 -1.801e-04 -1.104e-04 -5.183e-05 / + CHEB/ 4.956e-02 2.883e-05 1.827e-05 9.054e-06 / + CHEB/ 3.049e-02 -1.908e-05 -1.169e-05 -5.448e-06 / + +! Reaction index: Chemkin #2742; RMG #8935 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), C2H3O2(1046); H(5), O(16); +H(5)+C2H2O3(976)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.036e+01 -1.100e-02 -6.732e-03 -3.161e-03 / + CHEB/ 2.553e+01 2.331e-03 1.401e-03 6.436e-04 / + CHEB/ 2.416e-01 -9.117e-04 -5.495e-04 -2.525e-04 / + CHEB/ 3.392e-02 1.272e-03 7.771e-04 3.628e-04 / + CHEB/ 2.814e-02 1.414e-03 8.662e-04 4.052e-04 / + CHEB/ 3.641e-03 8.299e-04 5.062e-04 2.355e-04 / + +! Reaction index: Chemkin #2743; RMG #8958 +! PDep reaction: PDepNetwork #213 +! Flux pairs: C2H2O3(977), C2H2O3(976); H(5), H(5); +H(5)+C2H2O3(977)(+M)<=>H(5)+C2H2O3(976)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.845e+00 -2.663e-01 -1.410e-01 -4.913e-02 / + CHEB/ 5.833e+00 2.718e-01 1.351e-01 3.994e-02 / + CHEB/ 3.934e-01 -7.887e-02 -3.120e-02 -2.660e-03 / + CHEB/ -1.511e-02 4.028e-02 1.538e-02 9.429e-04 / + CHEB/ 3.269e-03 8.857e-03 7.131e-03 4.034e-03 / + CHEB/ -7.745e-03 6.495e-03 3.249e-03 1.127e-03 / + +! Reaction index: Chemkin #2744; RMG #8995 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), C2H2O3(976); OH(3), H(5); +OH(3)+OCHCHO(52)(+M)<=>H(5)+C2H2O3(976)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.423e+00 -8.721e-02 -5.149e-02 -2.244e-02 / + CHEB/ 8.066e+00 6.718e-02 3.908e-02 1.650e-02 / + CHEB/ 3.756e-01 -1.725e-02 -9.386e-03 -3.368e-03 / + CHEB/ 5.896e-02 1.632e-02 8.974e-03 3.323e-03 / + CHEB/ 4.861e-02 5.266e-03 3.176e-03 1.436e-03 / + CHEB/ 8.296e-03 3.681e-03 2.082e-03 8.287e-04 / + +! Reaction index: Chemkin #2745; RMG #10061 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), C2H2O3(976); H(5), H(5); +H(5)+C2H2O3(1031)(+M)<=>H(5)+C2H2O3(976)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.701e+00 -4.832e-01 -2.041e-01 -4.658e-02 / + CHEB/ 3.226e+00 5.514e-01 2.028e-01 2.752e-02 / + CHEB/ 5.805e-01 -9.959e-02 -1.111e-02 1.288e-02 / + CHEB/ 7.708e-02 -6.280e-03 -8.619e-03 -1.465e-03 / + CHEB/ 5.067e-02 -3.427e-03 -3.168e-03 -2.698e-03 / + CHEB/ 1.179e-02 8.419e-03 3.882e-03 5.258e-04 / + +! Reaction index: Chemkin #2746; RMG #9072 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), C2H2O3(976); OH(3), H(5); +OH(3)+C2H2O2(1030)(+M)<=>H(5)+C2H2O3(976)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.938e+00 -4.368e-01 -1.934e-01 -4.797e-02 / + CHEB/ 2.064e+00 4.777e-01 1.849e-01 2.818e-02 / + CHEB/ 6.076e-01 -8.069e-02 -1.035e-02 1.120e-02 / + CHEB/ 1.240e-01 -4.089e-03 -6.366e-03 -1.406e-03 / + CHEB/ 6.706e-02 -2.984e-03 -2.346e-03 -1.956e-03 / + CHEB/ 1.854e-02 8.021e-03 3.709e-03 6.450e-04 / + +! Reaction index: Chemkin #2747; RMG #8940 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), C2H3O2(1042); H(5), O(16); +H(5)+C2H2O3(976)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.838e+01 -4.115e-02 -2.491e-02 -1.141e-02 / + CHEB/ 2.854e+01 4.149e-02 2.494e-02 1.127e-02 / + CHEB/ 1.216e+00 -4.284e-03 -2.448e-03 -9.906e-04 / + CHEB/ 5.428e-01 -5.953e-04 -3.948e-04 -2.116e-04 / + CHEB/ 1.711e-01 -1.276e-03 -7.520e-04 -3.265e-04 / + CHEB/ 3.262e-02 2.915e-04 1.668e-04 6.768e-05 / + +! Reaction index: Chemkin #2748; RMG #8953 +! PDep reaction: PDepNetwork #213 +! Flux pairs: H(5), C2H3O3(1011); C2H2O3(977), C2H3O3(1011); +H(5)+C2H2O3(977)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.604e+00 1.175e+00 -1.775e-01 -5.779e-02 / + CHEB/ 3.452e+00 3.312e-01 1.566e-01 4.061e-02 / + CHEB/ 2.140e-01 -8.647e-02 -2.978e-02 1.094e-03 / + CHEB/ 6.465e-02 4.028e-02 1.295e-02 -1.153e-03 / + CHEB/ 2.842e-02 1.558e-02 1.061e-02 4.810e-03 / + CHEB/ -3.634e-02 1.084e-02 5.520e-03 1.922e-03 / + +! Reaction index: Chemkin #2749; RMG #8954 +! PDep reaction: PDepNetwork #213 +! Flux pairs: H(5), HOCH2OCO(96); C2H2O3(977), HOCH2OCO(96); +H(5)+C2H2O3(977)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.708e-01 7.229e-02 -1.930e-01 -4.725e-02 / + CHEB/ 6.231e+00 7.777e-01 3.707e-02 3.335e-02 / + CHEB/ 1.661e-01 2.293e-01 -5.308e-02 -1.563e-02 / + CHEB/ -8.979e-02 1.365e-01 3.328e-02 -8.423e-03 / + CHEB/ 5.382e-05 1.040e-03 2.895e-02 1.068e-03 / + CHEB/ 1.767e-02 -2.363e-02 1.368e-02 3.682e-03 / + +! Reaction index: Chemkin #2750; RMG #8955 +! PDep reaction: PDepNetwork #213 +! Flux pairs: H(5), OCH2OCHO(93); C2H2O3(977), OCH2OCHO(93); +H(5)+C2H2O3(977)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.841e-01 1.051e+00 -2.258e-01 -6.625e-02 / + CHEB/ 5.144e+00 5.026e-01 2.203e-01 5.003e-02 / + CHEB/ 4.598e-01 -1.225e-01 -3.858e-02 2.175e-03 / + CHEB/ 1.889e-01 2.834e-02 7.092e-03 -2.181e-03 / + CHEB/ 1.307e-01 1.497e-02 9.000e-03 3.566e-03 / + CHEB/ 3.984e-02 1.206e-02 6.044e-03 1.888e-03 / + +! Reaction index: Chemkin #2751; RMG #8956 +! PDep reaction: PDepNetwork #213 +! Flux pairs: C2H2O3(977), C2H3O2(1046); H(5), O-2(1040); +H(5)+C2H2O3(977)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.655e+01 -3.486e-03 -2.139e-03 -1.007e-03 / + CHEB/ 3.909e+01 1.683e-05 -5.240e-06 -1.601e-05 / + CHEB/ -1.293e-04 2.645e-04 1.693e-04 8.560e-05 / + CHEB/ -1.157e-02 1.305e-04 7.930e-05 3.687e-05 / + CHEB/ -5.775e-03 3.708e-04 2.290e-04 1.091e-04 / + CHEB/ -2.395e-04 1.657e-04 1.019e-04 4.817e-05 / + +! Reaction index: Chemkin #2752; RMG #8957 +! PDep reaction: PDepNetwork #213 +! Flux pairs: C2H2O3(977), OC1[CH]O1(1140); H(5), O(16); +H(5)+C2H2O3(977)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.850e+01 -4.352e-03 -2.666e-03 -1.253e-03 / + CHEB/ 3.344e+01 -2.505e-04 -1.772e-04 -1.028e-04 / + CHEB/ 7.953e-02 2.252e-04 1.486e-04 7.813e-05 / + CHEB/ 3.052e-02 3.191e-04 1.949e-04 9.148e-05 / + CHEB/ 2.695e-02 6.051e-04 3.730e-04 1.770e-04 / + CHEB/ 2.233e-02 3.107e-04 1.907e-04 8.991e-05 / + +! Reaction index: Chemkin #2753; RMG #8959 +! PDep reaction: PDepNetwork #213 +! Flux pairs: C2H2O3(977), CH2OCHO(97); H(5), O(16); +H(5)+C2H2O3(977)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.479e+01 -9.112e-03 -5.578e-03 -2.621e-03 / + CHEB/ 2.755e+01 1.987e-03 1.187e-03 5.386e-04 / + CHEB/ 3.390e-01 -5.456e-04 -3.255e-04 -1.477e-04 / + CHEB/ 1.266e-01 8.451e-04 5.172e-04 2.428e-04 / + CHEB/ 6.015e-02 1.035e-03 6.356e-04 2.993e-04 / + CHEB/ 2.718e-02 5.947e-04 3.637e-04 1.702e-04 / + +! Reaction index: Chemkin #2754; RMG #9093 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), C2H3O3(1011); +C2H3O3(1012)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.780e+00 2.571e+00 -2.341e-01 -7.058e-02 / + CHEB/ 3.961e+00 3.976e-01 1.795e-01 4.049e-02 / + CHEB/ -1.232e-01 -6.559e-02 -1.475e-02 7.989e-03 / + CHEB/ -7.757e-02 3.838e-02 9.479e-03 -3.421e-03 / + CHEB/ -5.400e-02 1.821e-02 1.091e-02 3.784e-03 / + CHEB/ -7.366e-02 1.458e-02 7.151e-03 2.202e-03 / + +! Reaction index: Chemkin #2755; RMG #8966 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), C2H3O3(1032); +C2H3O3(1011)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.834e+00 2.018e+00 -3.061e-01 -5.172e-02 / + CHEB/ 1.150e+01 9.337e-01 1.792e-01 5.738e-05 / + CHEB/ -1.805e-02 -3.586e-02 3.723e-02 4.326e-03 / + CHEB/ 5.922e-02 -1.354e-02 1.352e-02 1.280e-02 / + CHEB/ 8.237e-02 -1.349e-02 -3.721e-03 4.903e-03 / + CHEB/ -9.629e-03 1.248e-02 4.158e-04 -1.691e-03 / + +! Reaction index: Chemkin #2756; RMG #8967 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), C2H3O3(1066); +C2H3O3(1011)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.400e+01 5.762e-01 -3.562e-01 -2.746e-02 / + CHEB/ 1.495e+01 2.000e+00 2.114e-01 7.141e-04 / + CHEB/ 4.351e-01 9.939e-02 -3.058e-02 -1.342e-02 / + CHEB/ -4.190e-02 -4.579e-02 -1.860e-02 4.259e-03 / + CHEB/ -2.177e-02 -2.797e-02 2.830e-02 1.264e-02 / + CHEB/ -2.505e-02 1.104e-02 2.694e-02 2.672e-03 / + +! Reaction index: Chemkin #2757; RMG #9016 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), C2H3O3(1011); +C2H3O3(1043)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.203e+01 1.092e+00 -2.881e-01 -4.184e-04 / + CHEB/ 1.811e+01 2.180e+00 2.840e-01 -1.723e-02 / + CHEB/ 1.627e+00 -1.282e-01 -2.692e-02 4.819e-03 / + CHEB/ 5.896e-01 -2.967e-02 4.712e-02 1.739e-02 / + CHEB/ 3.145e-01 -3.410e-02 1.090e-02 -5.369e-03 / + CHEB/ 1.341e-01 -3.622e-02 -2.170e-02 -2.523e-03 / + +! Reaction index: Chemkin #2758; RMG #8969 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), O-2(1040); C2H3O3(1011), C2H3O2(1046); +C2H3O3(1011)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.069e+01 1.518e+00 -1.866e-03 -8.850e-04 / + CHEB/ 4.647e+01 9.121e-04 5.594e-04 2.634e-04 / + CHEB/ 9.874e-02 1.998e-04 1.229e-04 5.805e-05 / + CHEB/ 8.590e-02 -1.797e-04 -1.105e-04 -5.217e-05 / + CHEB/ 2.103e-02 2.270e-05 1.422e-05 6.926e-06 / + CHEB/ -2.832e-02 -3.538e-05 -2.175e-05 -1.026e-05 / + +! Reaction index: Chemkin #2759; RMG #8970 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), O(16); C2H3O3(1011), OC1[CH]O1(1140); +C2H3O3(1011)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.242e+01 1.517e+00 -2.290e-03 -1.084e-03 / + CHEB/ 4.077e+01 1.470e-03 9.003e-04 4.234e-04 / + CHEB/ 1.581e-01 6.229e-05 3.788e-05 1.714e-05 / + CHEB/ 1.198e-01 -1.952e-04 -1.197e-04 -5.624e-05 / + CHEB/ 5.128e-02 2.205e-05 1.413e-05 7.115e-06 / + CHEB/ -7.074e-03 -2.046e-05 -1.251e-05 -5.811e-06 / + +! Reaction index: Chemkin #2760; RMG #8972 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), O(16); C2H3O3(1011), C2H3O2(1046); +C2H3O3(1011)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.283e+01 1.509e+00 -7.090e-03 -3.328e-03 / + CHEB/ 3.262e+01 1.610e-03 9.609e-04 4.396e-04 / + CHEB/ 1.953e-01 -1.209e-03 -7.312e-04 -3.369e-04 / + CHEB/ 5.888e-02 1.317e-03 8.035e-04 3.744e-04 / + CHEB/ 2.850e-02 1.600e-03 9.781e-04 4.562e-04 / + CHEB/ -3.194e-02 9.973e-04 6.075e-04 2.818e-04 / + +! Reaction index: Chemkin #2761; RMG #8990 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), C2H3O3(1011); OCHCHO(52), C2H3O3(1011); +OH(3)+OCHCHO(52)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.531e+00 1.424e+00 -5.666e-02 -2.456e-02 / + CHEB/ 7.156e+00 6.277e-02 3.650e-02 1.540e-02 / + CHEB/ 3.086e-01 -1.793e-02 -9.742e-03 -3.485e-03 / + CHEB/ 9.781e-02 1.893e-02 1.035e-02 3.783e-03 / + CHEB/ 6.120e-02 7.858e-03 4.568e-03 1.922e-03 / + CHEB/ -2.095e-02 5.349e-03 2.980e-03 1.146e-03 / + +! Reaction index: Chemkin #2762; RMG #10044 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), C2H3O3(1011); C2H2O3(1031), C2H3O3(1011); +H(5)+C2H2O3(1031)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.964e+00 9.935e-01 -2.204e-01 -4.957e-02 / + CHEB/ 1.855e+00 5.677e-01 2.014e-01 2.354e-02 / + CHEB/ 4.658e-01 -8.762e-02 -4.177e-03 1.419e-02 / + CHEB/ 1.301e-01 -4.673e-03 -5.872e-03 7.114e-04 / + CHEB/ 7.019e-02 -3.703e-03 -3.222e-03 -2.341e-03 / + CHEB/ -1.418e-02 9.662e-03 4.015e-03 2.252e-04 / + +! Reaction index: Chemkin #2763; RMG #9067 +! PDep reaction: PDepNetwork #310 +! Flux pairs: OH(3), C2H3O3(1011); C2H2O2(1030), C2H3O3(1011); +OH(3)+C2H2O2(1030)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.074e+00 1.053e+00 -2.068e-01 -5.125e-02 / + CHEB/ 9.119e-01 4.800e-01 1.812e-01 2.472e-02 / + CHEB/ 4.994e-01 -7.280e-02 -6.261e-03 1.191e-02 / + CHEB/ 1.644e-01 -1.122e-03 -3.798e-03 1.413e-04 / + CHEB/ 8.267e-02 -2.324e-03 -1.810e-03 -1.512e-03 / + CHEB/ -9.271e-03 9.241e-03 4.067e-03 5.806e-04 / + +! Reaction index: Chemkin #2764; RMG #8977 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), O(16); C2H3O3(1011), C2H3O2(1042); +C2H3O3(1011)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.105e+01 1.478e+00 -2.564e-02 -1.174e-02 / + CHEB/ 3.549e+01 4.154e-02 2.495e-02 1.126e-02 / + CHEB/ 1.112e+00 -3.807e-03 -2.161e-03 -8.599e-04 / + CHEB/ 5.637e-01 -3.780e-04 -2.611e-04 -1.484e-04 / + CHEB/ 1.890e-01 -1.323e-03 -7.774e-04 -3.352e-04 / + CHEB/ 1.673e-02 2.336e-04 1.317e-04 5.154e-05 / + +! Reaction index: Chemkin #2765; RMG #8991 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), HOCH2OCO(96); OCHCHO(52), HOCH2OCO(96); +OH(3)+OCHCHO(52)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.378e+00 5.021e-01 -1.816e-01 -1.034e-02 / + CHEB/ 7.925e+00 6.766e-01 8.312e-03 -1.701e-02 / + CHEB/ 2.133e-01 1.630e-01 3.895e-02 -2.125e-02 / + CHEB/ 4.732e-02 3.109e-02 3.597e-02 7.503e-03 / + CHEB/ 7.789e-02 -3.067e-02 1.006e-02 8.459e-03 / + CHEB/ 4.584e-02 -1.944e-02 -3.485e-03 4.348e-03 / + +! Reaction index: Chemkin #2766; RMG #8992 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), OCH2OCHO(93); OCHCHO(52), OCH2OCHO(93); +OH(3)+OCHCHO(52)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.108e+00 1.423e+00 -5.767e-02 -2.511e-02 / + CHEB/ 8.322e+00 6.670e-02 3.886e-02 1.647e-02 / + CHEB/ 5.577e-01 -1.778e-02 -9.667e-03 -3.464e-03 / + CHEB/ 2.465e-01 1.779e-02 9.705e-03 3.524e-03 / + CHEB/ 1.630e-01 6.909e-03 4.040e-03 1.720e-03 / + CHEB/ 5.420e-02 4.814e-03 2.688e-03 1.039e-03 / + +! Reaction index: Chemkin #2767; RMG #8993 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), C2H3O2(1046); OH(3), O-2(1040); +OH(3)+OCHCHO(52)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.612e+01 -3.459e-03 -2.122e-03 -9.995e-04 / + CHEB/ 3.466e+01 2.901e-05 2.571e-06 -1.203e-05 / + CHEB/ 2.755e-01 2.575e-04 1.650e-04 8.364e-05 / + CHEB/ 3.754e-02 1.143e-04 6.942e-05 3.227e-05 / + CHEB/ -1.322e-02 3.588e-04 2.217e-04 1.057e-04 / + CHEB/ -1.746e-02 1.637e-04 1.007e-04 4.767e-05 / + +! Reaction index: Chemkin #2768; RMG #8994 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), OC1[CH]O1(1140); OH(3), O(16); +OH(3)+OCHCHO(52)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.821e+01 -4.294e-03 -2.631e-03 -1.236e-03 / + CHEB/ 2.915e+01 -1.980e-04 -1.445e-04 -8.701e-05 / + CHEB/ 4.277e-01 2.213e-04 1.461e-04 7.699e-05 / + CHEB/ 1.167e-01 2.785e-04 1.700e-04 7.981e-05 / + CHEB/ 3.609e-02 5.579e-04 3.441e-04 1.634e-04 / + CHEB/ 1.051e-02 2.783e-04 1.709e-04 8.063e-05 / + +! Reaction index: Chemkin #2769; RMG #8997 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), CH2OCHO(97); OH(3), O(16); +OH(3)+OCHCHO(52)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.478e+01 -8.835e-03 -5.409e-03 -2.542e-03 / + CHEB/ 2.347e+01 2.200e-03 1.318e-03 6.000e-04 / + CHEB/ 7.743e-01 -5.562e-04 -3.321e-04 -1.509e-04 / + CHEB/ 2.500e-01 6.928e-04 4.242e-04 1.994e-04 / + CHEB/ 8.530e-02 8.615e-04 5.299e-04 2.500e-04 / + CHEB/ 2.313e-02 4.735e-04 2.898e-04 1.358e-04 / + +! Reaction index: Chemkin #2770; RMG #9030 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), C2H3O3(1032); +HOCH2OCO(96)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.112e+01 9.741e-01 -3.283e-01 -4.672e-02 / + CHEB/ 1.382e+01 1.277e+00 1.177e-01 4.743e-03 / + CHEB/ 1.320e-01 1.743e-01 -1.329e-02 5.629e-03 / + CHEB/ -3.881e-02 9.195e-02 2.253e-03 2.783e-04 / + CHEB/ 4.862e-02 4.803e-03 1.009e-02 -5.483e-03 / + CHEB/ 2.928e-02 -5.621e-03 1.428e-02 -1.449e-03 / + +! Reaction index: Chemkin #2771; RMG #9109 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), C2H3O3(1032); +OCH2OCHO(93)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.110e+01 1.938e+00 -3.542e-01 -6.402e-02 / + CHEB/ 1.212e+01 1.075e+00 2.515e-01 1.441e-02 / + CHEB/ 2.945e-01 -7.937e-02 2.646e-02 7.061e-03 / + CHEB/ 1.893e-01 -2.587e-02 4.223e-03 1.092e-02 / + CHEB/ 1.780e-01 -1.178e-02 -5.274e-03 2.901e-03 / + CHEB/ 6.234e-02 1.480e-02 1.771e-03 -1.796e-03 / + +! Reaction index: Chemkin #2772; RMG #9006 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), O-2(1040); C2H3O3(1032), C2H3O2(1046); +C2H3O3(1032)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.272e+01 1.480e+00 -2.426e-02 -1.065e-02 / + CHEB/ 4.792e+01 4.368e-02 2.537e-02 1.066e-02 / + CHEB/ 1.341e-01 -1.291e-02 -7.162e-03 -2.700e-03 / + CHEB/ 6.608e-02 5.998e-05 -2.245e-04 -3.280e-04 / + CHEB/ 4.014e-02 -1.042e-03 -5.657e-04 -2.056e-04 / + CHEB/ -3.409e-03 3.694e-04 2.136e-04 9.011e-05 / + +! Reaction index: Chemkin #2773; RMG #9007 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), O(16); C2H3O3(1032), OC1[CH]O1(1140); +C2H3O3(1032)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.444e+01 1.460e+00 -3.509e-02 -1.470e-02 / + CHEB/ 4.228e+01 6.649e-02 3.740e-02 1.466e-02 / + CHEB/ 2.374e-01 -1.932e-02 -1.009e-02 -3.253e-03 / + CHEB/ 1.310e-01 1.447e-04 -4.912e-04 -6.954e-04 / + CHEB/ 8.717e-02 -1.204e-03 -5.860e-04 -1.614e-04 / + CHEB/ 2.631e-02 6.568e-04 3.773e-04 1.590e-04 / + +! Reaction index: Chemkin #2774; RMG #9010 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), O(16); C2H3O3(1032), CH2OCHO(97); +C2H3O3(1032)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.048e+01 1.424e+00 -5.431e-02 -2.116e-02 / + CHEB/ 3.635e+01 1.068e-01 5.710e-02 1.995e-02 / + CHEB/ 4.880e-01 -2.878e-02 -1.348e-02 -3.044e-03 / + CHEB/ 2.350e-01 -3.182e-04 -1.430e-03 -1.549e-03 / + CHEB/ 1.307e-01 -1.215e-03 -4.652e-04 -5.072e-05 / + CHEB/ 4.001e-02 1.314e-03 7.545e-04 3.220e-04 / + +! Reaction index: Chemkin #2775; RMG #9017 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), HOCH2OCO(96); +C2H3O3(1043)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.457e+01 5.331e-01 -2.661e-01 1.797e-03 / + CHEB/ 1.983e+01 2.468e+00 1.727e-01 -2.406e-02 / + CHEB/ 1.435e+00 1.518e-01 3.148e-02 9.759e-03 / + CHEB/ 4.582e-01 4.249e-02 7.428e-02 -4.059e-03 / + CHEB/ 3.156e-01 -1.020e-01 -7.473e-03 -9.758e-04 / + CHEB/ 1.975e-01 -8.868e-02 -2.217e-02 6.884e-03 / + +! Reaction index: Chemkin #2776; RMG #9111 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), C2H3O3(1043); +OCH2OCHO(93)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.451e+01 1.347e+00 -2.814e-01 -1.632e-02 / + CHEB/ 1.780e+01 1.735e+00 2.151e-01 -7.441e-03 / + CHEB/ 1.072e+00 -1.038e-01 -2.959e-02 -5.288e-03 / + CHEB/ 2.160e-01 2.003e-02 6.664e-02 1.798e-02 / + CHEB/ 1.433e-01 1.168e-02 2.200e-02 1.786e-03 / + CHEB/ 9.769e-02 -5.489e-03 -9.471e-03 2.567e-03 / + +! Reaction index: Chemkin #2777; RMG #9019 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), O-2(1040); C2H3O3(1043), C2H3O2(1046); +C2H3O3(1043)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.239e+01 1.510e+00 -6.740e-03 -3.182e-03 / + CHEB/ 4.780e+01 9.045e-03 5.541e-03 2.600e-03 / + CHEB/ 4.946e-01 -9.788e-04 -5.871e-04 -2.640e-04 / + CHEB/ 7.786e-02 -1.074e-04 -6.973e-05 -3.626e-05 / + CHEB/ -4.251e-02 4.923e-05 3.106e-05 1.535e-05 / + CHEB/ -4.120e-02 5.860e-05 3.585e-05 1.679e-05 / + +! Reaction index: Chemkin #2778; RMG #9020 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), O(16); C2H3O3(1043), OC1[CH]O1(1140); +C2H3O3(1043)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.529e+01 1.504e+00 -1.046e-02 -4.924e-03 / + CHEB/ 4.268e+01 1.533e-02 9.382e-03 4.390e-03 / + CHEB/ 8.593e-01 -1.691e-03 -1.012e-03 -4.531e-04 / + CHEB/ 2.339e-01 -1.150e-04 -7.732e-05 -4.251e-05 / + CHEB/ -1.869e-03 -1.357e-04 -8.138e-05 -3.662e-05 / + CHEB/ -2.710e-02 9.147e-05 5.545e-05 2.547e-05 / + +! Reaction index: Chemkin #2779; RMG #9023 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), O(16); C2H3O3(1043), CH2OCHO(97); +C2H3O3(1043)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.289e+01 1.484e+00 -2.201e-02 -1.015e-02 / + CHEB/ 3.746e+01 3.747e-02 2.262e-02 1.031e-02 / + CHEB/ 1.475e+00 -4.973e-03 -2.903e-03 -1.232e-03 / + CHEB/ 4.994e-01 -9.864e-04 -6.318e-04 -3.210e-04 / + CHEB/ 6.269e-02 -1.074e-03 -6.400e-04 -2.844e-04 / + CHEB/ -3.780e-02 3.548e-04 2.080e-04 8.920e-05 / + +! Reaction index: Chemkin #2780; RMG #9094 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), HOCH2OCO(96); +C2H3O3(1012)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.209e+00 1.439e+00 -2.072e-01 -5.274e-02 / + CHEB/ 7.370e+00 6.494e-01 5.256e-02 3.847e-02 / + CHEB/ 1.528e-01 1.739e-01 -6.914e-02 -6.523e-03 / + CHEB/ -1.771e-01 1.564e-01 9.656e-03 -6.478e-03 / + CHEB/ -1.038e-01 4.008e-02 1.925e-02 -2.420e-04 / + CHEB/ -4.970e-02 1.810e-04 1.534e-02 8.108e-04 / + +! Reaction index: Chemkin #2781; RMG #9031 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), C2H3O3(1066); +HOCH2OCO(96)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.667e+01 -1.179e-01 -3.618e-01 -1.710e-02 / + CHEB/ 1.687e+01 2.207e+00 1.327e-01 -1.871e-03 / + CHEB/ 3.792e-01 1.605e-01 -7.705e-02 -1.459e-02 / + CHEB/ -1.688e-01 6.004e-02 4.907e-02 1.337e-02 / + CHEB/ -1.930e-02 1.082e-02 5.221e-02 4.223e-03 / + CHEB/ 4.080e-02 -1.105e-02 6.815e-03 -8.675e-04 / + +! Reaction index: Chemkin #2782; RMG #9033 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), O-2(1040); HOCH2OCO(96), C2H3O2(1046); +HOCH2OCO(96)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.123e+01 1.432e+00 -5.039e-02 -2.009e-02 / + CHEB/ 4.636e+01 8.632e-02 4.691e-02 1.700e-02 / + CHEB/ -8.642e-03 -8.764e-03 -3.226e-03 1.867e-04 / + CHEB/ 4.232e-02 8.527e-04 -9.984e-05 -5.001e-04 / + CHEB/ 6.793e-02 -7.190e-03 -3.918e-03 -1.445e-03 / + CHEB/ 4.754e-02 -8.050e-04 -6.003e-04 -3.665e-04 / + +! Reaction index: Chemkin #2783; RMG #9034 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), O(16); HOCH2OCO(96), OC1[CH]O1(1140); +HOCH2OCO(96)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.299e+01 1.373e+00 -7.844e-02 -2.722e-02 / + CHEB/ 4.070e+01 1.430e-01 7.097e-02 2.046e-02 / + CHEB/ 4.851e-02 -8.790e-03 -2.971e-04 3.340e-03 / + CHEB/ 7.533e-02 -2.255e-04 -1.273e-03 -1.196e-03 / + CHEB/ 9.537e-02 -1.118e-02 -5.657e-03 -1.776e-03 / + CHEB/ 6.843e-02 -1.381e-03 -1.109e-03 -7.037e-04 / + +! Reaction index: Chemkin #2784; RMG #9036 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), O(16); HOCH2OCO(96), C2H3O2(1046); +HOCH2OCO(96)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.350e+01 1.192e+00 -1.443e-01 -3.150e-02 / + CHEB/ 3.265e+01 2.857e-01 1.039e-01 6.862e-03 / + CHEB/ 9.143e-02 9.686e-03 1.864e-02 1.248e-02 / + CHEB/ 1.214e-02 -2.002e-03 -1.829e-03 3.055e-04 / + CHEB/ 6.440e-02 -2.064e-02 -7.932e-03 -8.888e-04 / + CHEB/ 4.129e-02 -4.541e-03 -3.377e-03 -1.686e-03 / + +! Reaction index: Chemkin #2785; RMG #10045 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), HOCH2OCO(96); C2H2O3(1031), HOCH2OCO(96); +H(5)+C2H2O3(1031)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.733e+00 1.792e-02 -2.888e-01 -4.283e-02 / + CHEB/ 3.096e+00 1.227e+00 1.358e-01 1.009e-02 / + CHEB/ 3.459e-01 1.465e-01 2.247e-02 -7.718e-03 / + CHEB/ 3.977e-02 8.989e-03 3.187e-02 -3.204e-03 / + CHEB/ 7.722e-02 -4.858e-02 1.023e-02 5.040e-03 / + CHEB/ 5.358e-02 -2.230e-02 -1.513e-03 6.194e-03 / + +! Reaction index: Chemkin #2786; RMG #9068 +! PDep reaction: PDepNetwork #310 +! Flux pairs: OH(3), HOCH2OCO(96); C2H2O2(1030), HOCH2OCO(96); +OH(3)+C2H2O2(1030)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.997e+00 7.638e-02 -2.924e-01 -4.075e-02 / + CHEB/ 1.939e+00 1.126e+00 1.244e-01 6.197e-03 / + CHEB/ 4.075e-01 1.446e-01 2.576e-02 -1.002e-02 / + CHEB/ 9.601e-02 1.497e-02 2.907e-02 -1.989e-03 / + CHEB/ 9.157e-02 -4.202e-02 9.667e-03 5.171e-03 / + CHEB/ 5.696e-02 -1.966e-02 -7.730e-04 5.706e-03 / + +! Reaction index: Chemkin #2787; RMG #9041 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), O(16); HOCH2OCO(96), C2H3O2(1042); +HOCH2OCO(96)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.169e+01 1.217e+00 -1.433e-01 -3.876e-02 / + CHEB/ 3.550e+01 3.090e-01 1.326e-01 2.616e-02 / + CHEB/ 1.001e+00 -2.296e-03 1.164e-02 1.115e-02 / + CHEB/ 5.142e-01 -7.565e-03 -5.318e-03 -1.600e-03 / + CHEB/ 2.270e-01 -2.213e-02 -1.020e-02 -2.658e-03 / + CHEB/ 9.204e-02 -3.302e-03 -2.911e-03 -1.828e-03 / + +! Reaction index: Chemkin #2788; RMG #9054 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), C2H3O3(1011); C2H2O2(1070), C2H3O3(1011); +OH(3)+C2H2O2(1070)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.464e+01 1.076e+00 -1.666e-01 -3.139e-02 / + CHEB/ 1.407e+01 5.365e-01 1.795e-01 2.204e-02 / + CHEB/ 1.596e+00 -7.884e-02 -5.774e-03 8.813e-03 / + CHEB/ 6.635e-01 -4.399e-02 -2.168e-02 -4.320e-03 / + CHEB/ 1.810e-01 -8.878e-03 -7.393e-03 -3.853e-03 / + CHEB/ -2.453e-02 6.896e-03 1.791e-03 -6.406e-04 / + +! Reaction index: Chemkin #2789; RMG #9055 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), HOCH2OCO(96); C2H2O2(1070), HOCH2OCO(96); +OH(3)+C2H2O2(1070)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.592e+01 6.850e-01 -2.998e-01 -4.280e-02 / + CHEB/ 1.438e+01 9.452e-01 2.925e-01 1.511e-02 / + CHEB/ 1.406e+00 -7.280e-02 2.199e-02 2.386e-02 / + CHEB/ 6.079e-01 -6.416e-02 -2.977e-02 -2.897e-03 / + CHEB/ 2.242e-01 -3.830e-02 -1.878e-02 -5.597e-03 / + CHEB/ 5.639e-02 7.622e-04 -3.883e-03 -3.630e-03 / + +! Reaction index: Chemkin #2790; RMG #9056 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), OCH2OCHO(93); C2H2O2(1070), OCH2OCHO(93); +OH(3)+C2H2O2(1070)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.892e+01 1.085e+00 -1.642e-01 -3.129e-02 / + CHEB/ 1.526e+01 5.317e-01 1.793e-01 2.274e-02 / + CHEB/ 1.849e+00 -8.341e-02 -7.861e-03 8.435e-03 / + CHEB/ 8.046e-01 -4.338e-02 -2.197e-02 -4.688e-03 / + CHEB/ 2.674e-01 -7.666e-03 -6.912e-03 -3.825e-03 / + CHEB/ 3.738e-02 7.199e-03 2.089e-03 -4.967e-04 / + +! Reaction index: Chemkin #2791; RMG #9057 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), C2H3O2(1046); OH(3), O-2(1040); +OH(3)+C2H2O2(1070)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.332e+01 -1.239e-02 -7.612e-03 -3.593e-03 / + CHEB/ 3.235e+01 6.495e-03 3.978e-03 1.865e-03 / + CHEB/ 7.668e-01 -3.083e-03 -1.877e-03 -8.698e-04 / + CHEB/ 1.434e-01 -1.674e-03 -1.029e-03 -4.860e-04 / + CHEB/ -4.297e-02 -9.765e-04 -5.961e-04 -2.777e-04 / + CHEB/ -4.890e-02 -5.113e-04 -3.115e-04 -1.445e-04 / + +! Reaction index: Chemkin #2792; RMG #9058 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), OC1[CH]O1(1140); OH(3), O(16); +OH(3)+C2H2O2(1070)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.680e+01 -1.913e-02 -1.174e-02 -5.529e-03 / + CHEB/ 2.761e+01 1.291e-02 7.903e-03 3.701e-03 / + CHEB/ 1.219e+00 -4.059e-03 -2.461e-03 -1.131e-03 / + CHEB/ 2.895e-01 -2.042e-03 -1.256e-03 -5.936e-04 / + CHEB/ -2.191e-02 -1.348e-03 -8.216e-04 -3.815e-04 / + CHEB/ -4.143e-02 -4.910e-04 -2.981e-04 -1.374e-04 / + +! Reaction index: Chemkin #2793; RMG #9059 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), C2H2O3(976); OH(3), H(5); +OH(3)+C2H2O2(1070)(+M)<=>H(5)+C2H2O3(976)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.142e+01 -4.109e-01 -1.569e-01 -3.079e-02 / + CHEB/ 1.488e+01 5.138e-01 1.769e-01 2.412e-02 / + CHEB/ 1.598e+00 -9.419e-02 -1.319e-02 7.357e-03 / + CHEB/ 5.633e-01 -3.992e-02 -2.185e-02 -5.422e-03 / + CHEB/ 1.136e-01 -4.040e-03 -5.256e-03 -3.543e-03 / + CHEB/ -3.446e-02 7.645e-03 2.788e-03 -7.177e-05 / + +! Reaction index: Chemkin #2794; RMG #9060 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), CO2(9); OH(3), CH3O(27); +OH(3)+C2H2O2(1070)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.067e+01 -3.863e-01 -1.310e-01 -1.574e-02 / + CHEB/ 1.390e+01 3.908e-01 1.022e-01 -5.558e-03 / + CHEB/ 1.026e+00 -5.807e-02 2.119e-04 8.541e-03 / + CHEB/ 3.262e-01 -2.868e-02 -1.513e-02 -2.844e-03 / + CHEB/ 6.893e-02 1.293e-03 -1.524e-03 -1.929e-03 / + CHEB/ 1.746e-03 6.565e-03 3.030e-03 4.483e-04 / + +! Reaction index: Chemkin #2795; RMG #9061 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), CH2OCHO(97); OH(3), O(16); +OH(3)+C2H2O2(1070)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.530e+01 -4.550e-02 -2.761e-02 -1.271e-02 / + CHEB/ 2.309e+01 4.496e-02 2.711e-02 1.233e-02 / + CHEB/ 1.987e+00 -1.040e-02 -6.194e-03 -2.745e-03 / + CHEB/ 5.148e-01 -4.315e-03 -2.653e-03 -1.252e-03 / + CHEB/ -1.119e-02 -2.020e-03 -1.221e-03 -5.585e-04 / + CHEB/ -7.049e-02 2.768e-04 1.577e-04 6.349e-05 / + +! Reaction index: Chemkin #2796; RMG #9069 +! PDep reaction: PDepNetwork #310 +! Flux pairs: OH(3), OCH2OCHO(93); C2H2O2(1030), OCH2OCHO(93); +OH(3)+C2H2O2(1030)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.382e-01 1.053e+00 -2.076e-01 -5.225e-02 / + CHEB/ 2.133e+00 4.871e-01 1.865e-01 2.745e-02 / + CHEB/ 7.610e-01 -7.485e-02 -7.317e-03 1.168e-02 / + CHEB/ 3.138e-01 -2.685e-03 -4.898e-03 -4.265e-04 / + CHEB/ 1.848e-01 -2.845e-03 -2.146e-03 -1.700e-03 / + CHEB/ 6.586e-02 8.898e-03 3.945e-03 5.760e-04 / + +! Reaction index: Chemkin #2797; RMG #9070 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), C2H3O2(1046); OH(3), O-2(1040); +OH(3)+C2H2O2(1030)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.866e+01 -4.032e-02 -2.388e-02 -1.048e-02 / + CHEB/ 2.999e+01 4.420e-02 2.570e-02 1.083e-02 / + CHEB/ 2.995e-01 -1.249e-02 -6.905e-03 -2.582e-03 / + CHEB/ 6.643e-02 3.713e-04 -3.314e-05 -2.378e-04 / + CHEB/ -1.922e-03 -8.312e-04 -4.366e-04 -1.452e-04 / + CHEB/ -1.036e-02 4.917e-04 2.889e-04 1.257e-04 / + +! Reaction index: Chemkin #2798; RMG #9071 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), OC1[CH]O1(1140); OH(3), O(16); +OH(3)+C2H2O2(1030)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.077e+01 -5.953e-02 -3.446e-02 -1.443e-02 / + CHEB/ 2.448e+01 6.705e-02 3.778e-02 1.488e-02 / + CHEB/ 4.505e-01 -1.890e-02 -9.841e-03 -3.145e-03 / + CHEB/ 1.445e-01 4.574e-04 -3.003e-04 -6.071e-04 / + CHEB/ 4.503e-02 -1.015e-03 -4.710e-04 -1.084e-04 / + CHEB/ 1.614e-02 7.421e-04 4.301e-04 1.844e-04 / + +! Reaction index: Chemkin #2799; RMG #9074 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), CH2OCHO(97); OH(3), O(16); +OH(3)+C2H2O2(1030)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.738e+01 -9.464e-02 -5.288e-02 -2.059e-02 / + CHEB/ 1.880e+01 1.077e-01 5.777e-02 2.038e-02 / + CHEB/ 7.992e-01 -2.842e-02 -1.329e-02 -2.977e-03 / + CHEB/ 2.803e-01 -9.325e-05 -1.300e-03 -1.498e-03 / + CHEB/ 9.376e-02 -1.141e-03 -4.237e-04 -3.398e-05 / + CHEB/ 2.789e-02 1.260e-03 7.255e-04 3.115e-04 / + +! Reaction index: Chemkin #2800; RMG #9110 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), C2H3O3(1066); +OCH2OCHO(93)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.707e+01 6.516e-01 -3.704e-01 -3.180e-02 / + CHEB/ 1.543e+01 2.044e+00 2.483e-01 8.972e-03 / + CHEB/ 6.983e-01 3.939e-02 -4.860e-02 -1.864e-02 / + CHEB/ 7.933e-02 -4.177e-02 -5.540e-03 8.189e-03 / + CHEB/ 7.596e-02 -1.395e-02 3.866e-02 1.333e-02 / + CHEB/ 4.968e-02 1.312e-02 2.235e-02 -1.020e-04 / + +! Reaction index: Chemkin #2801; RMG #9083 +! PDep reaction: PDepNetwork #336 +! Flux pairs: C2H3O3(1066), O-2(1040); C2H3O3(1066), C2H3O2(1046); +C2H3O3(1066)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.965e+01 1.515e+00 -3.616e-03 -1.712e-03 / + CHEB/ 5.381e+01 2.466e-03 1.509e-03 7.076e-04 / + CHEB/ 3.515e-01 2.504e-04 1.584e-04 7.873e-05 / + CHEB/ 1.254e-01 7.221e-05 4.390e-05 2.044e-05 / + CHEB/ 5.721e-02 1.076e-04 6.697e-05 3.234e-05 / + CHEB/ 2.092e-02 5.606e-05 3.430e-05 1.607e-05 / + +! Reaction index: Chemkin #2802; RMG #9084 +! PDep reaction: PDepNetwork #336 +! Flux pairs: C2H3O3(1066), O(16); C2H3O3(1066), OC1[CH]O1(1140); +C2H3O3(1066)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.187e+01 1.510e+00 -6.654e-03 -3.140e-03 / + CHEB/ 4.819e+01 7.010e-03 4.291e-03 2.010e-03 / + CHEB/ 5.315e-01 -5.702e-05 -2.558e-05 -3.587e-06 / + CHEB/ 2.689e-01 1.044e-04 6.266e-05 2.835e-05 / + CHEB/ 1.331e-01 -2.232e-05 -1.167e-05 -3.660e-06 / + CHEB/ 6.086e-02 1.158e-04 7.049e-05 3.268e-05 / + +! Reaction index: Chemkin #2803; RMG #9087 +! PDep reaction: PDepNetwork #336 +! Flux pairs: C2H3O3(1066), O(16); C2H3O3(1066), CH2OCHO(97); +C2H3O3(1066)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.842e+01 1.488e+00 -2.005e-02 -9.185e-03 / + CHEB/ 4.227e+01 3.022e-02 1.813e-02 8.169e-03 / + CHEB/ 8.223e-01 -1.818e-03 -9.947e-04 -3.600e-04 / + CHEB/ 4.485e-01 -1.728e-04 -1.266e-04 -7.760e-05 / + CHEB/ 2.265e-01 -1.179e-03 -6.947e-04 -3.011e-04 / + CHEB/ 1.020e-01 1.522e-04 8.474e-05 3.215e-05 / + +! Reaction index: Chemkin #2804; RMG #9095 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), OCH2OCHO(93); +C2H3O3(1012)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.855e+00 2.316e+00 -3.039e-01 -6.976e-02 / + CHEB/ 5.855e+00 6.984e-01 2.551e-01 3.586e-02 / + CHEB/ 2.217e-01 -8.619e-02 -1.509e-02 9.265e-03 / + CHEB/ 4.323e-02 8.844e-03 3.226e-03 -1.061e-03 / + CHEB/ 3.685e-02 8.710e-03 6.532e-03 3.248e-03 / + CHEB/ -3.639e-03 1.598e-02 6.492e-03 1.429e-03 / + +! Reaction index: Chemkin #2805; RMG #9096 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), O-2(1040); C2H3O3(1012), C2H3O2(1046); +C2H3O3(1012)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.429e+01 1.517e+00 -2.190e-03 -1.031e-03 / + CHEB/ 4.172e+01 -1.433e-04 -1.035e-04 -6.230e-05 / + CHEB/ 1.529e-01 1.614e-04 1.059e-04 5.569e-05 / + CHEB/ -1.345e-01 8.517e-05 5.153e-05 2.385e-05 / + CHEB/ -1.338e-01 3.684e-04 2.276e-04 1.085e-04 / + CHEB/ -7.621e-02 1.832e-04 1.127e-04 5.338e-05 / + +! Reaction index: Chemkin #2806; RMG #9097 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), O(16); C2H3O3(1012), OC1[CH]O1(1140); +C2H3O3(1012)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.595e+01 1.516e+00 -2.768e-03 -1.301e-03 / + CHEB/ 3.606e+01 -5.323e-04 -3.499e-04 -1.840e-04 / + CHEB/ 2.448e-01 5.963e-05 4.687e-05 3.020e-05 / + CHEB/ -7.540e-02 2.559e-04 1.562e-04 7.333e-05 / + CHEB/ -8.805e-02 6.034e-04 3.720e-04 1.766e-04 / + CHEB/ -4.698e-02 3.281e-04 2.015e-04 9.502e-05 / + +! Reaction index: Chemkin #2807; RMG #9100 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), O(16); C2H3O3(1012), CH2OCHO(97); +C2H3O3(1012)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.186e+01 1.511e+00 -5.889e-03 -2.767e-03 / + CHEB/ 3.008e+01 1.303e-03 7.689e-04 3.434e-04 / + CHEB/ 4.757e-01 -8.814e-04 -5.313e-04 -2.443e-04 / + CHEB/ 1.859e-02 7.896e-04 4.827e-04 2.261e-04 / + CHEB/ -4.753e-02 1.107e-03 6.795e-04 3.192e-04 / + CHEB/ -3.436e-02 6.725e-04 4.109e-04 1.918e-04 / + +! Reaction index: Chemkin #2808; RMG #9202 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), OCH2OCHO(93); +[O]C1OC1O(1092)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.266e+00 2.367e+00 -2.189e-01 -3.157e-02 / + CHEB/ 8.816e-01 7.645e-01 2.246e-01 1.954e-02 / + CHEB/ 3.935e-02 -7.082e-02 -4.202e-03 9.134e-03 / + CHEB/ 1.188e-01 -3.380e-02 -1.259e-02 -3.841e-03 / + CHEB/ 1.218e-01 -2.324e-02 -6.372e-03 4.193e-04 / + CHEB/ 5.060e-02 4.664e-03 2.809e-04 -2.578e-04 / + +! Reaction index: Chemkin #2809; RMG #9114 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), O-2(1040); OCH2OCHO(93), C2H3O2(1046); +OCH2OCHO(93)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.283e+01 1.518e+00 -1.930e-03 -9.156e-04 / + CHEB/ 4.660e+01 8.678e-04 5.320e-04 2.504e-04 / + CHEB/ 3.441e-01 1.463e-04 8.991e-05 4.231e-05 / + CHEB/ 2.150e-01 -2.306e-04 -1.419e-04 -6.714e-05 / + CHEB/ 1.090e-01 -1.315e-05 -7.926e-06 -3.628e-06 / + CHEB/ 4.158e-02 -5.761e-05 -3.548e-05 -1.681e-05 / + +! Reaction index: Chemkin #2810; RMG #9115 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), O(16); OCH2OCHO(93), OC1[CH]O1(1140); +OCH2OCHO(93)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.464e+01 1.517e+00 -2.383e-03 -1.128e-03 / + CHEB/ 4.091e+01 1.432e-03 8.769e-04 4.122e-04 / + CHEB/ 4.115e-01 -9.521e-07 -1.172e-06 -1.468e-06 / + CHEB/ 2.521e-01 -2.595e-04 -1.594e-04 -7.516e-05 / + CHEB/ 1.410e-01 -2.281e-05 -1.358e-05 -6.091e-06 / + CHEB/ 6.369e-02 -4.748e-05 -2.920e-05 -1.377e-05 / + +! Reaction index: Chemkin #2811; RMG #9117 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), O(16); OCH2OCHO(93), C2H3O2(1046); +OCH2OCHO(93)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.520e+01 1.509e+00 -7.205e-03 -3.384e-03 / + CHEB/ 3.278e+01 1.821e-03 1.090e-03 4.993e-04 / + CHEB/ 4.565e-01 -1.219e-03 -7.375e-04 -3.406e-04 / + CHEB/ 1.934e-01 1.188e-03 7.241e-04 3.369e-04 / + CHEB/ 1.188e-01 1.461e-03 8.935e-04 4.167e-04 / + CHEB/ 3.846e-02 8.971e-04 5.463e-04 2.533e-04 / + +! Reaction index: Chemkin #2812; RMG #10046 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), OCH2OCHO(93); C2H2O3(1031), OCH2OCHO(93); +H(5)+C2H2O3(1031)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.962e-01 9.935e-01 -2.225e-01 -5.149e-02 / + CHEB/ 3.132e+00 5.771e-01 2.093e-01 2.769e-02 / + CHEB/ 7.322e-01 -9.228e-02 -6.787e-03 1.346e-02 / + CHEB/ 2.774e-01 -6.245e-03 -7.209e-03 -7.353e-05 / + CHEB/ 1.721e-01 -3.867e-03 -3.350e-03 -2.485e-03 / + CHEB/ 6.065e-02 9.363e-03 3.974e-03 2.836e-04 / + +! Reaction index: Chemkin #2813; RMG #9122 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), O(16); OCH2OCHO(93), C2H3O2(1042); +OCH2OCHO(93)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.336e+01 1.478e+00 -2.557e-02 -1.172e-02 / + CHEB/ 3.571e+01 4.163e-02 2.501e-02 1.129e-02 / + CHEB/ 1.399e+00 -3.978e-03 -2.264e-03 -9.071e-04 / + CHEB/ 7.043e-01 -5.194e-04 -3.481e-04 -1.896e-04 / + CHEB/ 2.755e-01 -1.370e-03 -8.073e-04 -3.503e-04 / + CHEB/ 8.078e-02 2.177e-04 1.216e-04 4.658e-05 / + +! Reaction index: Chemkin #2814; RMG #9150 +! PDep reaction: PDepNetwork #368 +! Flux pairs: C2O(57), HCCO(53); OH(3), O(16); +OH(3)+C2O(57)(+M)<=>O(16)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.163e+00 -1.542e-06 -9.523e-07 -4.538e-07 / + CHEB/ 2.035e+00 1.965e-06 1.213e-06 5.781e-07 / + CHEB/ 2.643e-01 -6.595e-07 -4.071e-07 -1.939e-07 / + CHEB/ 6.687e-02 1.030e-07 6.354e-08 3.025e-08 / + CHEB/ 1.662e-02 4.188e-08 2.585e-08 1.231e-08 / + CHEB/ 2.083e-03 -9.297e-08 -5.737e-08 -2.731e-08 / + +! Reaction index: Chemkin #2815; RMG #9151 +! PDep reaction: PDepNetwork #368 +! Flux pairs: C2O(57), HCCO(53); OH(3), O-2(1040); +OH(3)+C2O(57)(+M)<=>O-2(1040)+HCCO(53)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.188e+01 -6.827e-04 -4.213e-04 -2.005e-04 / + CHEB/ 1.545e+01 6.212e-04 3.833e-04 1.823e-04 / + CHEB/ 6.348e-02 -1.781e-04 -1.098e-04 -5.214e-05 / + CHEB/ 3.676e-02 3.254e-05 2.006e-05 9.530e-06 / + CHEB/ 1.390e-02 9.634e-06 5.933e-06 2.812e-06 / + CHEB/ -2.666e-03 -9.750e-05 -6.016e-05 -2.862e-05 / + +! Reaction index: Chemkin #2816; RMG #9168 +! PDep reaction: PDepNetwork #377 +! Flux pairs: CH3O(27), CH2(S)(22); O(16), HO2(4); +O(16)+CH3O(27)(+M)<=>HO2(4)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.178e+00 -3.584e-02 -2.131e-02 -9.418e-03 / + CHEB/ 1.333e+01 3.455e-02 2.029e-02 8.730e-03 / + CHEB/ -2.177e-02 2.045e-04 3.527e-04 3.652e-04 / + CHEB/ -2.923e-02 -5.651e-05 -3.804e-05 -1.880e-05 / + CHEB/ -1.338e-02 -2.969e-04 -1.901e-04 -9.613e-05 / + CHEB/ -5.531e-03 -1.096e-03 -6.338e-04 -2.637e-04 / + +! Reaction index: Chemkin #2817; RMG #9176 +! PDep reaction: PDepNetwork #378 +! Flux pairs: C2H2(34), C2H2(34); O(16), O-2(1040); +O(16)+C2H2(34)(+M)<=>O-2(1040)+C2H2(34)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.459e+00 -3.118e-03 -1.921e-03 -9.107e-04 / + CHEB/ 1.427e+01 6.479e-04 3.982e-04 1.880e-04 / + CHEB/ -3.333e-04 -3.960e-04 -2.429e-04 -1.143e-04 / + CHEB/ 1.371e-02 1.307e-04 8.042e-05 3.807e-05 / + CHEB/ 6.391e-03 2.750e-04 1.692e-04 8.003e-05 / + CHEB/ 4.582e-03 2.229e-04 1.371e-04 6.479e-05 / + +! Reaction index: Chemkin #2818; RMG #9177 +! PDep reaction: PDepNetwork #378 +! Flux pairs: C2H2(34), HCO(13); O(16), CH(23); +O(16)+C2H2(34)(+M)<=>CH(23)+HCO(13)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.354e+00 -9.194e-03 -5.658e-03 -2.678e-03 / + CHEB/ 1.214e+01 1.341e-03 8.264e-04 3.920e-04 / + CHEB/ -4.124e-02 -1.807e-03 -1.107e-03 -5.185e-04 / + CHEB/ -2.315e-02 -6.321e-04 -3.878e-04 -1.824e-04 / + CHEB/ -2.040e-02 -7.495e-05 -4.595e-05 -2.159e-05 / + CHEB/ -5.268e-03 5.771e-05 3.530e-05 1.650e-05 / + +! Reaction index: Chemkin #2819; RMG #9184 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), O-2(1040); [O]C1OC1O(1092), C2H3O2(1046); +[O]C1OC1O(1092)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.668e+01 1.518e+00 -1.461e-03 -6.944e-04 / + CHEB/ 3.699e+01 4.933e-04 3.038e-04 1.440e-04 / + CHEB/ -6.259e-02 4.385e-04 2.700e-04 1.280e-04 / + CHEB/ -1.559e-02 -1.259e-04 -7.740e-05 -3.658e-05 / + CHEB/ -4.082e-02 5.191e-05 3.194e-05 1.511e-05 / + CHEB/ -1.157e-02 -4.646e-05 -2.862e-05 -1.357e-05 / + +! Reaction index: Chemkin #2820; RMG #9185 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), O(16); [O]C1OC1O(1092), OC1[CH]O1(1140); +[O]C1OC1O(1092)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.860e+01 1.518e+00 -1.581e-03 -7.511e-04 / + CHEB/ 3.134e+01 5.840e-04 3.596e-04 1.704e-04 / + CHEB/ 1.808e-02 4.684e-04 2.884e-04 1.366e-04 / + CHEB/ 2.623e-02 -1.389e-04 -8.538e-05 -4.032e-05 / + CHEB/ -7.751e-03 5.843e-05 3.591e-05 1.696e-05 / + CHEB/ 1.093e-02 -4.633e-05 -2.856e-05 -1.356e-05 / + +! Reaction index: Chemkin #2821; RMG #114 +! Library reaction: NOx2018 +! Flux pairs: CH3(7), C2H5(31); CH3(7), H(5); +CH3(7)+CH3(7)<=>H(5)+C2H5(31) 5.400000e+13 0.000 16.055 + +! Reaction index: Chemkin #2822; RMG #233 +! Library reaction: NOx2018 +! Flux pairs: H(5), C2H5(31); C2H4(24), C2H5(31); +! Reaction library: 'NOx2018' +H(5)+C2H4(24)(+M)<=>C2H5(31)(+M) 1.400e+09 1.463 1.355 +CO(8)/1.50/ H2(6)/2.00/ CO2(9)/3.00/ H2O(17)/10.00/ N2/1.20/ + LOW/ 2.000e+39 -6.642 5.769 / + TROE/ -5.690e-01 299 9.15e+03 152 / + +! Reaction index: Chemkin #2823; RMG #235 +! Library reaction: NOx2018 +! Flux pairs: C2H5(31), CH2O(12); O(16), CH3(7); +O(16)+C2H5(31)<=>CH2O(12)+CH3(7) 4.200000e+13 0.000 0.000 + +! Reaction index: Chemkin #2824; RMG #236 +! Library reaction: NOx2018 +! Flux pairs: C2H5(31), CH3CHO(40); O(16), H(5); +O(16)+C2H5(31)<=>H(5)+CH3CHO(40) 5.300000e+13 0.000 0.000 + +! Reaction index: Chemkin #2825; RMG #237 +! Library reaction: NOx2018 +! Flux pairs: C2H5(31), C2H4(24); O(16), OH(3); +O(16)+C2H5(31)<=>OH(3)+C2H4(24) 3.100000e+13 0.000 0.000 + +! Reaction index: Chemkin #2826; RMG #238 +! Library reaction: NOx2018 +! Flux pairs: C2H5(31), C2H4(24); OH(3), H2O(17); +OH(3)+C2H5(31)<=>H2O(17)+C2H4(24) 1.000e+00 0.000 0.000 + PLOG/ 0.001000 1.300e+19 -1.960 0.273 / + PLOG/ 0.010000 1.200e+19 -1.953 0.239 / + PLOG/ 0.100000 4.100e+19 -2.101 0.625 / + PLOG/ 1.000000 7.900e+22 -2.989 3.863 / + PLOG/ 10.000000 2.800e+24 -3.329 7.749 / + PLOG/ 100.000000 4.700e+18 -1.581 7.999 / + +! Reaction index: Chemkin #2827; RMG #239 +! Library reaction: NOx2018 +! Flux pairs: C2H5(31), CH2OH(26); OH(3), CH3(7); +OH(3)+C2H5(31)<=>CH3(7)+CH2OH(26) 1.000e+00 0.000 0.000 + PLOG/ 0.001000 9.200e+17 -1.299 2.505 / + PLOG/ 0.010000 1.100e+18 -1.321 2.569 / + PLOG/ 0.100000 5.700e+18 -1.518 3.185 / + PLOG/ 1.000000 6.500e+21 -2.352 6.023 / + PLOG/ 10.000000 1.900e+25 -3.249 10.576 / + PLOG/ 100.000000 6.500e+22 -2.443 12.647 / + +! Reaction index: Chemkin #2828; RMG #240 +! Library reaction: NOx2018 +! Flux pairs: C2H5(31), CH3CH2O(41); HO2(4), OH(3); +HO2(4)+C2H5(31)<=>OH(3)+CH3CH2O(41) 3.100000e+13 0.000 0.000 + +! Reaction index: Chemkin #2829; RMG #242 +! Library reaction: NOx2018 +! Flux pairs: C2H5(31), C2H4(24); O2(2), HO2(4); +O2(2)+C2H5(31)<=>HO2(4)+C2H4(24) 1.000e+00 0.000 0.000 + PLOG/ 0.000100 9.100e+00 2.870 -5.099 / + PLOG/ 0.000300 1.200e+01 2.840 -5.029 / + PLOG/ 0.001000 2.800e+01 2.730 -4.780 / + PLOG/ 0.003000 1.100e+02 2.560 -4.380 / + PLOG/ 0.010000 9.600e+02 2.300 -3.735 / + PLOG/ 0.030000 1.300e+04 1.980 -2.933 / + PLOG/ 0.100000 4.900e+05 1.540 -1.790 / + PLOG/ 0.300000 2.400e+07 1.070 -0.498 / + PLOG/ 1.000000 2.500e+09 0.510 1.157 / + PLOG/ 3.000000 1.400e+11 0.040 2.789 / + PLOG/ 10.000000 3.100e+12 -0.310 4.501 / + PLOG/ 30.000000 5.300e+12 -0.330 5.728 / + PLOG/ 100.000000 1.900e+11 0.140 6.373 / + +! Reaction index: Chemkin #2830; RMG #247 +! Library reaction: NOx2018 +! Flux pairs: C2H5(31), CH2CHO(45); HCO(13), CH3(7); +HCO(13)+C2H5(31)<=>CH3(7)+CH2CHO(45) 1.000e+00 0.000 0.000 + PLOG/ 0.001000 9.200e+17 -1.299 2.505 / + PLOG/ 0.010000 1.100e+18 -1.321 2.569 / + PLOG/ 0.100000 5.700e+18 -1.518 3.185 / + PLOG/ 1.000000 6.500e+21 -2.352 6.023 / + PLOG/ 10.000000 1.900e+25 -3.249 10.576 / + PLOG/ 100.000000 6.500e+22 -2.443 12.647 / + +! Reaction index: Chemkin #2831; RMG #248 +! Library reaction: NOx2018 +! Flux pairs: C2H5(31), C2H4(24); CH3(7), CH4(20); +CH3(7)+C2H5(31)<=>CH4(20)+C2H4(24) 9.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #2832; RMG #249 +! Library reaction: NOx2018 +! Flux pairs: C2H5(31), CH3CH2O(41); CH3OO(29), CH3O(27); +CH3OO(29)+C2H5(31)<=>CH3O(27)+CH3CH2O(41) 5.100000e+12 0.000 -1.410 + +! Reaction index: Chemkin #2833; RMG #378 +! Library reaction: NOx2018 +! Flux pairs: CH3CH2O(41), C2H5(31); CO(8), CO2(9); +CO(8)+CH3CH2O(41)<=>CO2(9)+C2H5(31) 9.500000e+25 -4.930 9.080 + +! Reaction index: Chemkin #2834; RMG #629 +! Library reaction: CurranPentane +! Flux pairs: C2H4(24), C2H5(31); C2H4(24), C2H3(32); +C2H4(24)+C2H4(24)<=>C2H3(32)+C2H5(31) 4.820000e+14 0.000 71.530 + +! Reaction index: Chemkin #2835; RMG #630 +! Library reaction: CurranPentane +! Flux pairs: C2H5(31), C2H4(24); H(5), H2(6); +H(5)+C2H5(31)<=>H2(6)+C2H4(24) 2.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #2836; RMG #631 +! Library reaction: CurranPentane +! Flux pairs: C2H5(31), CH3CHO(40); O2(2), OH(3); +O2(2)+C2H5(31)<=>OH(3)+CH3CHO(40) 1.000e+00 0.000 0.000 + PLOG/ 0.040000 4.908e-06 4.760 0.254 / + PLOG/ 1.000000 6.803e-02 3.570 2.643 / + PLOG/ 10.000000 8.265e+02 2.410 5.285 / + +! Reaction index: Chemkin #2837; RMG #654 +! Library reaction: CurranPentane +! Flux pairs: CH2CO(30), C2H5(31); CH3(7), CO(8); +CH3(7)+CH2CO(30)<=>CO(8)+C2H5(31) 4.769000e+04 2.312 9.468 + +! Reaction index: Chemkin #2838; RMG #7472 +! PDep reaction: PDepNetwork #3 +! Flux pairs: CH3CH2O(41), O(16); CH3CH2O(41), C2H5(31); +CH3CH2O(41)(+M)<=>O(16)+C2H5(31)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.665e+01 1.520e+00 -6.344e-04 -3.020e-04 / + CHEB/ 2.933e+01 1.350e-04 8.335e-05 3.969e-05 / + CHEB/ 6.404e-02 -1.684e-04 -1.038e-04 -4.931e-05 / + CHEB/ 8.644e-02 -1.880e-04 -1.160e-04 -5.512e-05 / + CHEB/ 4.029e-02 -8.401e-05 -5.180e-05 -2.462e-05 / + CHEB/ 2.219e-03 -1.530e-05 -9.418e-06 -4.459e-06 / + +! Reaction index: Chemkin #2839; RMG #8572 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), C2H4(24); C2H5(31), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +OCHO(11)+C2H5(31)<=>FA(1)+C2H4(24) 1.446000e+14 0.000 0.000 + +! Reaction index: Chemkin #2840; RMG #8573 +! Template reaction: Disproportionation +! Flux pairs: C2H5(31), C2H4(24); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C +! Multiplied by reaction path degeneracy 3.0 +HOCO(10)+C2H5(31)<=>FA(1)+C2H4(24) 8.670000e+12 0.000 0.000 + +! Reaction index: Chemkin #2841; RMG #8653 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), C2H4(24); C2H5(31), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C +! Multiplied by reaction path degeneracy 3.0 +HCO(13)+C2H5(31)<=>CH2O(12)+C2H4(24) 8.670000e+12 0.000 0.000 + +! Reaction index: Chemkin #2842; RMG #8656 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), C2H4(24); C2H5(31), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +CHO3(986)+C2H5(31)<=>CH2O3(1000)+C2H4(24) 1.446000e+14 0.000 0.000 + +! Reaction index: Chemkin #2843; RMG #8659 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); C2H5(31), C2H4(24); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2H5(31)<=>CH3OH(25)+C2H4(24) 7.230000e+13 0.000 0.000 + +! Reaction index: Chemkin #2844; RMG #8660 +! Template reaction: Disproportionation +! Flux pairs: C2H5(31), C2H4(24); CH2OH(26), CH3OH(25); +! Matched reaction 8 CH3O-2 + C2H5 <=> CH4O + C2H4 in Disproportionation/training +! This reaction matched rate rule [Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C] +! family: Disproportionation +CH2OH(26)+C2H5(31)<=>CH3OH(25)+C2H4(24) 8.670000e+12 0.000 0.000 + +! Reaction index: Chemkin #2845; RMG #8665 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); C2H5(31), C2H4(24); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C +! Multiplied by reaction path degeneracy 3.0 +HOCH2O(38)+C2H5(31)<=>OCO(1022)+C2H4(24) 7.230000e+13 0.000 0.000 + +! Reaction index: Chemkin #2846; RMG #8666 +! Template reaction: Disproportionation +! Flux pairs: C2H5(31), C2H4(24); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C +! Multiplied by reaction path degeneracy 3.0 +O[CH]O(970)+C2H5(31)<=>OCO(1022)+C2H4(24) 8.670000e+12 0.000 0.000 + +! Reaction index: Chemkin #2847; RMG #9208 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), O(16); [O]C1OC1O(1092), C2H3O2(1046); +[O]C1OC1O(1092)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.937e+01 1.513e+00 -4.809e-03 -2.259e-03 / + CHEB/ 2.328e+01 -1.200e-03 -7.559e-04 -3.687e-04 / + CHEB/ 8.094e-02 2.129e-04 1.436e-04 7.669e-05 / + CHEB/ -2.628e-02 1.283e-03 7.840e-04 3.668e-04 / + CHEB/ -3.056e-02 1.552e-03 9.479e-04 4.418e-04 / + CHEB/ -1.539e-02 8.026e-04 4.882e-04 2.259e-04 / + +! Reaction index: Chemkin #2848; RMG #10043 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), [O]C1OC1O(1092); C2H2O3(1031), [O]C1OC1O(1092); +H(5)+C2H2O3(1031)(+M)<=>[O]C1OC1O(1092)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.685e+00 1.059e+00 -1.842e-01 -3.581e-02 / + CHEB/ 2.679e+00 4.845e-01 1.568e-01 7.480e-03 / + CHEB/ 3.758e-01 -4.921e-02 1.549e-02 2.041e-02 / + CHEB/ 1.104e-01 -1.750e-02 -1.156e-02 -2.627e-04 / + CHEB/ 3.715e-02 1.578e-05 -1.914e-03 -2.432e-03 / + CHEB/ 2.636e-02 7.791e-03 3.125e-03 -2.895e-05 / + +! Reaction index: Chemkin #2849; RMG #9213 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), O(16); [O]C1OC1O(1092), C2H3O2(1042); +[O]C1OC1O(1092)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.744e+01 1.482e+00 -2.357e-02 -1.078e-02 / + CHEB/ 2.625e+01 3.873e-02 2.325e-02 1.047e-02 / + CHEB/ 1.045e+00 -3.255e-03 -1.816e-03 -6.918e-04 / + CHEB/ 4.844e-01 -5.627e-04 -3.752e-04 -2.022e-04 / + CHEB/ 1.184e-01 -1.232e-03 -7.259e-04 -3.146e-04 / + CHEB/ 1.855e-02 2.326e-04 1.305e-04 5.038e-05 / + +! Reaction index: Chemkin #2850; RMG #9216 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), O(16); [O]C1OC1O(1092), CH2OCHO(97); +[O]C1OC1O(1092)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.486e+01 1.515e+00 -3.488e-03 -1.648e-03 / + CHEB/ 2.545e+01 3.218e-03 1.969e-03 9.267e-04 / + CHEB/ 2.752e-01 -4.214e-04 -2.609e-04 -1.253e-04 / + CHEB/ 1.201e-01 -2.414e-04 -1.483e-04 -7.034e-05 / + CHEB/ 2.562e-02 -2.993e-05 -1.715e-05 -7.281e-06 / + CHEB/ 1.607e-02 -9.513e-06 -5.650e-06 -2.389e-06 / + +! Reaction index: Chemkin #2851; RMG #9230 +! PDep reaction: PDepNetwork #380 +! Flux pairs: C2H5(31), CH2(21); C2H5(31), CH3(7); +C2H5(31)(+M)<=>CH2(21)+CH3(7)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.726e+01 1.504e+00 -1.035e-02 -4.772e-03 / + CHEB/ 3.135e+01 1.606e-02 9.686e-03 4.405e-03 / + CHEB/ -2.129e-01 -3.696e-04 -1.758e-04 -3.596e-05 / + CHEB/ -7.834e-02 -8.383e-04 -5.107e-04 -2.367e-04 / + CHEB/ -4.504e-03 -4.019e-04 -2.496e-04 -1.202e-04 / + CHEB/ 2.027e-02 -2.831e-04 -1.743e-04 -8.262e-05 / + +! Reaction index: Chemkin #2852; RMG #9423 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), CO2(9); C2H3O3(1029), CH2OH(26); +C2H3O3(1029)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.009e+00 4.624e-01 -5.626e-02 -5.836e-04 / + CHEB/ 8.302e+00 6.715e-01 -3.469e-02 -6.640e-03 / + CHEB/ -2.336e-01 2.535e-01 2.019e-02 -6.775e-03 / + CHEB/ -9.187e-02 3.002e-02 1.998e-02 1.398e-03 / + CHEB/ -1.149e-03 -2.300e-02 4.090e-03 2.470e-03 / + CHEB/ 1.468e-02 -1.192e-02 -1.908e-03 4.191e-04 / + +! Reaction index: Chemkin #2853; RMG #5850 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O(16)+C2H3O3(1029)<=>OH(3)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2854; RMG #5860 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +H(5)+C2H3O3(1029)<=>H2(6)+C2H2O3(977) 1.191692e+10 0.568 0.000 + +! Reaction index: Chemkin #2855; RMG #5871 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OH(3)+C2H3O3(1029)<=>H2O(17)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2856; RMG #5907 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+C2H3O3(1029)<=>FA(1)+C2H2O3(977) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #2857; RMG #5911 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+C2H3O3(1029)<=>FA(1)+C2H2O3(977) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #2858; RMG #5921 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); O2(2), HO2(4); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +O2(2)+C2H3O3(1029)<=>HO2(4)+C2H2O3(977) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #2859; RMG #5928 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+C2H3O3(1029)<=>CH2O(12)+C2H2O3(977) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #2860; RMG #5940 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HO2(4)+C2H3O3(1029)<=>H2O2(18)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2861; RMG #5956 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CHO4(989), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO4(989)+C2H3O3(1029)<=>CH2O4(1005)+C2H2O3(977) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #2862; RMG #5960 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CHO4(985), CH2O4(1005); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(985)+C2H3O3(1029)<=>CH2O4(1005)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2863; RMG #5968 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+C2H3O3(1029)<=>CH2O3(1000)+C2H2O3(977) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #2864; RMG #5982 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); O2CHO(67), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2CHO(67)+C2H3O3(1029)<=>HO2CHO(68)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2865; RMG #5986 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CHO3(1009), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CHO3(1009)+C2H3O3(1029)<=>HO2CHO(68)+C2H2O3(977) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #2866; RMG #5994 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3O(27)+C2H3O3(1029)<=>CH3OH(25)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2867; RMG #5998 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+C2H3O3(1029)<=>CH3OH(25)+C2H2O3(977) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #2868; RMG #6002 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); C2HO3(993), C2H2O3(977); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +C2HO3(993)+C2H3O3(1029)<=>C2H2O3(977)+C2H2O3(977) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #2869; RMG #6006 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); C2HO3(991), C2H2O3(977); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C2HO3(991)+C2H3O3(1029)<=>C2H2O3(977)+C2H2O3(977) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #2870; RMG #6019 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +! Multiplied by reaction path degeneracy 2.0 +CH3(7)+C2H3O3(1029)<=>CH4(20)+C2H2O3(977) 1.191692e+10 0.568 0.000 + +! Reaction index: Chemkin #2871; RMG #6027 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); OCHCO(63), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +OCHCO(63)+C2H3O3(1029)<=>OCHCHO(52)+C2H2O3(977) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #2872; RMG #6041 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); HCCO(53), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +HCCO(53)+C2H3O3(1029)<=>CH2CO(30)+C2H2O3(977) 1.262218e+13 -0.199 0.000 + +! Reaction index: Chemkin #2873; RMG #6051 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2H3O3(1029)<=>OCO(1022)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2874; RMG #6055 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2H3O3(1029)<=>OCO(1022)+C2H2O3(977) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #2875; RMG #6219 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); [O]C(O)O(972), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C(O)O(972)+C2H3O3(1029)<=>OC(O)O(1039)+C2H2O3(977) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2876; RMG #6220 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +O[C](O)O(1021)+C2H3O3(1029)<=>OC(O)O(1039)+C2H2O3(977) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #2877; RMG #6850 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CH3CO2(73), C2H4O2(1024); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CH3CO2(73)+C2H3O3(1029)<=>C2H2O3(977)+C2H4O2(1024) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #2878; RMG #6851 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); C2H3O2(1088), C2H4O2(1024); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1088)+C2H3O3(1029)<=>C2H2O3(977)+C2H4O2(1024) 1.262218e+13 -0.199 0.000 + +! Reaction index: Chemkin #2879; RMG #6872 +! PDep reaction: PDepNetwork #214 +! Flux pairs: H(5), C2H3O3(1029); C2H2O3(977), C2H3O3(1029); +H(5)+C2H2O3(977)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.019e+01 4.457e-01 -4.450e-02 -4.376e-04 / + CHEB/ 1.421e+00 6.635e-01 -3.936e-02 -6.894e-03 / + CHEB/ -3.244e-01 2.743e-01 1.554e-02 -5.722e-03 / + CHEB/ -1.270e-01 3.860e-02 1.935e-02 1.031e-03 / + CHEB/ -1.039e-02 -2.428e-02 4.627e-03 2.536e-03 / + CHEB/ 1.528e-02 -1.540e-02 -1.873e-03 5.684e-04 / + +! Reaction index: Chemkin #2880; RMG #9396 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), C2H3O3(1043); +C2H3O3(1029)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.167e+00 1.986e+00 -5.581e-02 -5.755e-04 / + CHEB/ 7.685e+00 6.759e-01 -3.384e-02 -6.597e-03 / + CHEB/ -3.105e-01 2.554e-01 2.080e-02 -6.692e-03 / + CHEB/ -9.820e-02 3.021e-02 2.024e-02 1.473e-03 / + CHEB/ 2.553e-03 -2.334e-02 4.148e-03 2.500e-03 / + CHEB/ 1.695e-02 -1.224e-02 -1.898e-03 4.231e-04 / + +! Reaction index: Chemkin #2881; RMG #7028 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CH2CHO(45), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +CH2CHO(45)+C2H3O3(1029)<=>C2H2O3(977)+CH3CHO(40) 1.262218e+13 -0.199 0.000 + +! Reaction index: Chemkin #2882; RMG #7029 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CH3CO(47), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +CH3CO(47)+C2H3O3(1029)<=>C2H2O3(977)+CH3CHO(40) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #2883; RMG #7623 +! PDep reaction: PDepNetwork #305 +! Flux pairs: OH(3), C2H3O3(1029); C2H2O2(1070), C2H3O3(1029); +OH(3)+C2H2O2(1070)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.931e+00 9.999e-01 -1.610e-01 -1.204e-02 / + CHEB/ 1.124e+01 4.010e-01 8.083e-02 -1.751e-02 / + CHEB/ 4.968e-01 -2.190e-02 1.142e-02 7.014e-03 / + CHEB/ 2.901e-01 -3.262e-02 -1.261e-02 -1.020e-04 / + CHEB/ 1.164e-01 -1.975e-03 -3.604e-03 -2.092e-03 / + CHEB/ 7.486e-03 1.359e-02 3.765e-03 -5.764e-04 / +DUPLICATE + +! Reaction index: Chemkin #2884; RMG #7763 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), C2H3O3(1029); C2H2O2(1070), C2H3O3(1029); +OH(3)+C2H2O2(1070)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.670e+00 -4.347e-01 -1.367e-01 -1.056e-02 / + CHEB/ 1.140e+01 4.495e-01 1.119e-01 -9.028e-03 / + CHEB/ 3.470e-01 -3.443e-03 2.011e-02 1.081e-02 / + CHEB/ 1.779e-01 -4.867e-02 -1.290e-02 1.873e-03 / + CHEB/ 9.296e-02 -1.061e-02 -7.880e-03 -2.606e-03 / + CHEB/ 3.898e-02 5.298e-03 3.570e-05 -1.317e-03 / +DUPLICATE + +! Reaction index: Chemkin #2885; RMG #9427 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), HCO(13); C2H3O3(1029), FA(1); +C2H3O3(1029)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.164e+01 -1.190e+00 -3.523e-01 -4.219e-03 / + CHEB/ 1.470e+01 2.246e+00 1.921e-01 -2.866e-02 / + CHEB/ 5.365e-01 5.125e-02 -2.690e-02 -1.272e-02 / + CHEB/ 2.907e-02 -7.845e-02 -2.338e-02 1.329e-02 / + CHEB/ -3.240e-02 -1.016e-02 3.589e-02 1.477e-02 / + CHEB/ -2.337e-02 9.450e-03 2.222e-02 -1.040e-03 / + +! Reaction index: Chemkin #2886; RMG #7830 +! PDep reaction: PDepNetwork #311 +! Flux pairs: OH(3), C2H3O3(1029); C2H2O2(1030), C2H3O3(1029); +OH(3)+C2H2O2(1030)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.062e+00 5.542e-01 -1.874e-01 -3.046e-03 / + CHEB/ 1.163e+00 6.606e-01 5.580e-02 -1.344e-02 / + CHEB/ 2.414e-01 1.528e-01 3.949e-02 -9.882e-03 / + CHEB/ 9.747e-02 1.270e-02 1.704e-02 2.932e-03 / + CHEB/ 4.321e-02 -3.111e-02 2.326e-03 4.040e-03 / + CHEB/ 1.921e-03 -1.798e-02 -3.264e-03 2.039e-03 / + +! Reaction index: Chemkin #2887; RMG #9395 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), C2H3O3(1066); +C2H3O3(1029)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.679e-01 5.581e-01 -7.892e-02 4.949e-03 / + CHEB/ 8.609e+00 7.433e-01 -4.895e-02 -1.106e-02 / + CHEB/ -3.965e-01 2.876e-01 1.684e-02 -6.598e-03 / + CHEB/ -1.651e-01 6.365e-02 1.231e-02 2.080e-03 / + CHEB/ -4.662e-02 6.211e-03 -5.188e-04 2.008e-03 / + CHEB/ -1.434e-02 6.498e-03 -3.222e-03 -1.168e-04 / + +! Reaction index: Chemkin #2888; RMG #9388 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), H2O(17); C2H3O3(1029), OCHCO(63); +C2H3O3(1029)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.961e+00 1.332e+00 -9.203e-02 -2.634e-02 / + CHEB/ 1.481e+01 1.788e-01 8.030e-02 1.751e-02 / + CHEB/ -8.369e-02 -1.164e-02 -1.262e-04 4.001e-03 / + CHEB/ -6.294e-03 -1.039e-02 -5.799e-03 -1.935e-03 / + CHEB/ 2.745e-02 -6.629e-03 -3.321e-03 -1.054e-03 / + CHEB/ 8.868e-04 2.857e-03 1.146e-03 1.117e-04 / + +! Reaction index: Chemkin #2889; RMG #9429 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), CO(8); C2H3O3(1029), O[CH]O(970); +C2H3O3(1029)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.150e+00 -1.846e+00 -2.921e-01 3.004e-03 / + CHEB/ 1.322e+01 2.174e+00 8.576e-02 -3.690e-02 / + CHEB/ 2.027e-01 2.812e-01 8.285e-02 1.676e-02 / + CHEB/ -9.299e-02 -8.778e-03 -1.088e-02 9.781e-03 / + CHEB/ -8.406e-02 -2.850e-03 -8.292e-03 -5.260e-04 / + CHEB/ -3.383e-02 1.812e-02 3.966e-03 -5.354e-04 / + +! Reaction index: Chemkin #2890; RMG #8359 +! PDep reaction: PDepNetwork #129 +! Flux pairs: CO(8), C2H3O3(1029); HOCH2O(38), C2H3O3(1029); +CO(8)+HOCH2O(38)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.732e+01 1.188e+00 -1.370e-01 -2.709e-02 / + CHEB/ 2.424e+01 4.258e-01 1.658e-01 2.611e-02 / + CHEB/ 2.242e+00 -7.447e-02 -2.085e-02 1.262e-03 / + CHEB/ 4.451e-01 -5.162e-02 -2.219e-02 -3.125e-03 / + CHEB/ 1.192e-01 1.848e-02 8.685e-03 2.101e-03 / + CHEB/ 1.328e-01 2.491e-02 8.509e-03 -6.290e-05 / + +! Reaction index: Chemkin #2891; RMG #8389 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), C2H3O3(1029); OCHCHO(52), C2H3O3(1029); +OH(3)+OCHCHO(52)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.027e+01 8.509e-01 -2.087e-01 -1.979e-02 / + CHEB/ 1.019e+01 5.794e-01 1.352e-01 -8.118e-03 / + CHEB/ 9.828e-01 8.821e-02 5.637e-02 1.295e-02 / + CHEB/ 4.030e-01 1.421e-02 1.739e-02 1.125e-02 / + CHEB/ 2.418e-01 -1.386e-02 1.266e-03 4.357e-03 / + CHEB/ 1.323e-01 -3.855e-03 -2.272e-03 -5.357e-05 / + +! Reaction index: Chemkin #2892; RMG #9417 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), C2H3O3(1032); +C2H3O3(1029)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.339e+00 -6.511e-01 -2.794e-01 6.895e-03 / + CHEB/ 1.192e+01 2.065e+00 5.394e-02 -4.104e-02 / + CHEB/ 1.228e-01 3.117e-01 8.544e-02 1.146e-02 / + CHEB/ -5.047e-02 -1.476e-02 -7.495e-03 9.987e-03 / + CHEB/ -3.373e-02 -1.281e-02 -1.182e-02 -7.534e-04 / + CHEB/ -2.056e-02 1.471e-02 -5.959e-04 -1.408e-03 / + +! Reaction index: Chemkin #2893; RMG #8528 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); OCH2CHO(510), C2H4O2(1056); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCH2CHO(510)+C2H3O3(1029)<=>C2H2O3(977)+C2H4O2(1056) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #2894; RMG #8529 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); C2H3O2(1046), C2H4O2(1056); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1046)+C2H3O3(1029)<=>C2H2O3(977)+C2H4O2(1056) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #2895; RMG #8530 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); C2H3O2(1042), C2H4O2(1056); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1042)+C2H3O3(1029)<=>C2H2O3(977)+C2H4O2(1056) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #2896; RMG #8553 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), C2H3O3(1029); +C2H3O3(1012)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.250e+00 2.742e-01 -3.498e-01 -3.376e-03 / + CHEB/ 1.075e+01 2.287e+00 1.936e-01 -2.771e-02 / + CHEB/ 6.908e-01 8.143e-02 -2.075e-02 -1.240e-02 / + CHEB/ -1.967e-02 -7.633e-02 -2.620e-02 1.279e-02 / + CHEB/ -1.025e-01 -1.098e-02 3.495e-02 1.625e-02 / + CHEB/ -6.116e-02 1.139e-02 2.488e-02 2.517e-04 / + +! Reaction index: Chemkin #2897; RMG #9387 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), CO2(9); C2H3O3(1029), CH3O(27); +C2H3O3(1029)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.745e+01 1.509e+00 -7.362e-03 -3.421e-03 / + CHEB/ 2.197e+01 9.855e-03 5.982e-03 2.757e-03 / + CHEB/ 3.721e-02 -1.720e-03 -1.025e-03 -4.542e-04 / + CHEB/ 6.066e-02 -7.045e-04 -4.353e-04 -2.075e-04 / + CHEB/ 5.593e-02 -7.238e-04 -4.382e-04 -2.012e-04 / + CHEB/ 7.968e-03 1.660e-04 1.014e-04 4.716e-05 / + +! Reaction index: Chemkin #2898; RMG #8947 +! PDep reaction: PDepNetwork #186 +! Flux pairs: H(5), C2H3O3(1029); C2H2O3(976), C2H3O3(1029); +H(5)+C2H2O3(976)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.368e+00 -5.213e-01 -3.252e-01 -8.752e-03 / + CHEB/ 1.043e+01 2.060e+00 2.440e-01 -2.445e-02 / + CHEB/ 8.728e-01 -1.405e-01 -3.951e-02 1.430e-03 / + CHEB/ 1.180e-01 9.656e-03 5.681e-02 1.947e-02 / + CHEB/ 8.638e-02 2.096e-02 3.360e-02 7.787e-05 / + CHEB/ 4.957e-02 8.750e-03 -7.180e-04 1.817e-03 / + +! Reaction index: Chemkin #2899; RMG #9419 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), C2H3O3(1011); +C2H3O3(1029)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.576e+01 4.589e-01 -3.884e-01 -1.757e-02 / + CHEB/ 1.442e+01 2.309e+00 2.644e-01 -1.212e-02 / + CHEB/ 7.213e-01 -4.587e-02 -5.696e-02 -1.609e-02 / + CHEB/ 1.021e-01 -4.576e-02 5.899e-03 1.836e-02 / + CHEB/ 2.687e-02 -4.739e-04 4.216e-02 1.084e-02 / + CHEB/ -4.267e-02 1.378e-02 1.736e-02 -3.208e-03 / + +! Reaction index: Chemkin #2900; RMG #9420 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), HOCH2OCO(96); +C2H3O3(1029)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.871e+01 -1.412e-01 -3.743e-01 -4.843e-03 / + CHEB/ 1.628e+01 2.396e+00 1.492e-01 -2.356e-02 / + CHEB/ 6.111e-01 9.024e-02 -6.176e-02 2.680e-03 / + CHEB/ 5.912e-04 9.105e-02 7.125e-02 1.304e-02 / + CHEB/ 3.966e-02 1.547e-02 4.550e-02 -1.816e-03 / + CHEB/ 3.423e-02 -7.202e-03 8.005e-03 4.512e-03 / + +! Reaction index: Chemkin #2901; RMG #9421 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), OCH2OCHO(93); +C2H3O3(1029)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.064e+01 5.737e-01 -3.854e-01 -1.724e-02 / + CHEB/ 1.576e+01 2.287e+00 2.779e-01 -1.235e-02 / + CHEB/ 9.560e-01 -8.288e-02 -6.170e-02 -1.423e-02 / + CHEB/ 2.419e-01 -2.825e-02 2.257e-02 2.168e-02 / + CHEB/ 1.334e-01 7.763e-03 4.387e-02 7.324e-03 / + CHEB/ 3.887e-02 1.544e-02 1.347e-02 -2.919e-03 / + +! Reaction index: Chemkin #2902; RMG #9220 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), C2H3O3(1029); +[O]C1OC1O(1092)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.679e+00 5.349e-01 -3.391e-01 -3.372e-03 / + CHEB/ 7.178e+00 2.243e+00 2.163e-01 -2.557e-02 / + CHEB/ 5.862e-01 2.142e-02 -2.618e-02 -9.326e-03 / + CHEB/ 4.383e-02 -5.793e-02 1.716e-03 1.899e-02 / + CHEB/ -2.295e-02 1.097e-02 4.793e-02 1.216e-02 / + CHEB/ -1.060e-02 1.749e-02 1.898e-02 -3.163e-03 / + +! Reaction index: Chemkin #2903; RMG #9256 +! PDep reaction: PDepNetwork #51 +! Flux pairs: FA(1), C2H3O2(1088); HCO(13), O(16); +HCO(13)+FA(1)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.197e+01 -1.117e-01 -6.181e-02 -2.357e-02 / + CHEB/ 3.044e+01 1.123e-01 6.009e-02 2.117e-02 / + CHEB/ 1.099e+00 -1.127e-03 1.307e-03 2.076e-03 / + CHEB/ 4.441e-01 -1.058e-03 -8.617e-04 -4.987e-04 / + CHEB/ 1.754e-01 -4.921e-03 -2.530e-03 -8.052e-04 / + CHEB/ 7.419e-02 -3.803e-04 -3.442e-04 -2.447e-04 / + +! Reaction index: Chemkin #2904; RMG #9289 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), FA(1); CH2O(12), HCO(13); +HOCO(10)+CH2O(12)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.100e+01 -2.293e+00 -3.355e-01 -2.875e-03 / + CHEB/ 1.393e+01 2.043e+00 1.965e-01 -3.362e-02 / + CHEB/ 7.210e-01 -6.045e-02 -4.205e-02 -7.205e-03 / + CHEB/ -3.087e-03 -4.771e-02 1.547e-02 1.901e-02 / + CHEB/ -7.439e-02 1.138e-02 4.298e-02 6.162e-03 / + CHEB/ -1.924e-02 9.501e-03 9.112e-03 -2.295e-03 / + +! Reaction index: Chemkin #2905; RMG #9261 +! PDep reaction: PDepNetwork #79 +! Flux pairs: OCHCO(63), C2H3O2(1088); H2O(17), O(16); +H2O(17)+OCHCO(63)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.278e+01 -2.611e-03 -1.608e-03 -7.621e-04 / + CHEB/ 2.629e+01 2.291e-03 1.409e-03 6.665e-04 / + CHEB/ 5.272e-01 -4.673e-04 -2.866e-04 -1.348e-04 / + CHEB/ 1.775e-01 -1.507e-04 -9.325e-05 -4.463e-05 / + CHEB/ 5.836e-02 -1.714e-04 -1.054e-04 -4.986e-05 / + CHEB/ 1.903e-02 2.883e-05 1.773e-05 8.381e-06 / + +! Reaction index: Chemkin #2906; RMG #9281 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), OCHCO(63); CH2O(12), H2O(17); +HOCO(10)+CH2O(12)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.878e+00 -1.674e-01 -8.252e-02 -2.430e-02 / + CHEB/ 1.358e+01 1.752e-01 8.073e-02 1.922e-02 / + CHEB/ 1.720e-01 -1.655e-02 -2.913e-03 3.044e-03 / + CHEB/ 4.477e-03 -1.049e-02 -6.245e-03 -2.406e-03 / + CHEB/ -8.166e-03 -5.663e-03 -2.981e-03 -1.078e-03 / + CHEB/ -5.775e-04 2.742e-03 1.167e-03 1.738e-04 / + +! Reaction index: Chemkin #2907; RMG #9266 +! PDep reaction: PDepNetwork #82 +! Flux pairs: O[CH]O(970), C2H3O2(1088); CO(8), O(16); +CO(8)+O[CH]O(970)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.880e+01 -2.350e-01 -1.243e-01 -4.275e-02 / + CHEB/ 2.849e+01 2.710e-01 1.373e-01 4.218e-02 / + CHEB/ 1.284e+00 -3.361e-02 -9.902e-03 2.905e-03 / + CHEB/ 5.237e-01 -6.798e-03 -6.410e-03 -4.184e-03 / + CHEB/ 2.342e-01 -1.093e-02 -5.731e-03 -2.101e-03 / + CHEB/ 9.407e-02 -1.097e-04 -2.623e-04 -2.551e-04 / + +! Reaction index: Chemkin #2908; RMG #9291 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), O[CH]O(970); CH2O(12), CO(8); +HOCO(10)+CH2O(12)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.913e+00 -2.836e+00 -3.367e-01 -3.181e-03 / + CHEB/ 1.255e+01 2.076e+00 1.496e-01 -3.269e-02 / + CHEB/ 4.540e-01 1.945e-01 6.837e-02 2.262e-02 / + CHEB/ -7.590e-02 2.847e-03 -1.519e-02 6.718e-03 / + CHEB/ -1.049e-01 -1.564e-03 -1.103e-03 -2.148e-03 / + CHEB/ -2.369e-02 1.178e-02 1.024e-02 -1.165e-04 / + +! Reaction index: Chemkin #2909; RMG #9391 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), HOCO(10); C2H3O3(1029), CH2O(12); +C2H3O3(1029)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.169e+00 4.672e-01 -8.647e-02 9.041e-03 / + CHEB/ 8.683e+00 5.447e-01 -3.551e-02 -1.401e-02 / + CHEB/ -5.367e-01 1.786e-01 2.358e-02 -8.501e-03 / + CHEB/ -1.997e-01 2.228e-02 1.570e-02 1.135e-03 / + CHEB/ -5.847e-02 -1.144e-02 2.993e-03 1.863e-03 / + CHEB/ -1.941e-02 -1.688e-03 -2.197e-03 3.837e-04 / + +! Reaction index: Chemkin #2910; RMG #9272 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), C2H3O3(1043); CH2O(12), C2H3O3(1043); +HOCO(10)+CH2O(12)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.938e+00 7.414e-01 -1.004e-01 3.490e-03 / + CHEB/ 7.944e+00 7.153e-01 2.458e-02 -1.943e-02 / + CHEB/ 2.721e-02 9.347e-02 5.315e-02 4.253e-04 / + CHEB/ -2.242e-02 -5.322e-02 7.816e-03 7.073e-03 / + CHEB/ -5.553e-04 -3.394e-02 -7.301e-03 1.440e-03 / + CHEB/ 1.863e-02 -3.176e-04 -4.181e-03 -9.387e-04 / + +! Reaction index: Chemkin #2911; RMG #9273 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), C2H3O3(1066); CH2O(12), C2H3O3(1066); +HOCO(10)+CH2O(12)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.456e-01 -6.251e-01 -1.316e-01 7.229e-03 / + CHEB/ 8.399e+00 9.230e-01 -2.211e-02 -1.981e-02 / + CHEB/ -1.153e-01 2.439e-01 2.688e-02 8.067e-04 / + CHEB/ -1.528e-01 3.582e-02 -1.790e-03 4.656e-03 / + CHEB/ -6.943e-02 2.030e-03 -5.280e-03 -8.622e-04 / + CHEB/ -1.010e-02 5.409e-03 4.260e-04 -1.872e-03 / + +! Reaction index: Chemkin #2912; RMG #9373 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), HOCO(10); C2H3O3(1012), CH2O(12); +C2H3O3(1012)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.512e+00 -8.172e-01 -3.359e-01 -2.327e-03 / + CHEB/ 1.220e+01 2.088e+00 2.022e-01 -3.205e-02 / + CHEB/ 6.879e-01 -4.092e-02 -3.850e-02 -7.648e-03 / + CHEB/ -1.317e-01 -4.895e-02 1.295e-02 1.952e-02 / + CHEB/ -1.767e-01 1.275e-02 4.541e-02 7.863e-03 / + CHEB/ -7.014e-02 1.274e-02 1.208e-02 -2.421e-03 / + +! Reaction index: Chemkin #2913; RMG #9275 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), C2H3O3(1032); CH2O(12), C2H3O3(1032); +HOCO(10)+CH2O(12)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.295e+00 -1.599e+00 -3.376e-01 1.451e-03 / + CHEB/ 1.127e+01 2.028e+00 1.213e-01 -3.914e-02 / + CHEB/ 3.757e-01 2.086e-01 7.247e-02 1.947e-02 / + CHEB/ -2.523e-02 -1.158e-02 -1.765e-02 8.057e-03 / + CHEB/ -5.358e-02 -8.954e-03 -8.384e-03 -2.000e-03 / + CHEB/ -1.520e-02 1.140e-02 4.522e-03 -1.298e-03 / + +! Reaction index: Chemkin #2914; RMG #9383 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), HOCO(10); [O]C1OC1O(1092), CH2O(12); +[O]C1OC1O(1092)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.803e+00 -5.976e-01 -3.134e-01 -7.752e-04 / + CHEB/ 8.598e+00 2.018e+00 2.077e-01 -3.300e-02 / + CHEB/ 5.787e-01 -7.006e-02 -2.986e-02 -5.944e-04 / + CHEB/ -6.346e-02 -2.121e-02 3.737e-02 2.047e-02 / + CHEB/ -8.847e-02 2.412e-02 4.245e-02 2.701e-03 / + CHEB/ -9.280e-03 1.155e-02 3.854e-03 -8.865e-04 / + +! Reaction index: Chemkin #2915; RMG #9277 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), C2H3O3(1011); CH2O(12), C2H3O3(1011); +HOCO(10)+CH2O(12)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.500e+01 -6.750e-01 -3.572e-01 -1.337e-02 / + CHEB/ 1.360e+01 2.077e+00 2.475e-01 -2.164e-02 / + CHEB/ 9.061e-01 -1.249e-01 -5.638e-02 -6.074e-03 / + CHEB/ 6.970e-02 -1.000e-02 4.010e-02 1.937e-02 / + CHEB/ -9.979e-03 1.307e-02 3.757e-02 2.221e-03 / + CHEB/ -3.227e-02 9.709e-03 4.059e-03 -2.955e-04 / + +! Reaction index: Chemkin #2916; RMG #9278 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), HOCH2OCO(96); CH2O(12), HOCH2OCO(96); +HOCO(10)+CH2O(12)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.770e+01 -1.336e+00 -3.444e-01 -4.214e-03 / + CHEB/ 1.528e+01 2.234e+00 1.090e-01 -2.778e-02 / + CHEB/ 7.489e-01 9.372e-02 -2.031e-02 7.317e-03 / + CHEB/ -2.324e-02 1.055e-01 8.562e-02 2.678e-03 / + CHEB/ 1.839e-02 1.931e-03 3.075e-02 3.877e-04 / + CHEB/ 4.825e-02 -1.538e-02 4.037e-03 8.784e-03 / + +! Reaction index: Chemkin #2917; RMG #9279 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), OCH2OCHO(93); CH2O(12), OCH2OCHO(93); +HOCO(10)+CH2O(12)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.981e+01 -5.751e-01 -3.468e-01 -1.227e-02 / + CHEB/ 1.492e+01 2.039e+00 2.483e-01 -2.350e-02 / + CHEB/ 1.142e+00 -1.403e-01 -5.034e-02 -1.168e-03 / + CHEB/ 2.135e-01 6.430e-03 5.100e-02 1.875e-02 / + CHEB/ 1.021e-01 1.587e-02 3.360e-02 3.881e-04 / + CHEB/ 5.413e-02 8.888e-03 1.439e-03 1.692e-03 / + +! Reaction index: Chemkin #2918; RMG #9280 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), CO2(9); CH2O(12), CH3O(27); +HOCO(10)+CH2O(12)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.570e+01 -1.157e-02 -7.052e-03 -3.279e-03 / + CHEB/ 2.041e+01 1.006e-02 6.110e-03 2.817e-03 / + CHEB/ 1.942e-01 -1.655e-03 -9.876e-04 -4.381e-04 / + CHEB/ 4.050e-02 -6.473e-04 -4.016e-04 -1.929e-04 / + CHEB/ 1.040e-02 -6.771e-04 -4.107e-04 -1.893e-04 / + CHEB/ 4.147e-03 1.639e-04 9.980e-05 4.607e-05 / +DUPLICATE + +! Reaction index: Chemkin #2919; RMG #9282 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), C2H3O2(1088); CH2O(12), O(16); +HOCO(10)+CH2O(12)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.116e+01 -2.857e-03 -1.759e-03 -8.336e-04 / + CHEB/ 2.466e+01 2.145e-03 1.319e-03 6.237e-04 / + CHEB/ 2.305e-01 -5.552e-04 -3.407e-04 -1.603e-04 / + CHEB/ 5.478e-02 -2.222e-04 -1.372e-04 -6.536e-05 / + CHEB/ 1.266e-02 -2.247e-04 -1.381e-04 -6.524e-05 / + CHEB/ 2.168e-03 8.777e-06 5.453e-06 2.628e-06 / + +! Reaction index: Chemkin #2920; RMG #9284 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), C2H3O2(1042); CH2O(12), O(16); +HOCO(10)+CH2O(12)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.090e+01 -8.345e-03 -5.115e-03 -2.402e-03 / + CHEB/ 3.049e+01 7.582e-03 4.632e-03 2.160e-03 / + CHEB/ 5.662e-01 -1.769e-03 -1.073e-03 -4.937e-04 / + CHEB/ 2.085e-01 -1.540e-04 -9.974e-05 -5.179e-05 / + CHEB/ 7.341e-02 -1.829e-04 -1.111e-04 -5.129e-05 / + CHEB/ 2.260e-02 -8.903e-05 -5.440e-05 -2.537e-05 / + +! Reaction index: Chemkin #2921; RMG #9285 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), CO2(9); CH2O(12), CH2OH(26); +HOCO(10)+CH2O(12)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.788e+00 -7.815e-01 -1.008e-01 3.450e-03 / + CHEB/ 8.553e+00 7.132e-01 2.370e-02 -1.957e-02 / + CHEB/ 1.005e-01 9.362e-02 5.281e-02 2.642e-04 / + CHEB/ -1.754e-02 -5.272e-02 7.874e-03 7.014e-03 / + CHEB/ -4.611e-03 -3.376e-02 -7.202e-03 1.448e-03 / + CHEB/ 1.649e-02 -3.234e-04 -4.152e-03 -9.281e-04 / + +! Reaction index: Chemkin #2922; RMG #9363 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), HOCO(10); OH(3), CH2O(12); +OH(3)+C2H2O2(1030)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.492e+00 -9.105e-01 -1.819e-01 -3.665e-03 / + CHEB/ 2.024e+00 6.861e-01 6.660e-02 -1.511e-02 / + CHEB/ 2.486e-01 1.383e-01 4.457e-02 -7.826e-03 / + CHEB/ 2.798e-03 -1.117e-03 1.586e-02 4.952e-03 / + CHEB/ -3.079e-02 -3.615e-02 -7.273e-04 4.276e-03 / + CHEB/ -1.110e-02 -1.798e-02 -5.235e-03 1.320e-03 / + +! Reaction index: Chemkin #2923; RMG #9324 +! PDep reaction: PDepNetwork #128 +! Flux pairs: HOCH2O(38), HOCO(10); CO(8), CH2O(12); +CO(8)+HOCH2O(38)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.634e+01 -3.163e-01 -1.313e-01 -2.659e-02 / + CHEB/ 2.500e+01 4.141e-01 1.626e-01 2.641e-02 / + CHEB/ 2.131e+00 -8.832e-02 -2.679e-02 2.698e-04 / + CHEB/ 2.768e-01 -4.278e-02 -1.899e-02 -2.915e-03 / + CHEB/ 4.549e-02 2.618e-02 1.169e-02 2.386e-03 / + CHEB/ 1.270e-01 1.609e-02 4.950e-03 -6.021e-04 / + +! Reaction index: Chemkin #2924; RMG #9288 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), C2H3O2(1046); CH2O(12), O(16); +HOCO(10)+CH2O(12)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.291e+01 -3.718e-02 -2.209e-02 -9.755e-03 / + CHEB/ 3.141e+01 3.669e-02 2.150e-02 9.215e-03 / + CHEB/ 1.248e+00 -2.510e-03 -1.227e-03 -3.082e-04 / + CHEB/ 4.290e-01 -2.219e-04 -1.831e-04 -1.222e-04 / + CHEB/ 1.395e-01 -1.613e-03 -9.334e-04 -3.899e-04 / + CHEB/ 3.244e-02 4.344e-04 2.452e-04 9.641e-05 / + +! Reaction index: Chemkin #2925; RMG #9339 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), HOCO(10); OH(3), CH2O(12); +OH(3)+OCHCHO(52)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.549e+00 -6.379e-01 -2.012e-01 -1.970e-02 / + CHEB/ 1.100e+01 5.801e-01 1.407e-01 -6.263e-03 / + CHEB/ 9.914e-01 7.279e-02 5.335e-02 1.414e-02 / + CHEB/ 3.192e-01 4.107e-03 1.258e-02 1.038e-02 / + CHEB/ 1.736e-01 -1.781e-02 -2.010e-03 2.993e-03 / + CHEB/ 1.179e-01 -5.458e-03 -3.756e-03 -9.247e-04 / + +! Reaction index: Chemkin #2926; RMG #10065 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), HOCO(10); H(5), CH2O(12); +H(5)+C2H2O3(1031)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.751e+00 -8.999e-01 -1.938e-01 -7.678e-03 / + CHEB/ 4.819e+00 7.092e-01 9.196e-02 -7.367e-03 / + CHEB/ 2.410e-01 1.472e-01 5.786e-02 -3.303e-03 / + CHEB/ 2.328e-02 2.643e-02 2.339e-02 8.298e-03 / + CHEB/ 1.959e-02 -2.191e-02 6.077e-03 5.800e-03 / + CHEB/ 4.784e-02 -4.747e-03 4.934e-04 2.748e-03 / + +! Reaction index: Chemkin #2927; RMG #9293 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), C2H3O2(1046); CH2O(12), O-2(1040); +HOCO(10)+CH2O(12)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.081e+01 -6.079e-03 -3.740e-03 -1.769e-03 / + CHEB/ 4.489e+01 2.471e-03 1.511e-03 7.070e-04 / + CHEB/ 7.994e-01 7.426e-05 5.085e-05 2.847e-05 / + CHEB/ 2.181e-01 -4.088e-05 -2.574e-05 -1.255e-05 / + CHEB/ 2.333e-02 5.240e-05 3.327e-05 1.664e-05 / + CHEB/ -2.013e-02 4.090e-05 2.509e-05 1.182e-05 / + +! Reaction index: Chemkin #2928; RMG #9294 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), OC1[CH]O1(1140); CH2O(12), O(16); +HOCO(10)+CH2O(12)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.306e+01 -1.100e-02 -6.754e-03 -3.186e-03 / + CHEB/ 3.932e+01 7.058e-03 4.320e-03 2.023e-03 / + CHEB/ 1.005e+00 -3.124e-04 -1.822e-04 -7.727e-05 / + CHEB/ 3.704e-01 -8.037e-05 -5.099e-05 -2.537e-05 / + CHEB/ 9.968e-02 -9.684e-05 -5.718e-05 -2.488e-05 / + CHEB/ 1.815e-02 1.148e-04 7.011e-05 3.268e-05 / + +! Reaction index: Chemkin #2929; RMG #9329 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), HOCO(10); H(5), CH2O(12); +H(5)+C2H2O3(976)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.231e+00 -1.743e+00 -2.878e-01 -7.108e-03 / + CHEB/ 1.173e+01 1.811e+00 2.075e-01 -2.909e-02 / + CHEB/ 8.474e-01 -1.585e-01 -1.401e-02 1.266e-02 / + CHEB/ 1.723e-02 3.542e-02 6.425e-02 1.137e-02 / + CHEB/ 3.576e-02 1.039e-02 1.416e-02 2.170e-04 / + CHEB/ 5.511e-02 -4.444e-03 -5.802e-03 5.824e-03 / + +! Reaction index: Chemkin #2930; RMG #9296 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), CH2OCHO(97); CH2O(12), O(16); +HOCO(10)+CH2O(12)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.971e+01 -3.328e-02 -2.015e-02 -9.237e-03 / + CHEB/ 3.348e+01 3.066e-02 1.841e-02 8.305e-03 / + CHEB/ 1.336e+00 -2.358e-03 -1.325e-03 -5.140e-04 / + CHEB/ 5.677e-01 -5.620e-04 -3.653e-04 -1.899e-04 / + CHEB/ 1.957e-01 -1.318e-03 -7.809e-04 -3.424e-04 / + CHEB/ 5.517e-02 1.870e-04 1.061e-04 4.217e-05 / + +! Reaction index: Chemkin #2931; RMG #9313 +! PDep reaction: PDepNetwork #101 +! Flux pairs: CO2(9), C2H3O2(1088); CH2OH(26), O(16); +CO2(9)+CH2OH(26)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.292e+01 -9.823e-03 -6.020e-03 -2.828e-03 / + CHEB/ 3.388e+01 8.662e-03 5.298e-03 2.479e-03 / + CHEB/ 4.668e-01 -2.237e-03 -1.363e-03 -6.331e-04 / + CHEB/ 2.006e-01 -4.164e-04 -2.611e-04 -1.282e-04 / + CHEB/ 9.338e-02 -3.902e-04 -2.375e-04 -1.102e-04 / + CHEB/ 4.329e-02 -1.077e-04 -6.500e-05 -2.961e-05 / + +! Reaction index: Chemkin #2932; RMG #9318 +! PDep reaction: PDepNetwork #117 +! Flux pairs: CO2(9), C2H3O2(1088); CH3O(27), O(16); +CO2(9)+CH3O(27)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.131e+01 -2.288e-03 -1.409e-03 -6.683e-04 / + CHEB/ 3.277e+01 2.262e-03 1.392e-03 6.586e-04 / + CHEB/ 8.505e-01 -4.678e-04 -2.870e-04 -1.351e-04 / + CHEB/ 2.457e-01 -1.114e-04 -6.910e-05 -3.322e-05 / + CHEB/ 6.796e-02 -1.305e-04 -8.032e-05 -3.801e-05 / + CHEB/ 1.953e-02 3.312e-05 2.036e-05 9.620e-06 / + +! Reaction index: Chemkin #2933; RMG #9323 +! PDep reaction: PDepNetwork #128 +! Flux pairs: HOCH2O(38), C2H3O2(1088); CO(8), O(16); +CO(8)+HOCH2O(38)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.257e+01 -5.799e-02 -3.327e-02 -1.368e-02 / + CHEB/ 3.023e+01 6.888e-02 3.877e-02 1.528e-02 / + CHEB/ 1.996e+00 -1.224e-02 -6.097e-03 -1.710e-03 / + CHEB/ 6.097e-01 -1.431e-03 -1.153e-03 -7.413e-04 / + CHEB/ 1.624e-01 -1.709e-03 -9.444e-04 -3.659e-04 / + CHEB/ 2.225e-02 1.025e-03 5.739e-04 2.232e-04 / + +! Reaction index: Chemkin #2934; RMG #9328 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), C2H3O2(1088); H(5), O(16); +H(5)+C2H2O3(976)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.224e+01 -1.124e-01 -6.306e-02 -2.483e-02 / + CHEB/ 2.344e+01 1.202e-01 6.570e-02 2.437e-02 / + CHEB/ 1.089e+00 -8.575e-03 -3.105e-03 1.806e-04 / + CHEB/ 4.934e-01 -2.724e-03 -1.843e-03 -9.380e-04 / + CHEB/ 2.242e-01 -4.962e-03 -2.684e-03 -9.773e-04 / + CHEB/ 9.224e-02 2.684e-04 3.380e-05 -8.785e-05 / + +! Reaction index: Chemkin #2935; RMG #9333 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), O(16); C2H3O3(1011), C2H3O2(1088); +C2H3O3(1011)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.452e+01 1.402e+00 -6.647e-02 -2.606e-02 / + CHEB/ 3.030e+01 1.211e-01 6.589e-02 2.418e-02 / + CHEB/ 9.399e-01 -5.700e-03 -1.485e-03 8.096e-04 / + CHEB/ 4.769e-01 -1.404e-03 -1.032e-03 -5.576e-04 / + CHEB/ 2.152e-01 -4.912e-03 -2.592e-03 -8.849e-04 / + CHEB/ 6.400e-02 1.326e-04 -3.973e-05 -1.124e-04 / + +! Reaction index: Chemkin #2936; RMG #9338 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), C2H3O2(1088); OH(3), O(16); +OH(3)+OCHCHO(52)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.020e+01 -9.163e-02 -5.073e-02 -1.936e-02 / + CHEB/ 1.976e+01 1.038e-01 5.591e-02 2.000e-02 / + CHEB/ 1.694e+00 -9.523e-03 -3.460e-03 1.841e-04 / + CHEB/ 5.977e-01 -4.076e-03 -2.703e-03 -1.349e-03 / + CHEB/ 1.975e-01 -4.491e-03 -2.469e-03 -9.417e-04 / + CHEB/ 4.359e-02 1.087e-03 5.155e-04 1.193e-04 / + +! Reaction index: Chemkin #2937; RMG #9343 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), O(16); C2H3O3(1032), C2H3O2(1088); +C2H3O3(1032)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.434e+01 1.282e+00 -1.264e-01 -4.348e-02 / + CHEB/ 3.173e+01 2.713e-01 1.372e-01 4.193e-02 / + CHEB/ 1.096e+00 -3.150e-02 -8.694e-03 3.383e-03 / + CHEB/ 5.139e-01 -5.565e-03 -5.671e-03 -3.849e-03 / + CHEB/ 2.805e-01 -1.081e-02 -5.627e-03 -2.028e-03 / + CHEB/ 1.149e-01 -3.997e-04 -4.264e-04 -3.200e-04 / + +! Reaction index: Chemkin #2938; RMG #9348 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), O(16); C2H3O3(1043), C2H3O2(1088); +C2H3O3(1043)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.771e+01 1.511e+00 -6.011e-03 -2.823e-03 / + CHEB/ 2.804e+01 8.682e-03 5.310e-03 2.485e-03 / + CHEB/ 2.169e-01 -2.222e-03 -1.354e-03 -6.287e-04 / + CHEB/ 1.069e-01 -4.036e-04 -2.533e-04 -1.246e-04 / + CHEB/ 5.921e-02 -3.803e-04 -2.315e-04 -1.074e-04 / + CHEB/ 3.092e-02 -1.014e-04 -6.117e-05 -2.783e-05 / + +! Reaction index: Chemkin #2939; RMG #9353 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), O(16); HOCH2OCO(96), C2H3O2(1088); +HOCH2OCO(96)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.528e+01 9.626e-01 -2.199e-01 -3.992e-02 / + CHEB/ 3.042e+01 5.296e-01 1.758e-01 1.295e-02 / + CHEB/ 8.407e-01 3.049e-02 3.789e-02 1.707e-02 / + CHEB/ 4.265e-01 -6.905e-03 -1.800e-03 3.183e-03 / + CHEB/ 2.452e-01 -3.288e-02 -1.151e-02 -8.315e-04 / + CHEB/ 1.357e-01 -8.721e-03 -6.234e-03 -2.631e-03 / + +! Reaction index: Chemkin #2940; RMG #9358 +! PDep reaction: PDepNetwork #305 +! Flux pairs: C2H2O2(1070), C2H3O2(1088); OH(3), O(16); +OH(3)+C2H2O2(1070)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.245e+01 -2.355e-01 -9.998e-02 -2.225e-02 / + CHEB/ 1.504e+01 2.432e-01 8.871e-02 1.003e-02 / + CHEB/ 1.095e+00 -5.989e-02 -1.559e-02 2.067e-03 / + CHEB/ 3.297e-01 -8.929e-03 -8.553e-03 -4.204e-03 / + CHEB/ 6.053e-02 -5.177e-04 -3.266e-05 -4.046e-04 / + CHEB/ 6.820e-04 1.342e-03 1.019e-03 5.502e-04 / + +! Reaction index: Chemkin #2941; RMG #9359 +! PDep reaction: PDepNetwork #305 +! Flux pairs: C2H2O2(1070), HOCO(10); OH(3), CH2O(12); +OH(3)+C2H2O2(1070)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.831e+00 -5.070e-01 -1.583e-01 -1.263e-02 / + CHEB/ 1.180e+01 4.024e-01 8.317e-02 -1.667e-02 / + CHEB/ 4.118e-01 -2.650e-02 1.017e-02 7.209e-03 / + CHEB/ 1.634e-01 -3.368e-02 -1.338e-02 -4.272e-04 / + CHEB/ 2.742e-02 -2.110e-03 -3.599e-03 -2.153e-03 / + CHEB/ -1.258e-02 1.271e-02 3.740e-03 -4.410e-04 / + +! Reaction index: Chemkin #2942; RMG #9362 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), C2H3O2(1088); OH(3), O(16); +OH(3)+C2H2O2(1030)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.552e+00 -1.028e-01 -5.664e-02 -2.133e-02 / + CHEB/ 1.230e+01 1.052e-01 5.601e-02 1.943e-02 / + CHEB/ 6.021e-01 -1.988e-03 7.319e-04 1.794e-03 / + CHEB/ 2.125e-01 -3.212e-03 -2.063e-03 -9.742e-04 / + CHEB/ 8.908e-02 -7.001e-03 -3.835e-03 -1.434e-03 / + CHEB/ 4.369e-02 -7.844e-04 -6.046e-04 -3.787e-04 / + +! Reaction index: Chemkin #2943; RMG #9367 +! PDep reaction: PDepNetwork #336 +! Flux pairs: C2H3O3(1066), O(16); C2H3O3(1066), C2H3O2(1088); +C2H3O3(1066)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.367e+01 1.405e+00 -6.362e-02 -2.376e-02 / + CHEB/ 3.418e+01 1.042e-01 5.473e-02 1.833e-02 / + CHEB/ -1.242e-01 2.098e-03 2.911e-03 2.523e-03 / + CHEB/ -3.279e-02 -1.834e-03 -1.210e-03 -5.702e-04 / + CHEB/ 4.749e-02 -8.095e-03 -4.321e-03 -1.513e-03 / + CHEB/ 3.924e-02 -1.862e-03 -1.194e-03 -5.917e-04 / + +! Reaction index: Chemkin #2944; RMG #9372 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), O(16); C2H3O3(1012), C2H3O2(1088); +C2H3O3(1012)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.655e+01 1.413e+00 -5.954e-02 -2.242e-02 / + CHEB/ 2.569e+01 1.087e-01 5.778e-02 1.999e-02 / + CHEB/ 1.173e+00 1.057e-04 2.048e-03 2.395e-03 / + CHEB/ 3.301e-01 -7.679e-04 -6.342e-04 -3.458e-04 / + CHEB/ 9.292e-02 -5.741e-03 -3.028e-03 -1.036e-03 / + CHEB/ 2.218e-02 -3.934e-04 -3.569e-04 -2.547e-04 / + +! Reaction index: Chemkin #2945; RMG #9377 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), O(16); OCH2OCHO(93), C2H3O2(1088); +OCH2OCHO(93)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.694e+01 1.403e+00 -6.585e-02 -2.586e-02 / + CHEB/ 3.052e+01 1.213e-01 6.612e-02 2.435e-02 / + CHEB/ 1.235e+00 -6.468e-03 -1.915e-03 6.449e-04 / + CHEB/ 6.272e-01 -1.914e-03 -1.343e-03 -7.007e-04 / + CHEB/ 3.115e-01 -5.066e-03 -2.701e-03 -9.476e-04 / + CHEB/ 1.339e-01 9.253e-05 -6.734e-05 -1.283e-04 / + +! Reaction index: Chemkin #2946; RMG #9382 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), O(16); [O]C1OC1O(1092), C2H3O2(1088); +[O]C1OC1O(1092)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.119e+01 1.412e+00 -6.051e-02 -2.352e-02 / + CHEB/ 2.112e+01 1.130e-01 6.125e-02 2.222e-02 / + CHEB/ 8.917e-01 -4.786e-03 -8.595e-04 1.165e-03 / + CHEB/ 4.228e-01 -2.604e-03 -1.756e-03 -8.845e-04 / + CHEB/ 1.637e-01 -4.850e-03 -2.599e-03 -9.229e-04 / + CHEB/ 7.703e-02 3.707e-05 -1.035e-04 -1.479e-04 / + +! Reaction index: Chemkin #2947; RMG #9389 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), O(16); C2H3O3(1029), C2H3O2(1088); +C2H3O3(1029)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.313e+01 1.518e+00 -1.802e-03 -8.538e-04 / + CHEB/ 2.630e+01 2.114e-03 1.300e-03 6.145e-04 / + CHEB/ 1.161e-01 -5.709e-04 -3.502e-04 -1.648e-04 / + CHEB/ 9.130e-02 -2.347e-04 -1.448e-04 -6.893e-05 / + CHEB/ 6.398e-02 -2.339e-04 -1.437e-04 -6.785e-05 / + CHEB/ 7.452e-03 7.678e-06 4.806e-06 2.349e-06 / + +! Reaction index: Chemkin #2948; RMG #9408 +! PDep reaction: PDepNetwork #84 +! Flux pairs: HOCO(10), C2H3O3(1053); CH2O(12), C2H3O3(1053); +HOCO(10)+CH2O(12)(+M)<=>C2H3O3(1053)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.582e+00 1.421e-02 -2.025e-01 -3.565e-02 / + CHEB/ 8.223e+00 6.039e-01 -4.303e-02 4.927e-03 / + CHEB/ 1.281e-01 2.603e-01 -1.722e-02 -3.581e-03 / + CHEB/ -7.279e-02 8.275e-02 2.051e-02 -5.507e-03 / + CHEB/ -5.068e-03 -1.445e-02 1.516e-02 -5.770e-04 / + CHEB/ 3.399e-02 -2.273e-02 2.344e-03 1.548e-03 / + +! Reaction index: Chemkin #2949; RMG #9409 +! PDep reaction: PDepNetwork #84 +! Flux pairs: HOCO(10), CHO3(986); CH2O(12), CH2(21); +HOCO(10)+CH2O(12)(+M)<=>CHO3(986)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.810e+01 -4.972e-01 -1.872e-01 -2.449e-02 / + CHEB/ 2.496e+01 2.731e-01 5.526e-02 -2.225e-02 / + CHEB/ 9.929e-02 -3.620e-02 2.901e-03 7.485e-03 / + CHEB/ -5.146e-03 -3.937e-02 -1.327e-02 1.361e-03 / + CHEB/ -4.001e-03 -5.310e-03 -4.052e-03 -1.369e-03 / + CHEB/ 1.215e-03 9.674e-03 3.656e-03 -4.024e-05 / + +! Reaction index: Chemkin #2950; RMG #9410 +! PDep reaction: PDepNetwork #84 +! Flux pairs: HOCO(10), CHO3(986); CH2O(12), CH2(S)(22); +HOCO(10)+CH2O(12)(+M)<=>CHO3(986)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.334e+01 -6.524e-01 -2.842e-01 -6.168e-02 / + CHEB/ 2.768e+01 3.996e-01 1.333e-01 2.430e-03 / + CHEB/ 1.048e-01 6.794e-03 2.336e-02 1.600e-02 / + CHEB/ 6.569e-03 -1.753e-02 -4.191e-03 3.149e-03 / + CHEB/ -1.472e-02 -1.409e-02 -6.718e-03 -1.154e-03 / + CHEB/ -1.205e-02 -3.491e-03 -1.667e-03 -6.031e-04 / + +! Reaction index: Chemkin #2951; RMG #9411 +! PDep reaction: PDepNetwork #84 +! Flux pairs: HOCO(10), CH3OCO(98); CH2O(12), O(16); +HOCO(10)+CH2O(12)(+M)<=>O(16)+CH3OCO(98)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.643e+01 -5.370e-01 -2.451e-01 -6.042e-02 / + CHEB/ 3.024e+01 3.541e-01 1.312e-01 1.163e-02 / + CHEB/ 1.220e-01 4.279e-03 1.807e-02 1.375e-02 / + CHEB/ 2.006e-02 -1.407e-02 -4.541e-03 1.443e-03 / + CHEB/ -7.290e-03 -1.058e-02 -5.608e-03 -1.569e-03 / + CHEB/ -1.094e-02 -1.645e-03 -8.564e-04 -4.329e-04 / + +! Reaction index: Chemkin #2952; RMG #9412 +! PDep reaction: PDepNetwork #84 +! Flux pairs: HOCO(10), CO2(9); CH2O(12), CH3O(27); +HOCO(10)+CH2O(12)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.234e-01 -1.523e+00 -2.005e-01 -3.487e-02 / + CHEB/ 8.642e+00 5.784e-01 -4.186e-02 6.516e-03 / + CHEB/ 2.306e-01 2.506e-01 -2.005e-02 -2.502e-03 / + CHEB/ -4.303e-03 8.467e-02 1.684e-02 -5.400e-03 / + CHEB/ -1.099e-02 -9.698e-03 1.317e-02 -1.120e-03 / + CHEB/ 8.909e-03 -1.998e-02 2.014e-03 1.051e-03 / +DUPLICATE + +! Reaction index: Chemkin #2953; RMG #9422 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), O(16); C2H3O3(1029), C2H3O2(1042); +C2H3O3(1029)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.302e+01 1.512e+00 -5.119e-03 -2.404e-03 / + CHEB/ 3.219e+01 7.574e-03 4.626e-03 2.158e-03 / + CHEB/ 4.765e-01 -1.776e-03 -1.077e-03 -4.955e-04 / + CHEB/ 2.568e-01 -1.579e-04 -1.021e-04 -5.293e-05 / + CHEB/ 1.307e-01 -1.837e-04 -1.116e-04 -5.152e-05 / + CHEB/ 3.096e-02 -8.717e-05 -5.324e-05 -2.481e-05 / + +! Reaction index: Chemkin #2954; RMG #9426 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), O(16); C2H3O3(1029), C2H3O2(1046); +C2H3O3(1029)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.502e+01 1.483e+00 -2.238e-02 -9.876e-03 / + CHEB/ 3.309e+01 3.685e-02 2.158e-02 9.245e-03 / + CHEB/ 1.157e+00 -2.234e-03 -1.061e-03 -2.331e-04 / + CHEB/ 4.810e-01 -1.117e-04 -1.152e-04 -9.003e-05 / + CHEB/ 2.003e-01 -1.635e-03 -9.447e-04 -3.932e-04 / + CHEB/ 4.268e-02 4.073e-04 2.287e-04 8.876e-05 / + +! Reaction index: Chemkin #2955; RMG #10047 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), C2H3O3(1029); C2H2O3(1031), C2H3O3(1029); +H(5)+C2H2O3(1031)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.277e+00 5.596e-01 -2.008e-01 -8.064e-03 / + CHEB/ 3.944e+00 6.925e-01 7.855e-02 -5.826e-03 / + CHEB/ 2.121e-01 1.554e-01 5.593e-02 -5.235e-03 / + CHEB/ 8.485e-02 4.369e-02 2.474e-02 6.861e-03 / + CHEB/ 7.096e-02 -1.552e-02 1.016e-02 5.883e-03 / + CHEB/ 4.236e-02 -1.012e-03 3.435e-03 3.736e-03 / + +! Reaction index: Chemkin #2956; RMG #9431 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), O-2(1040); C2H3O3(1029), C2H3O2(1046); +C2H3O3(1029)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.304e+01 1.515e+00 -3.740e-03 -1.769e-03 / + CHEB/ 4.668e+01 2.479e-03 1.516e-03 7.094e-04 / + CHEB/ 7.425e-01 8.319e-05 5.635e-05 3.108e-05 / + CHEB/ 2.761e-01 -3.459e-05 -2.187e-05 -1.072e-05 / + CHEB/ 8.134e-02 5.577e-05 3.534e-05 1.762e-05 / + CHEB/ -1.313e-02 4.255e-05 2.610e-05 1.229e-05 / + +! Reaction index: Chemkin #2957; RMG #9432 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), O(16); C2H3O3(1029), OC1[CH]O1(1140); +C2H3O3(1029)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.527e+01 1.510e+00 -6.771e-03 -3.194e-03 / + CHEB/ 4.108e+01 7.071e-03 4.327e-03 2.027e-03 / + CHEB/ 9.389e-01 -2.900e-04 -1.684e-04 -7.075e-05 / + CHEB/ 4.271e-01 -6.707e-05 -4.280e-05 -2.150e-05 / + CHEB/ 1.587e-01 -9.270e-05 -5.462e-05 -2.366e-05 / + CHEB/ 2.605e-02 1.165e-04 7.111e-05 3.316e-05 / + +! Reaction index: Chemkin #2958; RMG #9434 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), O(16); C2H3O3(1029), CH2OCHO(97); +C2H3O3(1029)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.184e+01 1.487e+00 -2.031e-02 -9.309e-03 / + CHEB/ 3.519e+01 3.075e-02 1.847e-02 8.327e-03 / + CHEB/ 1.250e+00 -2.205e-03 -1.232e-03 -4.710e-04 / + CHEB/ 6.206e-01 -4.966e-04 -3.252e-04 -1.710e-04 / + CHEB/ 2.566e-01 -1.329e-03 -7.864e-04 -3.442e-04 / + CHEB/ 6.564e-02 1.719e-04 9.686e-05 3.792e-05 / + +! Reaction index: Chemkin #2959; RMG #9486 +! PDep reaction: PDepNetwork #383 +! Flux pairs: C2H4O2(1116), H2O(17); C2H4O2(1116), CH2CO(30); +C2H4O2(1116)(+M)<=>H2O(17)+CH2CO(30)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.149e+00 -9.066e-01 -5.637e-02 6.927e-04 / + CHEB/ 1.763e+01 1.042e+00 -7.688e-02 -2.465e-03 / + CHEB/ 5.985e-01 6.191e-01 -7.770e-03 -7.034e-03 / + CHEB/ -1.439e-01 2.227e-01 3.218e-02 -4.502e-03 / + CHEB/ -1.549e-01 7.639e-03 2.708e-02 1.551e-03 / + CHEB/ -6.537e-02 -4.359e-02 5.099e-03 3.809e-03 / + +! Reaction index: Chemkin #2960; RMG #6610 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1116), C2H3O2(1088); OH(3), H2O(17); +! From training reaction 692 used for O/H/OneDeC;O_pri_rad +! Exact match found for rate rule [O/H/OneDeC;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+C2H4O2(1116)<=>H2O(17)+C2H3O2(1088) 2.400000e+06 2.000 -0.250 + +! Reaction index: Chemkin #2961; RMG #6677 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1116), C2H3O2(1088); H(5), H2(6); +! From training reaction 690 used for O/H/OneDeC;H_rad +! Exact match found for rate rule [O/H/OneDeC;H_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +H(5)+C2H4O2(1116)<=>H2(6)+C2H3O2(1088) 4.800000e+08 1.500 6.620 + +! Reaction index: Chemkin #2962; RMG #9485 +! PDep reaction: PDepNetwork #383 +! Flux pairs: C2H4O2(1116), CO2(9); C2H4O2(1116), CH4(20); +C2H4O2(1116)(+M)<=>CO2(9)+CH4(20)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.755e+00 -9.356e-01 -5.133e-02 9.695e-05 / + CHEB/ 1.688e+01 1.002e+00 -7.203e-02 -2.651e-03 / + CHEB/ 6.515e-01 6.144e-01 -1.086e-02 -6.184e-03 / + CHEB/ -1.348e-01 2.368e-01 2.776e-02 -4.187e-03 / + CHEB/ -1.634e-01 1.929e-02 2.622e-02 1.086e-03 / + CHEB/ -7.157e-02 -4.098e-02 6.501e-03 3.535e-03 / + +! Reaction index: Chemkin #2963; RMG #6760 +! PDep reaction: PDepNetwork #236 +! Flux pairs: HOCO(10), C2H4O2(1116); CH3(7), C2H4O2(1116); +HOCO(10)+CH3(7)(+M)<=>C2H4O2(1116)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.957e+00 -6.267e-01 -1.300e-01 1.502e-02 / + CHEB/ 1.108e+00 1.267e+00 -8.930e-02 -1.351e-02 / + CHEB/ 9.806e-02 5.208e-01 5.400e-02 -2.103e-02 / + CHEB/ -1.066e-01 7.599e-02 6.244e-02 -1.522e-03 / + CHEB/ -6.965e-02 -5.143e-02 1.854e-02 7.798e-03 / + CHEB/ -2.760e-02 -3.844e-02 -7.106e-03 3.943e-03 / + +! Reaction index: Chemkin #2964; RMG #9482 +! PDep reaction: PDepNetwork #383 +! Flux pairs: C2H4O2(1116), C2H4O2(1024); +C2H4O2(1116)(+M)<=>C2H4O2(1024)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.053e+00 2.946e-01 -2.452e-02 -1.141e-03 / + CHEB/ 1.163e+01 5.355e-01 -4.017e-02 -2.725e-03 / + CHEB/ 6.284e-01 3.984e-01 -1.923e-02 -3.392e-03 / + CHEB/ -5.375e-02 2.338e-01 1.399e-03 -3.081e-03 / + CHEB/ -1.285e-01 9.695e-02 1.196e-02 -1.492e-03 / + CHEB/ -7.779e-02 1.553e-02 1.117e-02 4.038e-04 / + +! Reaction index: Chemkin #2965; RMG #7512 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1116), C2H3O2(1088); O(16), OH(3); +! From training reaction 691 used for O/H/OneDeC;O_atom_triplet +! Exact match found for rate rule [O/H/OneDeC;O_atom_triplet] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +O(16)+C2H4O2(1116)<=>OH(3)+C2H3O2(1088) 3.400000e+08 1.500 4.130 + +! Reaction index: Chemkin #2966; RMG #7620 +! PDep reaction: PDepNetwork #302 +! Flux pairs: OH(3), C2H4O2(1116); CH3CO(47), C2H4O2(1116); +OH(3)+CH3CO(47)(+M)<=>C2H4O2(1116)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.070e+01 -3.006e-02 -2.791e-01 2.835e-02 / + CHEB/ 4.077e-01 1.205e+00 7.479e-02 -6.359e-02 / + CHEB/ 5.223e-03 2.651e-01 1.206e-01 -1.971e-03 / + CHEB/ -4.157e-02 -2.926e-02 3.529e-02 1.836e-02 / + CHEB/ -1.941e-02 -5.001e-02 -8.826e-03 7.510e-03 / + CHEB/ -1.063e-02 -1.699e-02 -1.134e-02 -1.426e-03 / + +! Reaction index: Chemkin #2967; RMG #7695 +! PDep reaction: PDepNetwork #324 +! Flux pairs: H(5), C2H4O2(1116); C2H3O2(1088), C2H4O2(1116); +H(5)+C2H3O2(1088)(+M)<=>C2H4O2(1116)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.285e+01 4.719e-01 -9.556e-02 1.146e-02 / + CHEB/ -5.809e-01 5.960e-01 -5.507e-02 -1.388e-02 / + CHEB/ -3.322e-01 2.091e-01 3.226e-02 -1.479e-02 / + CHEB/ -1.271e-01 2.012e-02 3.396e-02 -2.433e-04 / + CHEB/ -3.833e-02 -1.715e-02 1.049e-02 5.280e-03 / + CHEB/ -1.496e-02 -4.557e-03 -1.685e-03 2.594e-03 / + +! Reaction index: Chemkin #2968; RMG #7739 +! PDep reaction: PDepNetwork #262 +! Flux pairs: C2H4O2(1024), C2H4O2(1116); H(5), H(5); +H(5)+C2H4O2(1024)(+M)<=>H(5)+C2H4O2(1116)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.469e-01 -8.719e-02 -4.793e-02 -1.801e-02 / + CHEB/ 1.104e+01 9.676e-02 5.133e-02 1.767e-02 / + CHEB/ 2.453e-01 -1.887e-02 -8.289e-03 -1.362e-03 / + CHEB/ 6.701e-02 2.419e-03 7.314e-04 -1.774e-04 / + CHEB/ 2.320e-02 4.595e-03 2.634e-03 1.054e-03 / + CHEB/ 8.662e-03 1.090e-03 7.273e-04 3.878e-04 / + +! Reaction index: Chemkin #2969; RMG #9450 +! PDep reaction: PDepNetwork #78 +! Flux pairs: CO2(9), C2H3O(1084); CH4(20), OH(3); +CO2(9)+CH4(20)(+M)<=>OH(3)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.470e+01 -2.545e-01 -1.295e-01 -4.114e-02 / + CHEB/ 4.833e+01 2.704e-01 1.309e-01 3.624e-02 / + CHEB/ 4.019e-02 3.953e-03 8.860e-03 7.913e-03 / + CHEB/ -3.449e-02 -2.273e-02 -1.118e-02 -2.914e-03 / + CHEB/ -1.663e-02 -7.139e-03 -4.727e-03 -2.316e-03 / + CHEB/ -3.561e-03 2.059e-04 -2.866e-04 -4.673e-04 / + +! Reaction index: Chemkin #2970; RMG #9453 +! PDep reaction: PDepNetwork #171 +! Flux pairs: CH2CO(30), C2H3O(1084); H2O(17), OH(3); +H2O(17)+CH2CO(30)(+M)<=>OH(3)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.892e+01 -2.541e-01 -1.293e-01 -4.107e-02 / + CHEB/ 3.472e+01 2.704e-01 1.309e-01 3.627e-02 / + CHEB/ 4.427e-02 3.718e-03 8.737e-03 7.874e-03 / + CHEB/ -1.652e-02 -2.281e-02 -1.124e-02 -2.944e-03 / + CHEB/ -6.674e-03 -7.125e-03 -4.724e-03 -2.320e-03 / + CHEB/ 5.580e-04 2.305e-04 -2.730e-04 -4.625e-04 / + +! Reaction index: Chemkin #2971; RMG #9456 +! PDep reaction: PDepNetwork #236 +! Flux pairs: HOCO(10), C2H3O(1084); CH3(7), OH(3); +HOCO(10)+CH3(7)(+M)<=>OH(3)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.273e+00 -2.521e-01 -1.283e-01 -4.079e-02 / + CHEB/ 1.465e+01 2.698e-01 1.308e-01 3.633e-02 / + CHEB/ -8.373e-02 2.441e-03 8.052e-03 7.637e-03 / + CHEB/ -5.152e-02 -2.319e-02 -1.150e-02 -3.081e-03 / + CHEB/ -1.825e-02 -7.003e-03 -4.680e-03 -2.325e-03 / + CHEB/ -4.306e-03 3.566e-04 -2.004e-04 -4.344e-04 / + +! Reaction index: Chemkin #2972; RMG #9459 +! PDep reaction: PDepNetwork #261 +! Flux pairs: C2H4O2(1024), OH(3); C2H4O2(1024), C2H3O(1084); +C2H4O2(1024)(+M)<=>OH(3)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.095e+01 1.257e+00 -1.344e-01 -4.279e-02 / + CHEB/ 4.389e+01 2.682e-01 1.290e-01 3.500e-02 / + CHEB/ -5.153e-01 7.067e-03 1.040e-02 8.314e-03 / + CHEB/ -2.280e-01 -2.135e-02 -1.027e-02 -2.461e-03 / + CHEB/ -6.590e-02 -7.373e-03 -4.755e-03 -2.234e-03 / + CHEB/ -2.318e-03 -2.372e-04 -5.229e-04 -5.421e-04 / + +! Reaction index: Chemkin #2973; RMG #9462 +! PDep reaction: PDepNetwork #302 +! Flux pairs: CH3CO(47), C2H3O(1084); OH(3), OH(3); +OH(3)+CH3CO(47)(+M)<=>OH(3)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.357e-01 -2.467e-01 -1.256e-01 -3.995e-02 / + CHEB/ 1.062e+01 2.693e-01 1.309e-01 3.669e-02 / + CHEB/ 1.676e-01 -4.595e-04 6.524e-03 7.138e-03 / + CHEB/ 2.386e-02 -2.406e-02 -1.210e-02 -3.401e-03 / + CHEB/ 3.808e-03 -6.667e-03 -4.554e-03 -2.333e-03 / + CHEB/ 1.737e-03 7.054e-04 -4.057e-07 -3.573e-04 / + +! Reaction index: Chemkin #2974; RMG #9465 +! PDep reaction: PDepNetwork #324 +! Flux pairs: C2H3O2(1088), C2H3O(1084); H(5), OH(3); +H(5)+C2H3O2(1088)(+M)<=>OH(3)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.397e-01 -8.322e-02 -4.449e-02 -1.607e-02 / + CHEB/ 1.231e+01 7.797e-02 4.006e-02 1.326e-02 / + CHEB/ -2.243e-01 7.476e-03 4.900e-03 2.292e-03 / + CHEB/ -4.598e-02 -5.017e-03 -2.156e-03 -3.350e-04 / + CHEB/ 1.343e-03 -2.125e-03 -1.156e-03 -3.693e-04 / + CHEB/ 3.256e-03 -4.251e-04 -3.366e-04 -1.952e-04 / + +! Reaction index: Chemkin #2975; RMG #9470 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1116); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+C2H3O2(1088)<=>CO(8)+C2H4O2(1116) 9.030000e+13 0.000 0.130 + +! Reaction index: Chemkin #2976; RMG #9472 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1116); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+C2H3O2(1088)<=>CO2(9)+C2H4O2(1116) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #2977; RMG #9474 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1116); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+C2H3O2(1088)<=>CO2(9)+C2H4O2(1116) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #2978; RMG #9480 +! PDep reaction: PDepNetwork #383 +! Flux pairs: C2H4O2(1116), OH(3); C2H4O2(1116), C2H3O(1084); +C2H4O2(1116)(+M)<=>OH(3)+C2H3O(1084)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.843e+01 1.446e+00 -4.183e-02 -1.664e-02 / + CHEB/ 3.389e+01 6.407e-02 3.508e-02 1.310e-02 / + CHEB/ -4.297e-01 1.065e-03 9.929e-04 7.210e-04 / + CHEB/ -8.793e-02 -6.128e-03 -3.324e-03 -1.221e-03 / + CHEB/ -1.076e-02 -1.392e-03 -8.084e-04 -3.386e-04 / + CHEB/ -1.252e-02 7.163e-04 4.021e-04 1.640e-04 / + +! Reaction index: Chemkin #2979; RMG #759 +! Library reaction: CurranPentane +! Flux pairs: H(5), CH3OCHO(95); CH2OCHO(97), CH3OCHO(95); +H(5)+CH2OCHO(97)<=>CH3OCHO(95) 1.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #2980; RMG #760 +! Library reaction: CurranPentane +! Flux pairs: H(5), CH3OCHO(95); CH3OCO(98), CH3OCHO(95); +H(5)+CH3OCO(98)<=>CH3OCHO(95) 1.000000e+14 0.000 0.000 + +! Reaction index: Chemkin #2981; RMG #761 +! Library reaction: CurranPentane +! Flux pairs: HCO(13), CH3OCHO(95); CH3O(27), CH3OCHO(95); +HCO(13)+CH3O(27)<=>CH3OCHO(95) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2982; RMG #762 +! Library reaction: CurranPentane +! Flux pairs: OCHO(11), CH3OCHO(95); CH3(7), CH3OCHO(95); +OCHO(11)+CH3(7)<=>CH3OCHO(95) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #2983; RMG #763 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH3OCO(98); O2(2), HO2(4); +O2(2)+CH3OCHO(95)<=>HO2(4)+CH3OCO(98) 1.000000e+13 0.000 49.700 + +! Reaction index: Chemkin #2984; RMG #764 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH2OCHO(97); O2(2), HO2(4); +O2(2)+CH3OCHO(95)<=>HO2(4)+CH2OCHO(97) 2.050000e+13 0.000 52.000 + +! Reaction index: Chemkin #2985; RMG #765 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH3OCO(98); OH(3), H2O(17); +OH(3)+CH3OCHO(95)<=>H2O(17)+CH3OCO(98) 1.580000e+07 1.800 0.934 + +! Reaction index: Chemkin #2986; RMG #766 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH2OCHO(97); OH(3), H2O(17); +OH(3)+CH3OCHO(95)<=>H2O(17)+CH2OCHO(97) 5.270000e+09 0.970 1.586 + +! Reaction index: Chemkin #2987; RMG #767 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH3OCO(98); HO2(4), H2O2(18); +HO2(4)+CH3OCHO(95)<=>H2O2(18)+CH3OCO(98) 4.820000e+03 2.600 13.910 + +! Reaction index: Chemkin #2988; RMG #768 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH2OCHO(97); HO2(4), H2O2(18); +HO2(4)+CH3OCHO(95)<=>H2O2(18)+CH2OCHO(97) 2.380000e+04 2.550 16.490 + +! Reaction index: Chemkin #2989; RMG #769 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH3OCO(98); O(16), OH(3); +O(16)+CH3OCHO(95)<=>OH(3)+CH3OCO(98) 2.755000e+05 2.450 2.830 + +! Reaction index: Chemkin #2990; RMG #770 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH2OCHO(97); O(16), OH(3); +O(16)+CH3OCHO(95)<=>OH(3)+CH2OCHO(97) 9.800000e+05 2.430 4.750 + +! Reaction index: Chemkin #2991; RMG #771 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH3OCO(98); H(5), H2(6); +H(5)+CH3OCHO(95)<=>H2(6)+CH3OCO(98) 6.500000e+05 2.400 4.471 + +! Reaction index: Chemkin #2992; RMG #772 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH2OCHO(97); H(5), H2(6); +H(5)+CH3OCHO(95)<=>H2(6)+CH2OCHO(97) 6.650000e+05 2.540 6.756 + +! Reaction index: Chemkin #2993; RMG #773 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH3OCO(98); CH3(7), CH4(20); +CH3(7)+CH3OCHO(95)<=>CH4(20)+CH3OCO(98) 7.550000e-01 3.460 5.481 + +! Reaction index: Chemkin #2994; RMG #774 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH2OCHO(97); CH3(7), CH4(20); +CH3(7)+CH3OCHO(95)<=>CH4(20)+CH2OCHO(97) 4.520000e-01 3.650 7.154 + +! Reaction index: Chemkin #2995; RMG #775 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH3OCO(98); CH3O(27), CH3OH(25); +CH3O(27)+CH3OCHO(95)<=>CH3OH(25)+CH3OCO(98) 5.480000e+11 0.000 5.000 + +! Reaction index: Chemkin #2996; RMG #776 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH2OCHO(97); CH3O(27), CH3OH(25); +CH3O(27)+CH3OCHO(95)<=>CH3OH(25)+CH2OCHO(97) 2.170000e+11 0.000 6.458 + +! Reaction index: Chemkin #2997; RMG #779 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH3OCO(98); HCO(13), CH2O(12); +HCO(13)+CH3OCHO(95)<=>CH2O(12)+CH3OCO(98) 5.400000e+06 1.900 17.010 + +! Reaction index: Chemkin #2998; RMG #780 +! Library reaction: CurranPentane +! Flux pairs: CH3OCHO(95), CH2OCHO(97); HCO(13), CH2O(12); +HCO(13)+CH3OCHO(95)<=>CH2O(12)+CH2OCHO(97) 1.025000e+05 2.500 18.430 + +! Reaction index: Chemkin #2999; RMG #4031 +! Library reaction: Methylformate +! Flux pairs: CH3OCHO(95), CO(8); CH3OCHO(95), CH3OH(25); +CH3OCHO(95)<=>CO(8)+CH3OH(25) 2.128000e+12 0.735 68.628 + +! Reaction index: Chemkin #3000; RMG #4032 +! Library reaction: Methylformate +! Flux pairs: CH3OCHO(95), CH2O(12); CH3OCHO(95), CH2O(12); +CH3OCHO(95)<=>CH2O(12)+CH2O(12) 2.158000e+09 1.280 75.979 + +! Reaction index: Chemkin #3001; RMG #4033 +! Library reaction: Methylformate +! Flux pairs: CH3OCHO(95), CO2(9); CH3OCHO(95), CH4(20); +CH3OCHO(95)<=>CO2(9)+CH4(20) 4.536000e+11 0.832 83.612 + +! Reaction index: Chemkin #3002; RMG #6386 +! PDep reaction: PDepNetwork #138 +! Flux pairs: FA(1), CH3OCHO(95); CH3(7), H(5); +FA(1)+CH3(7)(+M)<=>H(5)+CH3OCHO(95)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.938e-01 -5.707e-04 -3.523e-04 -1.678e-04 / + CHEB/ 1.046e+01 5.819e-04 3.591e-04 1.709e-04 / + CHEB/ 2.187e-01 -8.023e-05 -4.944e-05 -2.347e-05 / + CHEB/ 8.380e-02 1.062e-05 6.536e-06 3.093e-06 / + CHEB/ 3.565e-02 -5.391e-07 -3.290e-07 -1.531e-07 / + CHEB/ 1.867e-03 -7.802e-07 -4.821e-07 -2.300e-07 / + +! Reaction index: Chemkin #3003; RMG #9488 +! PDep reaction: PDepNetwork #383 +! Flux pairs: C2H4O2(1116), H(5); C2H4O2(1116), CH3CO2(73); +C2H4O2(1116)(+M)<=>H(5)+CH3CO2(73)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.052e+01 1.795e-01 -2.782e-01 1.931e-02 / + CHEB/ 2.556e+01 1.220e+00 1.394e-01 -6.082e-02 / + CHEB/ -2.206e-01 1.883e-01 1.217e-01 1.325e-02 / + CHEB/ -8.949e-02 -7.215e-02 1.472e-02 2.048e-02 / + CHEB/ -1.795e-02 -5.472e-02 -1.911e-02 3.230e-03 / + CHEB/ -5.672e-03 -1.117e-02 -1.108e-02 -3.655e-03 / + +! Reaction index: Chemkin #3004; RMG #9495 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+CH2OCHO(97)<=>FA(1)+CH3OCHO(95) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3005; RMG #9496 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+CH3OCO(98)<=>FA(1)+CH3OCHO(95) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #3006; RMG #9497 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+CH2OCHO(97)<=>FA(1)+CH3OCHO(95) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3007; RMG #9498 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+CH3OCO(98)<=>FA(1)+CH3OCHO(95) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3008; RMG #9505 +! Template reaction: CO_Disproportionation +! Flux pairs: O[CH]OO(1038), HOCH2O2H(71); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C_Sp-5O-4C +HCO(13)+O[CH]OO(1038)<=>CO(8)+HOCH2O2H(71) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #3009; RMG #9506 +! Template reaction: CO_Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C_Sp-5O-4C +HCO(13)+CH2OCHO(97)<=>CO(8)+CH3OCHO(95) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #3010; RMG #9507 +! Template reaction: CO_Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_4CO->C_Sp-5O-4C +HCO(13)+CH3OCO(98)<=>CO(8)+CH3OCHO(95) 1.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #3011; RMG #9510 +! Template reaction: Disproportionation +! Flux pairs: O[CH]OO(1038), HOCH2O2H(71); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+O[CH]OO(1038)<=>CO2(9)+HOCH2O2H(71) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3012; RMG #9513 +! Template reaction: Disproportionation +! Flux pairs: O[CH]OO(1038), HOCH2O2H(71); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+O[CH]OO(1038)<=>CO2(9)+HOCH2O2H(71) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3013; RMG #9514 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+CH2OCHO(97)<=>CO2(9)+CH3OCHO(95) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3014; RMG #9515 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +HOCO(10)+CH3OCO(98)<=>CO2(9)+CH3OCHO(95) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #3015; RMG #9516 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+CH2OCHO(97)<=>CO2(9)+CH3OCHO(95) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3016; RMG #9517 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+CH3OCO(98)<=>CO2(9)+CH3OCHO(95) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3017; RMG #9520 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+CH2OCHO(97)<=>CH2O(12)+CH3OCHO(95) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3018; RMG #9521 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CH2OH(26)+CH3OCO(98)<=>CH2O(12)+CH3OCHO(95) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #3019; RMG #9522 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+CH2OCHO(97)<=>CH2O(12)+CH3OCHO(95) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #3020; RMG #9523 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+CH3OCO(98)<=>CH2O(12)+CH3OCHO(95) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #3021; RMG #9528 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1032), C2H2O3(1031); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+C2H3O3(1032)<=>H2O2(18)+C2H2O3(1031) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3022; RMG #9536 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1056), C2H3O2(1046); CHO3(986), CH2O3(1000); +! Estimated using template [C/H2/OneDe;O_sec_rad] for rate rule [C/H2/OneDeO;O_rad/OneDeC] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO3(986)+C2H4O2(1056)<=>CH2O3(1000)+C2H3O2(1046) 1.725296e+02 3.049 8.853 + +! Reaction index: Chemkin #3023; RMG #9540 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+CH2OCHO(97)<=>CH2O3(1000)+CH3OCHO(95) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #3024; RMG #9541 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+CH3OCO(98)<=>CH2O3(1000)+CH3OCHO(95) 5.430000e+14 0.000 0.000 + +! Reaction index: Chemkin #3025; RMG #9542 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+CH2OCHO(97)<=>CH2O3(1000)+CH3OCHO(95) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3026; RMG #9543 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+CH3OCO(98)<=>CH2O3(1000)+CH3OCHO(95) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3027; RMG #9552 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +C2H3O2(1046)+OCH2CHO(510)<=>OCHCHO(52)+C2H4O2(1056) 1.810000e+13 0.000 0.000 +DUPLICATE + +! Reaction index: Chemkin #3028; RMG #9553 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +C2H3O2(1046)+C2H3O2(1046)<=>OCHCHO(52)+C2H4O2(1056) 2.855610e+13 -0.375 2.203 + +! Reaction index: Chemkin #3029; RMG #9554 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +C2H3O2(1046)+C2H3O2(1042)<=>OCHCHO(52)+C2H4O2(1056) 1.810000e+14 0.000 0.669 + +! Reaction index: Chemkin #3030; RMG #9555 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); OCH2CHO(510), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCH2CHO(510)+OCH2CHO(510)<=>OCHCHO(52)+C2H4O2(1056) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3031; RMG #9556 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); C2H3O2(1046), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1046)+OCH2CHO(510)<=>OCHCHO(52)+C2H4O2(1056) 4.721160e+13 -0.372 0.000 +DUPLICATE + +! Reaction index: Chemkin #3032; RMG #9557 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); C2H3O2(1042), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1042)+OCH2CHO(510)<=>OCHCHO(52)+C2H4O2(1056) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #3033; RMG #9560 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), CH3OCHO(95); CH2OCHO(97), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OCHO(97)+C2H3O2(1046)<=>OCHCHO(52)+CH3OCHO(95) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3034; RMG #9561 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), CH3OCHO(95); CH3OCO(98), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CH3OCO(98)+C2H3O2(1046)<=>OCHCHO(52)+CH3OCHO(95) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #3035; RMG #9562 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), CH3OCHO(95); CH2OCHO(97), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CH2OCHO(97)+OCH2CHO(510)<=>OCHCHO(52)+CH3OCHO(95) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #3036; RMG #9563 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), CH3OCHO(95); CH3OCO(98), OCHCHO(52); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CH3OCO(98)+OCH2CHO(510)<=>OCHCHO(52)+CH3OCHO(95) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #3037; RMG #9574 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CH2OCHO(97), CH3OCHO(95); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OCHO(97)+C2H3O3(1066)<=>C2H2O3(977)+CH3OCHO(95) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3038; RMG #9575 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CH3OCO(98), CH3OCHO(95); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +CH3OCO(98)+C2H3O3(1066)<=>C2H2O3(977)+CH3OCHO(95) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #3039; RMG #9576 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CH2OCHO(97), CH3OCHO(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +CH2OCHO(97)+C2H3O3(1012)<=>C2H2O3(977)+CH3OCHO(95) 4.820000e+11 0.000 0.000 + +! Reaction index: Chemkin #3040; RMG #9577 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CH3OCO(98), CH3OCHO(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +CH3OCO(98)+C2H3O3(1012)<=>C2H2O3(977)+CH3OCHO(95) 4.820000e+11 0.000 0.000 + +! Reaction index: Chemkin #3041; RMG #9578 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CH2OCHO(97), CH3OCHO(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CH2OCHO(97)+C2H3O3(1029)<=>C2H2O3(977)+CH3OCHO(95) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #3042; RMG #9579 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CH3OCO(98), CH3OCHO(95); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CH3OCO(98)+C2H3O3(1029)<=>C2H2O3(977)+CH3OCHO(95) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #3043; RMG #10029 +! PDep reaction: PDepNetwork #395 +! Flux pairs: CH2(S)(22), CH3OCHO(95); FA(1), CH3OCHO(95); +CH2(S)(22)+FA(1)(+M)<=>CH3OCHO(95)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.205e+01 6.942e-02 -1.875e-02 1.529e-03 / + CHEB/ 7.979e-02 1.322e-01 -3.501e-02 2.549e-03 / + CHEB/ -4.894e-02 1.142e-01 -2.837e-02 1.260e-03 / + CHEB/ -6.143e-02 8.933e-02 -1.961e-02 -2.449e-04 / + CHEB/ -5.111e-02 6.314e-02 -1.103e-02 -1.402e-03 / + CHEB/ -3.644e-02 4.008e-02 -4.319e-03 -1.918e-03 / + +! Reaction index: Chemkin #3044; RMG #9605 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +C2H3O(1084)+CH2OCHO(97)<=>CH2CO(30)+CH3OCHO(95) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3045; RMG #9606 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +C2H3O(1084)+CH3OCO(98)<=>CH2CO(30)+CH3OCHO(95) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #3046; RMG #9607 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH3CO(47)+CH2OCHO(97)<=>CH2CO(30)+CH3OCHO(95) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #3047; RMG #9608 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH3CO(47)+CH3OCO(98)<=>CH2CO(30)+CH3OCHO(95) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #3048; RMG #9609 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2CHO(45)+CH2OCHO(97)<=>CH2CO(30)+CH3OCHO(95) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3049; RMG #9610 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2CHO(45)+CH3OCO(98)<=>CH2CO(30)+CH3OCHO(95) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3050; RMG #9615 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1116); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2H3O2(1088)<=>FA(1)+C2H4O2(1116) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3051; RMG #9617 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1116); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2H3O2(1088)<=>FA(1)+C2H4O2(1116) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3052; RMG #9620 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1032), C2H2O3(1031); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_N-7R!H->C +HCO(13)+C2H3O3(1032)<=>CH2O(12)+C2H2O3(1031) 2.410000e+11 0.000 1.430 + +! Reaction index: Chemkin #3053; RMG #9622 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(1031); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+C2HO3(991)<=>CH2O(12)+C2H2O3(1031) 1.810000e+13 0.000 1.782 + +! Reaction index: Chemkin #3054; RMG #9623 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(1031); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2HO3(991)<=>CH2O(12)+C2H2O3(1031) 1.080000e+07 2.000 0.890 + +! Reaction index: Chemkin #3055; RMG #9625 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+C2H3O2(1042)<=>CH2O(12)+C2H2O2(1030) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3056; RMG #9626 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCO(13)+C2H3O2(1046)<=>CH2O(12)+C2H2O2(1030) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3057; RMG #9627 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2H2O2(1030); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+OCHCO(63)<=>CH2O(12)+C2H2O2(1030) 1.810000e+13 0.000 0.802 + +! Reaction index: Chemkin #3058; RMG #9628 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2H2O2(1030); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +CH2OH(26)+[O]C#CO(1004)<=>CH2O(12)+C2H2O2(1030) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #3059; RMG #9629 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2H2O2(1030); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+OCHCO(63)<=>CH2O(12)+C2H2O2(1030) 1.080000e+07 2.000 0.287 + +! Reaction index: Chemkin #3060; RMG #9630 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2H2O2(1030); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+[O]C#CO(1004)<=>CH2O(12)+C2H2O2(1030) 1.107450e+09 1.263 0.000 + +! Reaction index: Chemkin #3061; RMG #9632 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH3(7)+C2H3O2(1042)<=>CH4(20)+C2H2O2(1030) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3062; RMG #9633 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH3(7)+C2H3O2(1046)<=>CH4(20)+C2H2O2(1030) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3063; RMG #9636 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); O[C]1OO1(1008), CO3(1034); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +O[C]1OO1(1008)+HOCH2O(38)<=>CO3(1034)+OCO(1022) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3064; RMG #9637 +! Template reaction: Disproportionation +! Flux pairs: O[C]1OO1(1008), CO3(1034); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[C]1OO1(1008)+O[CH]O(970)<=>CO3(1034)+OCO(1022) 4.820000e+12 0.000 0.000 + +! Reaction index: Chemkin #3065; RMG #9638 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +[O]C1OO1(1041)+HOCH2O(38)<=>CO3(1034)+OCO(1022) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3066; RMG #9639 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OO1(1041), CO3(1034); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C1OO1(1041)+O[CH]O(970)<=>CO3(1034)+OCO(1022) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3067; RMG #9641 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1032), C2H2O3(1031); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +CH3O(27)+C2H3O3(1032)<=>CH3OH(25)+C2H2O3(1031) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3068; RMG #9644 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1032), C2H2O3(1031); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_N-7R!H->C +CH2OH(26)+C2H3O3(1032)<=>CH3OH(25)+C2H2O3(1031) 2.410000e+11 0.000 0.512 + +! Reaction index: Chemkin #3069; RMG #9647 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3O(27)+C2H3O2(1042)<=>CH3OH(25)+C2H2O2(1030) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3070; RMG #9648 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +CH3O(27)+C2H3O2(1046)<=>CH3OH(25)+C2H2O2(1030) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3071; RMG #9650 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+C2H3O2(1042)<=>CH3OH(25)+C2H2O2(1030) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3072; RMG #9651 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2OH(26)+C2H3O2(1046)<=>CH3OH(25)+C2H2O2(1030) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3073; RMG #9660 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), CH2CO(30); C2H3O(1084), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +OCHCO(63)+C2H3O(1084)<=>CH2CO(30)+OCHCHO(52) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #3074; RMG #9661 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +OCHCO(63)+CH3CO(47)<=>CH2CO(30)+OCHCHO(52) 6.594120e+08 1.422 0.188 + +! Reaction index: Chemkin #3075; RMG #9662 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHCO(63)+CH2CHO(45)<=>CH2CO(30)+OCHCHO(52) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3076; RMG #9663 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), OCHCHO(52); HCCO(53), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +HCCO(53)+C2H3O2(1046)<=>CH2CO(30)+OCHCHO(52) 3.010000e+13 0.000 0.119 + +! Reaction index: Chemkin #3077; RMG #9664 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), OCHCHO(52); HCCO(53), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +HCCO(53)+OCH2CHO(510)<=>CH2CO(30)+OCHCHO(52) 1.262218e+13 -0.199 0.000 + +! Reaction index: Chemkin #3078; RMG #9667 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O(1084)+CH3CO2(73)<=>CH2CO(30)+C2H4O2(1024) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3079; RMG #9668 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +C2H3O(1084)+C2H3O2(1088)<=>CH2CO(30)+C2H4O2(1024) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3080; RMG #9669 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 6.0 +CH3CO(47)+CH3CO2(73)<=>CH2CO(30)+C2H4O2(1024) 1.318824e+09 1.422 0.000 + +! Reaction index: Chemkin #3081; RMG #9670 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH3CO(47)+C2H3O2(1088)<=>CH2CO(30)+C2H4O2(1024) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #3082; RMG #9671 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH2CHO(45)+CH3CO2(73)<=>CH2CO(30)+C2H4O2(1024) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3083; RMG #9672 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2CHO(45)+C2H3O2(1088)<=>CH2CO(30)+C2H4O2(1024) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3084; RMG #9674 +! Template reaction: Disproportionation +! Flux pairs: CH3CH2O(41), CH3CHO(40); HCCO(53), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +HCCO(53)+CH3CH2O(41)<=>CH2CO(30)+CH3CHO(40) 1.262218e+13 -0.199 0.000 + +! Reaction index: Chemkin #3085; RMG #9675 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +C2H3O(1084)+CH2CHO(45)<=>CH2CO(30)+CH3CHO(40) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3086; RMG #9676 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +C2H3O(1084)+CH3CO(47)<=>CH2CO(30)+CH3CHO(40) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #3087; RMG #9677 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH2CHO(45)+CH3CO(47)<=>CH2CO(30)+CH3CHO(40) 6.594120e+08 1.422 0.000 +DUPLICATE + +! Reaction index: Chemkin #3088; RMG #9678 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH3CO(47)+CH3CO(47)<=>CH2CO(30)+CH3CHO(40) 6.594120e+08 1.422 0.128 + +! Reaction index: Chemkin #3089; RMG #9679 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH3CHO(40); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH2CHO(45)+CH2CHO(45)<=>CH2CO(30)+CH3CHO(40) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3090; RMG #9680 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH3CHO(40); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2CHO(45)+CH3CO(47)<=>CH2CO(30)+CH3CHO(40) 1.356420e+10 0.470 0.000 +DUPLICATE + +! Reaction index: Chemkin #3091; RMG #9683 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +C2H3O(1084)+OCH2CHO(510)<=>CH2CO(30)+C2H4O2(1056) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3092; RMG #9684 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +C2H3O(1084)+C2H3O2(1046)<=>CH2CO(30)+C2H4O2(1056) 2.855610e+13 -0.375 0.000 + +! Reaction index: Chemkin #3093; RMG #9685 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +C2H3O(1084)+C2H3O2(1042)<=>CH2CO(30)+C2H4O2(1056) 1.810000e+14 0.000 0.000 + +! Reaction index: Chemkin #3094; RMG #9686 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH3CO(47)+OCH2CHO(510)<=>CH2CO(30)+C2H4O2(1056) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #3095; RMG #9687 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH3CO(47)+C2H3O2(1046)<=>CH2CO(30)+C2H4O2(1056) 6.594120e+08 1.422 0.369 + +! Reaction index: Chemkin #3096; RMG #9688 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); CH3CO(47), CH2CO(30); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH3CO(47)+C2H3O2(1042)<=>CH2CO(30)+C2H4O2(1056) 6.594120e+08 1.422 0.146 + +! Reaction index: Chemkin #3097; RMG #9689 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R +CH2CHO(45)+OCH2CHO(510)<=>CH2CO(30)+C2H4O2(1056) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3098; RMG #9690 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2CHO(45)+C2H3O2(1046)<=>CH2CO(30)+C2H4O2(1056) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3099; RMG #9691 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); CH2CHO(45), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2CHO(45)+C2H3O2(1042)<=>CH2CO(30)+C2H4O2(1056) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3100; RMG #9693 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2H3O2(1042)<=>OCO(1022)+C2H2O2(1030) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3101; RMG #9694 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +HOCH2O(38)+C2H3O2(1046)<=>OCO(1022)+C2H2O2(1030) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3102; RMG #9696 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H2O2(1030); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2H3O2(1042)<=>OCO(1022)+C2H2O2(1030) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3103; RMG #9697 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H2O2(1030); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +O[CH]O(970)+C2H3O2(1046)<=>OCO(1022)+C2H2O2(1030) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3104; RMG #9713 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CH2CHO(45), CH2CHOH(48); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2CHO(45)+C2H3O3(1066)<=>C2H2O3(977)+CH2CHOH(48) 1.810000e+13 0.000 0.984 + +! Reaction index: Chemkin #3105; RMG #9714 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); C2H3O(1084), CH2CHOH(48); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +C2H3O(1084)+C2H3O3(1066)<=>C2H2O3(977)+CH2CHOH(48) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #3106; RMG #9715 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); CHCHOH(55), CH2CHOH(48); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +CHCHOH(55)+C2H3O3(1066)<=>C2H2O3(977)+CH2CHOH(48) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #3107; RMG #9716 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CH2CHO(45), CH2CHOH(48); +! Estimated from node Root_Ext-1R!H-R +CH2CHO(45)+C2H3O3(1012)<=>C2H2O3(977)+CH2CHOH(48) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3108; RMG #9717 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); C2H3O(1084), CH2CHOH(48); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +C2H3O(1084)+C2H3O3(1012)<=>C2H2O3(977)+CH2CHOH(48) 2.360580e+13 -0.372 0.000 + +! Reaction index: Chemkin #3109; RMG #9718 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); CHCHOH(55), CH2CHOH(48); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +CHCHOH(55)+C2H3O3(1012)<=>C2H2O3(977)+CH2CHOH(48) 6.311090e+12 -0.199 0.000 + +! Reaction index: Chemkin #3110; RMG #9719 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CH2CHO(45), CH2CHOH(48); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH2CHO(45)+C2H3O3(1029)<=>C2H2O3(977)+CH2CHOH(48) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3111; RMG #9720 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); C2H3O(1084), CH2CHOH(48); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O(1084)+C2H3O3(1029)<=>C2H2O3(977)+CH2CHOH(48) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #3112; RMG #9721 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); CHCHOH(55), CH2CHOH(48); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +CHCHOH(55)+C2H3O3(1029)<=>C2H2O3(977)+CH2CHOH(48) 1.262218e+13 -0.199 0.000 + +! Reaction index: Chemkin #3113; RMG #9726 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H4(24); C2H5(31), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C +! Multiplied by reaction path degeneracy 6.0 +C2HO3(993)+C2H5(31)<=>C2H2O3(977)+C2H4(24) 1.446000e+14 0.000 0.000 + +! Reaction index: Chemkin #3114; RMG #9727 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); C2H5(31), C2H4(24); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C +! Multiplied by reaction path degeneracy 3.0 +C2HO3(991)+C2H5(31)<=>C2H2O3(977)+C2H4(24) 8.670000e+12 0.000 0.000 + +! Reaction index: Chemkin #3115; RMG #9729 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1066), C2H2O3(977); C2H3(32), C2H4(24); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +C2H3(32)+C2H3O3(1066)<=>C2H2O3(977)+C2H4(24) 3.010000e+13 0.000 0.000 + +! Reaction index: Chemkin #3116; RMG #9730 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1012), C2H2O3(977); C2H3(32), C2H4(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +C2H3(32)+C2H3O3(1012)<=>C2H2O3(977)+C2H4(24) 6.311090e+12 -0.199 0.000 + +! Reaction index: Chemkin #3117; RMG #9731 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1029), C2H2O3(977); C2H3(32), C2H4(24); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C2H3(32)+C2H3O3(1029)<=>C2H2O3(977)+C2H4(24) 1.262218e+13 -0.199 0.000 + +! Reaction index: Chemkin #3118; RMG #9737 +! Template reaction: Disproportionation +! Flux pairs: CH3CO2(73), C2H4O2(1024); CH3CH2O(41), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CH3CO2(73)+CH3CH2O(41)<=>CH3CHO(40)+C2H4O2(1024) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #3119; RMG #9739 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1088), C2H4O2(1024); CH3CH2O(41), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1088)+CH3CH2O(41)<=>CH3CHO(40)+C2H4O2(1024) 1.262218e+13 -0.199 0.000 + +! Reaction index: Chemkin #3120; RMG #9769 +! Template reaction: Disproportionation +! Flux pairs: OCH2CHO(510), C2H4O2(1056); CH3CH2O(41), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCH2CHO(510)+CH3CH2O(41)<=>CH3CHO(40)+C2H4O2(1056) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3121; RMG #9770 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1046), C2H4O2(1056); CH3CH2O(41), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1046)+CH3CH2O(41)<=>CH3CHO(40)+C2H4O2(1056) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #3122; RMG #9771 +! Template reaction: Disproportionation +! Flux pairs: C2H3O2(1042), C2H4O2(1056); CH3CH2O(41), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1042)+CH3CH2O(41)<=>CH3CHO(40)+C2H4O2(1056) 4.721160e+13 -0.372 0.000 + +! Reaction index: Chemkin #3123; RMG #9778 +! Template reaction: Disproportionation +! Flux pairs: CH2OCHO(97), CH3OCHO(95); CH3CH2O(41), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CH2OCHO(97)+CH3CH2O(41)<=>CH3CHO(40)+CH3OCHO(95) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #3124; RMG #9779 +! Template reaction: Disproportionation +! Flux pairs: CH3OCO(98), CH3OCHO(95); CH3CH2O(41), CH3CHO(40); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +! Multiplied by reaction path degeneracy 2.0 +CH3OCO(98)+CH3CH2O(41)<=>CH3CHO(40)+CH3OCHO(95) 9.640000e+11 0.000 0.000 + +! Reaction index: Chemkin #3125; RMG #9789 +! Template reaction: H_Abstraction +! Flux pairs: HO2(4), O2(2); C(33), CH(23); +! Estimated using template [Orad_O_H;Y_rad_birad_trirad_quadrad] for rate rule [Orad_O_H;C_triplet] +! Euclidian distance = 2.0 +! family: H_Abstraction +HO2(4)+C(33)<=>O2(2)+CH(23) 4.949747e+10 0.000 -1.637 + +! Reaction index: Chemkin #3126; RMG #609 +! Library reaction: CurranPentane +! Flux pairs: HO2(4), OCH2O2H(69); CH2O(12), OCH2O2H(69); +HO2(4)+CH2O(12)<=>OCH2O2H(69) 1.500000e+11 0.000 11.900 + +! Reaction index: Chemkin #3127; RMG #4685 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OH(3)+OCH2O2H(69)<=>H2O(17)+HO2CHO(68) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3128; RMG #4710 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+OCH2O2H(69)<=>FA(1)+HO2CHO(68) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #3129; RMG #4712 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+OCH2O2H(69)<=>FA(1)+HO2CHO(68) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3130; RMG #4720 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HO2(4)+OCH2O2H(69)<=>H2O2(18)+HO2CHO(68) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3131; RMG #4752 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +H(5)+OCH2O2H(69)<=>H2(6)+HO2CHO(68) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3132; RMG #4754 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), CH2O4(1005); OCH2O2H(69), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO4(989)+OCH2O2H(69)<=>HO2CHO(68)+CH2O4(1005) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #3133; RMG #4756 +! Template reaction: Disproportionation +! Flux pairs: CHO4(985), CH2O4(1005); OCH2O2H(69), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(985)+OCH2O2H(69)<=>HO2CHO(68)+CH2O4(1005) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3134; RMG #4988 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); O2(2), HO2(4); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +O2(2)+OCH2O2H(69)<=>HO2(4)+HO2CHO(68) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #3135; RMG #4991 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), CH2O3(1000); CHO3(986), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+OCH2O2H(69)<=>HO2CHO(68)+CH2O3(1000) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #3136; RMG #5007 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+OCH2O2H(69)<=>CH2O(12)+HO2CHO(68) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3137; RMG #5026 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); CH3(7), CH4(20); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH3(7)+OCH2O2H(69)<=>HO2CHO(68)+CH4(20) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3138; RMG #5028 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); O2CHO(67), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2CHO(67)+OCH2O2H(69)<=>HO2CHO(68)+HO2CHO(68) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3139; RMG #5030 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); CHO3(1009), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CHO3(1009)+OCH2O2H(69)<=>HO2CHO(68)+HO2CHO(68) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3140; RMG #5033 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH3O(27)+OCH2O2H(69)<=>HO2CHO(68)+CH3OH(25) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3141; RMG #5034 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+OCH2O2H(69)<=>HO2CHO(68)+CH3OH(25) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3142; RMG #5538 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); O(16), OH(3); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +O(16)+OCH2O2H(69)<=>OH(3)+HO2CHO(68) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3143; RMG #5978 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), OCHCHO(52); OCH2O2H(69), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +OCH2O2H(69)+OCHCO(63)<=>HO2CHO(68)+OCHCHO(52) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3144; RMG #5989 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); OCH2O2H(69), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCH2O2H(69)+C2HO3(993)<=>HO2CHO(68)+C2H2O3(977) 3.778032e+10 0.509 0.000 + +! Reaction index: Chemkin #3145; RMG #5990 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(991), C2H2O3(977); OCH2O2H(69), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +OCH2O2H(69)+C2HO3(991)<=>HO2CHO(68)+C2H2O3(977) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3146; RMG #6243 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+OCH2O2H(69)<=>HO2CHO(68)+OCO(1022) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3147; RMG #6244 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HO2CHO(68); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+OCH2O2H(69)<=>HO2CHO(68)+OCO(1022) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3148; RMG #6265 +! Template reaction: intra_H_migration +! Flux pairs: OCH2O2H(69), O[CH]OO(1038); +! Estimated using template [R2H_S;O_rad_out;Cs_H_out] for rate rule [R2H_S;O_rad_out;Cs_H_out_OOH/H] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: intra_H_migration +OCH2O2H(69)<=>O[CH]OO(1038) 4.300000e+14 -0.270 27.240 + +! Reaction index: Chemkin #3149; RMG #6782 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)OO(975), OOC(O)O(1086); OCH2O2H(69), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCH2O2H(69)+[O]C(O)OO(975)<=>HO2CHO(68)+OOC(O)O(1086) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3150; RMG #6783 +! Template reaction: Disproportionation +! Flux pairs: [O]OC(O)O(973), OOC(O)O(1086); OCH2O2H(69), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCH2O2H(69)+[O]OC(O)O(973)<=>HO2CHO(68)+OOC(O)O(1086) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3151; RMG #6784 +! Template reaction: Disproportionation +! Flux pairs: OO[C](O)O(1010), OOC(O)O(1086); OCH2O2H(69), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +OCH2O2H(69)+OO[C](O)O(1010)<=>HO2CHO(68)+OOC(O)O(1086) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3152; RMG #7449 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); OCH2O2H(69), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCH2O2H(69)+[O]C(O)O(972)<=>HO2CHO(68)+OC(O)O(1039) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3153; RMG #7450 +! Template reaction: Disproportionation +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); OCH2O2H(69), HO2CHO(68); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +OCH2O2H(69)+O[C](O)O(1021)<=>HO2CHO(68)+OC(O)O(1039) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3154; RMG #8569 +! PDep reaction: PDepNetwork #343 +! Flux pairs: HOCH2O2H(71), H(5); HOCH2O2H(71), OCH2O2H(69); +HOCH2O2H(71)(+M)<=>H(5)+OCH2O2H(69)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.910e+01 6.992e-01 -1.558e-01 1.469e-02 / + CHEB/ 3.319e+01 5.578e-01 2.256e-02 -3.775e-02 / + CHEB/ -3.779e-01 1.851e-01 6.060e-02 -8.695e-03 / + CHEB/ -1.932e-01 4.588e-02 3.190e-02 7.160e-03 / + CHEB/ -8.038e-02 -1.125e-02 1.235e-02 7.631e-03 / + CHEB/ -3.433e-02 -9.168e-03 -2.053e-03 3.705e-03 / + +! Reaction index: Chemkin #3155; RMG #9503 +! Template reaction: CO_Disproportionation +! Flux pairs: OCH2O2H(69), HOCH2O2H(71); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_N-4CO->C +HCO(13)+OCH2O2H(69)<=>CO(8)+HOCH2O2H(71) 9.030000e+13 0.000 0.000 + +! Reaction index: Chemkin #3156; RMG #9508 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HOCH2O2H(71); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+OCH2O2H(69)<=>CO2(9)+HOCH2O2H(71) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3157; RMG #9511 +! Template reaction: Disproportionation +! Flux pairs: OCH2O2H(69), HOCH2O2H(71); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+OCH2O2H(69)<=>CO2(9)+HOCH2O2H(71) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3158; RMG #9599 +! Template reaction: Birad_R_Recombination +! Flux pairs: CH2OOH(37), OCH2O2H(69); O(16), OCH2O2H(69); +! Estimated using template [Y_rad;O_birad] for rate rule [C_rad/H2/O;O_birad] +! Euclidian distance = 3.0 +! family: Birad_R_Recombination +! Ea raised from -8.3 to 0 kJ/mol. +O(16)+CH2OOH(37)<=>OCH2O2H(69) 1.667731e+09 1.126 0.000 + +! Reaction index: Chemkin #3159; RMG #9793 +! PDep reaction: PDepNetwork #391 +! Flux pairs: OCH2O2H(69), H(5); OCH2O2H(69), HO2CHO(68); +OCH2O2H(69)(+M)<=>H(5)+HO2CHO(68)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.339e+00 8.415e-01 -1.067e-01 -3.754e-03 / + CHEB/ 2.069e+00 5.880e-01 3.546e-02 -1.588e-02 / + CHEB/ -2.193e-01 5.987e-02 3.855e-02 5.232e-03 / + CHEB/ -1.114e-01 4.653e-03 9.943e-03 3.823e-03 / + CHEB/ -7.006e-02 4.535e-03 5.053e-03 1.552e-03 / + CHEB/ -3.224e-02 -8.117e-04 1.580e-03 9.550e-04 / + +! Reaction index: Chemkin #3160; RMG #9813 +! PDep reaction: PDepNetwork #392 +! Flux pairs: C2H3O3(1033), CO2(9); C2H3O3(1033), CH3O(27); +C2H3O3(1033)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.291e-01 -6.815e-02 -1.407e-01 -3.514e-02 / + CHEB/ 8.570e+00 3.502e-01 -1.534e-02 9.816e-03 / + CHEB/ 3.754e-01 2.012e-01 -3.676e-02 2.377e-03 / + CHEB/ 5.753e-02 1.372e-01 -1.580e-02 -4.550e-04 / + CHEB/ -1.655e-02 5.678e-02 -8.383e-03 -1.989e-03 / + CHEB/ -2.033e-02 1.346e-02 -2.268e-03 -1.953e-03 / + +! Reaction index: Chemkin #3161; RMG #7125 +! PDep reaction: PDepNetwork #281 +! Flux pairs: C2H3O3(1053), C2H3O3(1033); +C2H3O3(1053)(+M)<=>C2H3O3(1033)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.170e+00 1.470e+00 -1.450e-01 -3.582e-02 / + CHEB/ 5.576e+00 3.828e-01 -2.169e-02 8.632e-03 / + CHEB/ 4.526e-01 2.243e-01 -3.908e-02 1.544e-03 / + CHEB/ 2.125e-02 1.477e-01 -1.487e-02 -9.243e-04 / + CHEB/ -1.202e-02 5.728e-02 -6.039e-03 -2.098e-03 / + CHEB/ 2.930e-03 9.455e-03 -1.075e-04 -1.800e-03 / + +! Reaction index: Chemkin #3162; RMG #9407 +! PDep reaction: PDepNetwork #84 +! Flux pairs: HOCO(10), C2H3O3(1033); CH2O(12), C2H3O3(1033); +HOCO(10)+CH2O(12)(+M)<=>C2H3O3(1033)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.443e+00 1.537e-01 -4.836e-02 4.655e-03 / + CHEB/ 6.999e+00 2.599e-01 -7.697e-02 4.640e-03 / + CHEB/ -1.275e-01 1.604e-01 -3.881e-02 -2.421e-03 / + CHEB/ -6.319e-02 7.244e-02 -9.825e-03 -5.076e-03 / + CHEB/ -2.565e-02 2.492e-02 1.219e-03 -3.470e-03 / + CHEB/ -1.127e-02 9.657e-03 1.400e-03 -1.154e-03 / + +! Reaction index: Chemkin #3163; RMG #9795 +! PDep reaction: PDepNetwork #120 +! Flux pairs: CO2(9), CHO3(986); CH3O(27), CH2(21); +CO2(9)+CH3O(27)(+M)<=>CHO3(986)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.541e+01 -7.677e-01 -3.153e-01 -5.783e-02 / + CHEB/ 3.131e+01 4.602e-01 1.346e-01 -8.829e-03 / + CHEB/ 1.060e-01 1.362e-02 3.147e-02 1.817e-02 / + CHEB/ -2.308e-02 -1.868e-02 -2.152e-03 5.481e-03 / + CHEB/ -3.218e-02 -1.568e-02 -6.960e-03 -4.358e-04 / + CHEB/ -1.909e-02 -3.980e-03 -2.049e-03 -7.751e-04 / + +! Reaction index: Chemkin #3164; RMG #9799 +! PDep reaction: PDepNetwork #281 +! Flux pairs: C2H3O3(1053), CHO3(986); C2H3O3(1053), CH2(21); +C2H3O3(1053)(+M)<=>CHO3(986)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.169e+01 7.578e-01 -3.134e-01 -5.759e-02 / + CHEB/ 2.845e+01 4.659e-01 1.372e-01 -8.283e-03 / + CHEB/ -1.919e-01 1.616e-02 3.260e-02 1.842e-02 / + CHEB/ -1.699e-01 -1.762e-02 -1.801e-03 5.488e-03 / + CHEB/ -5.418e-02 -1.521e-02 -6.858e-03 -4.951e-04 / + CHEB/ -2.613e-03 -3.787e-03 -1.998e-03 -8.001e-04 / + +! Reaction index: Chemkin #3165; RMG #9806 +! PDep reaction: PDepNetwork #392 +! Flux pairs: C2H3O3(1033), CHO3(986); C2H3O3(1033), CH2(21); +C2H3O3(1033)(+M)<=>CHO3(986)+CH2(21)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.463e+01 1.017e+00 -1.892e-01 -2.443e-02 / + CHEB/ 3.089e+01 2.667e-01 5.251e-02 -2.255e-02 / + CHEB/ -1.222e-01 -3.863e-02 1.971e-03 7.391e-03 / + CHEB/ 5.002e-04 -4.041e-02 -1.346e-02 1.480e-03 / + CHEB/ -1.729e-03 -5.713e-03 -4.126e-03 -1.307e-03 / + CHEB/ -2.181e-02 9.713e-03 3.604e-03 -9.460e-05 / + +! Reaction index: Chemkin #3166; RMG #9811 +! PDep reaction: PDepNetwork #392 +! Flux pairs: C2H3O3(1033), CHO3(986); C2H3O3(1033), CH2(S)(22); +C2H3O3(1033)(+M)<=>CHO3(986)+CH2(S)(22)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.999e+01 8.618e-01 -2.868e-01 -6.206e-02 / + CHEB/ 3.366e+01 3.938e-01 1.305e-01 1.713e-03 / + CHEB/ -9.539e-02 5.426e-03 2.275e-02 1.584e-02 / + CHEB/ 2.115e-02 -1.762e-02 -4.048e-03 3.300e-03 / + CHEB/ -8.984e-03 -1.405e-02 -6.554e-03 -9.977e-04 / + CHEB/ -3.401e-02 -3.447e-03 -1.603e-03 -5.463e-04 / + +! Reaction index: Chemkin #3167; RMG #9812 +! PDep reaction: PDepNetwork #392 +! Flux pairs: C2H3O3(1033), O(16); C2H3O3(1033), CH3OCO(98); +C2H3O3(1033)(+M)<=>O(16)+CH3OCO(98)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.321e+01 9.791e-01 -2.471e-01 -6.082e-02 / + CHEB/ 3.625e+01 3.504e-01 1.292e-01 1.104e-02 / + CHEB/ -6.657e-02 3.588e-03 1.774e-02 1.366e-02 / + CHEB/ 4.005e-02 -1.401e-02 -4.412e-03 1.550e-03 / + CHEB/ 1.018e-03 -1.056e-02 -5.519e-03 -1.480e-03 / + CHEB/ -3.179e-02 -1.643e-03 -8.369e-04 -4.096e-04 / + +! Reaction index: Chemkin #3168; RMG #133 +! Library reaction: NOx2018 +! Flux pairs: CH2(21), C2H(35); C(33), H(5); +C(33)+CH2(21)<=>H(5)+C2H(35) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #3169; RMG #293 +! Library reaction: NOx2018 +! Flux pairs: C2H3(32), C2H2(34); C2H(35), C2H2(34); +C2H(35)+C2H3(32)<=>C2H2(34)+C2H2(34) 3.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #3170; RMG #294 +! Library reaction: NOx2018 +! Flux pairs: C2H2(34), H(5); C2H2(34), C2H(35); +C2H2(34)+M<=>H(5)+C2H(35)+M 9.100e+30 -3.700 127.138 +CO(8)/2.00/ H2(6)/2.00/ CO2(9)/3.00/ H2O(17)/5.00/ + +! Reaction index: Chemkin #3171; RMG #296 +! Library reaction: NOx2018 +! Flux pairs: C2H(35), C2H2(34); H2(6), H(5); +H2(6)+C2H(35)<=>H(5)+C2H2(34) 4.100000e+05 2.390 0.864 + +! Reaction index: Chemkin #3172; RMG #303 +! Library reaction: NOx2018 +! Flux pairs: C2H2(34), C2H(35); OH(3), H2O(17); +OH(3)+C2H2(34)<=>H2O(17)+C2H(35) 2.600000e+06 2.140 17.060 + +! Reaction index: Chemkin #3173; RMG #320 +! Library reaction: NOx2018 +! Flux pairs: C2H(35), CO(8); O(16), CH(23); +O(16)+C2H(35)<=>CO(8)+CH(23) 5.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #3174; RMG #321 +! Library reaction: NOx2018 +! Flux pairs: C2H(35), HCCO(53); OH(3), H(5); +OH(3)+C2H(35)<=>H(5)+HCCO(53) 2.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #3175; RMG #323 +! Library reaction: NOx2018 +! Flux pairs: C2H(35), CO(8); O2(2), H(5); O2(2), CO(8); +O2(2)+C2H(35)<=>H(5)+CO(8)+CO(8) 4.700000e+13 -0.160 0.000 + +! Reaction index: Chemkin #3176; RMG #324 +! Library reaction: NOx2018 +! Flux pairs: C2H(35), C2H2(34); CH4(20), CH3(7); +CH4(20)+C2H(35)<=>CH3(7)+C2H2(34) 7.200000e+12 0.000 0.976 + +! Reaction index: Chemkin #3177; RMG #665 +! Library reaction: CurranPentane +! Flux pairs: C2H(35), HCO(13); O2(2), CO(8); +O2(2)+C2H(35)<=>CO(8)+HCO(13) 5.000000e+13 0.000 1.500 + +! Reaction index: Chemkin #3178; RMG #3403 +! Library reaction: FFCM1(-) +! Flux pairs: C2H(35), C2H2(34); CH2O(12), HCO(13); +CH2O(12)+C2H(35)<=>HCO(13)+C2H2(34) 5.400000e+03 2.810 5.862 + +! Reaction index: Chemkin #3179; RMG #3411 +! Library reaction: FFCM1(-) +! Flux pairs: C2H(35), C2H2(34); CH3OH(25), CH2OH(26); +CH3OH(25)+C2H(35)<=>CH2OH(26)+C2H2(34) 6.000000e+12 0.000 0.000 + +! Reaction index: Chemkin #3180; RMG #3412 +! Library reaction: FFCM1(-) +! Flux pairs: C2H(35), C2H2(34); CH3OH(25), CH3O(27); +CH3OH(25)+C2H(35)<=>CH3O(27)+C2H2(34) 1.200000e+12 0.000 0.000 + +! Reaction index: Chemkin #3181; RMG #5884 +! PDep reaction: PDepNetwork #199 +! Flux pairs: HCCO(53), O(16); HCCO(53), C2H(35); +HCCO(53)(+M)<=>O(16)+C2H(35)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.008e+01 1.494e+00 -1.581e-02 -7.176e-03 / + CHEB/ 4.857e+01 2.241e-02 1.337e-02 5.939e-03 / + CHEB/ -1.407e-01 1.487e-03 9.865e-04 5.309e-04 / + CHEB/ -6.836e-02 -7.759e-05 -3.452e-05 -3.775e-06 / + CHEB/ -3.280e-02 -1.257e-04 -7.596e-05 -3.455e-05 / + CHEB/ -1.556e-02 -6.690e-05 -4.132e-05 -1.968e-05 / + +! Reaction index: Chemkin #3182; RMG #8609 +! PDep reaction: PDepNetwork #164 +! Flux pairs: CH2CO(30), OH(3); CH2CO(30), C2H(35); +CH2CO(30)(+M)<=>OH(3)+C2H(35)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.287e+01 1.495e+00 -1.574e-02 -7.373e-03 / + CHEB/ 5.073e+01 1.283e-02 7.824e-03 3.637e-03 / + CHEB/ 2.328e-01 -2.858e-03 -1.724e-03 -7.830e-04 / + CHEB/ 1.243e-02 -1.603e-03 -9.778e-04 -4.549e-04 / + CHEB/ -4.289e-02 -8.713e-05 -5.566e-05 -2.825e-05 / + CHEB/ -2.073e-02 -5.251e-05 -3.257e-05 -1.566e-05 / + +! Reaction index: Chemkin #3183; RMG #8611 +! PDep reaction: PDepNetwork #173 +! Flux pairs: CHCHO(51), OH(3); CHCHO(51), C2H(35); +CHCHO(51)(+M)<=>OH(3)+C2H(35)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.324e+01 1.492e+00 -1.763e-02 -8.271e-03 / + CHEB/ 3.489e+01 1.371e-02 8.366e-03 3.894e-03 / + CHEB/ 4.979e-01 -3.268e-03 -1.975e-03 -9.015e-04 / + CHEB/ 9.037e-02 -1.504e-03 -9.172e-04 -4.263e-04 / + CHEB/ -5.446e-02 9.953e-05 5.905e-05 2.591e-05 / + CHEB/ -4.886e-02 1.310e-04 8.015e-05 3.752e-05 / + +! Reaction index: Chemkin #3184; RMG #8613 +! PDep reaction: PDepNetwork #178 +! Flux pairs: C2H2O(1085), OH(3); C2H2O(1085), C2H(35); +C2H2O(1085)(+M)<=>OH(3)+C2H(35)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.281e+01 1.492e+00 -1.741e-02 -8.170e-03 / + CHEB/ 2.628e+01 1.408e-02 8.595e-03 4.001e-03 / + CHEB/ 3.130e-01 -3.136e-03 -1.895e-03 -8.646e-04 / + CHEB/ 6.472e-02 -1.474e-03 -8.992e-04 -4.183e-04 / + CHEB/ -2.103e-02 9.364e-05 5.532e-05 2.404e-05 / + CHEB/ -1.764e-02 1.224e-04 7.500e-05 3.516e-05 / + +! Reaction index: Chemkin #3185; RMG #8615 +! PDep reaction: PDepNetwork #252 +! Flux pairs: C2H2O(1080), OH(3); C2H2O(1080), C2H(35); +C2H2O(1080)(+M)<=>OH(3)+C2H(35)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.154e+01 1.499e+00 -1.301e-02 -6.094e-03 / + CHEB/ 2.574e+01 1.238e-02 7.544e-03 3.500e-03 / + CHEB/ 6.470e-01 -2.726e-03 -1.647e-03 -7.509e-04 / + CHEB/ 2.291e-01 -1.512e-03 -9.232e-04 -4.304e-04 / + CHEB/ 5.075e-02 -1.358e-04 -8.531e-05 -4.197e-05 / + CHEB/ 4.803e-03 -7.040e-05 -4.291e-05 -1.994e-05 / + +! Reaction index: Chemkin #3186; RMG #8617 +! PDep reaction: PDepNetwork #345 +! Flux pairs: C2H2O(1117), OH(3); C2H2O(1117), C2H(35); +C2H2O(1117)(+M)<=>OH(3)+C2H(35)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.261e+01 1.501e+00 -1.177e-02 -5.496e-03 / + CHEB/ 2.809e+01 6.888e-03 4.195e-03 1.945e-03 / + CHEB/ 9.352e-03 -2.834e-03 -1.707e-03 -7.743e-04 / + CHEB/ -6.453e-03 -1.443e-03 -8.730e-04 -3.995e-04 / + CHEB/ -4.553e-02 8.780e-06 6.757e-06 4.440e-06 / + CHEB/ -3.132e-02 1.356e-04 8.377e-05 3.993e-05 / + +! Reaction index: Chemkin #3187; RMG #8628 +! PDep reaction: PDepNetwork #349 +! Flux pairs: HCCOH(54), OH(3); HCCOH(54), C2H(35); +HCCOH(54)(+M)<=>OH(3)+C2H(35)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.564e+01 1.507e+00 -8.356e-03 -3.882e-03 / + CHEB/ 3.844e+01 6.269e-03 3.816e-03 1.767e-03 / + CHEB/ -3.000e-01 -8.845e-04 -5.124e-04 -2.130e-04 / + CHEB/ -1.105e-01 -7.589e-04 -4.533e-04 -2.018e-04 / + CHEB/ -4.531e-02 5.899e-05 3.704e-05 1.820e-05 / + CHEB/ -1.353e-03 -2.750e-05 -1.662e-05 -7.612e-06 / + +! Reaction index: Chemkin #3188; RMG #8645 +! PDep reaction: PDepNetwork #241 +! Flux pairs: HCCO(53), C2H(35); OH(3), HO2(4); +OH(3)+HCCO(53)(+M)<=>HO2(4)+C2H(35)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.272e+01 -2.925e-04 -1.806e-04 -8.605e-05 / + CHEB/ 2.797e+01 -1.911e-04 -1.180e-04 -5.620e-05 / + CHEB/ 1.290e-02 -5.145e-05 -3.176e-05 -1.512e-05 / + CHEB/ 2.277e-02 1.653e-05 1.021e-05 4.871e-06 / + CHEB/ 7.800e-03 3.668e-06 2.266e-06 1.081e-06 / + CHEB/ 1.529e-03 -1.475e-05 -9.106e-06 -4.337e-06 / + +! Reaction index: Chemkin #3189; RMG #8689 +! Template reaction: Disproportionation +! Flux pairs: C2H(35), C2H2(34); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2H(35)<=>FA(1)+C2H2(34) 2.406660e+13 0.000 0.000 + +! Reaction index: Chemkin #3190; RMG #8690 +! Template reaction: Disproportionation +! Flux pairs: C2H(35), C2H2(34); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2H(35)<=>FA(1)+C2H2(34) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3191; RMG #8692 +! Template reaction: CO_Disproportionation +! Flux pairs: C2H(35), C2H2(34); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C +HCO(13)+C2H(35)<=>CO(8)+C2H2(34) 6.250870e+13 -0.000 0.000 + +! Reaction index: Chemkin #3192; RMG #8693 +! Template reaction: Disproportionation +! Flux pairs: C2H(35), C2H2(34); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C +HOCO(10)+C2H(35)<=>CO2(9)+C2H2(34) 1.203330e+13 0.000 0.000 + +! Reaction index: Chemkin #3193; RMG #8694 +! Template reaction: Disproportionation +! Flux pairs: C2H(35), C2H2(34); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2H(35)<=>CO2(9)+C2H2(34) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3194; RMG #8696 +! Template reaction: Disproportionation +! Flux pairs: C2H(35), C2H2(34); CH2OH(26), CH2O(12); +! Matched reaction 0 C2H + CH3O <=> C2H2 + CH2O in Disproportionation/training +! This reaction matched rate rule [Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C] +! family: Disproportionation +CH2OH(26)+C2H(35)<=>CH2O(12)+C2H2(34) 3.610000e+13 0.000 0.000 + +! Reaction index: Chemkin #3195; RMG #8697 +! Template reaction: Disproportionation +! Flux pairs: C2H(35), C2H2(34); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_Sp-5R!H#4CCCNNNSSS +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2H(35)<=>CH2O(12)+C2H2(34) 1.083000e+13 0.000 0.000 + +! Reaction index: Chemkin #3196; RMG #8699 +! Template reaction: Disproportionation +! Flux pairs: C2H(35), C2H2(34); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2H(35)<=>CH2O3(1000)+C2H2(34) 3.609990e+13 0.000 0.000 + +! Reaction index: Chemkin #3197; RMG #8700 +! Template reaction: Disproportionation +! Flux pairs: C2H(35), C2H2(34); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+C2H(35)<=>CH2O3(1000)+C2H2(34) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3198; RMG #8766 +! Template reaction: H_Abstraction +! Flux pairs: O2(2), HO2(4); C2H2(34), C2H(35); +! Matched reaction 351 C2H2 + O2 <=> HO2_r12 + C2H in H_Abstraction/training +! This reaction matched rate rule [Ct/H/NonDeC;O2b] +! family: H_Abstraction +! Ea raised from 311.8 to 350.0 kJ/mol to match endothermicity of reaction. +O2(2)+C2H2(34)<=>HO2(4)+C2H(35) 2.420000e+13 0.000 83.644 + +! Reaction index: Chemkin #3199; RMG #8779 +! Template reaction: H_Abstraction +! Flux pairs: OH(3), O(16); C2H(35), C2H2(34); +! Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Ct_rad/Ct] + [OH_rad_H;Y_rad] for rate rule [OH_rad_H;Ct_rad/Ct] +! Euclidian distance = 2.0 +! family: H_Abstraction +OH(3)+C2H(35)<=>O(16)+C2H2(34) 2.032905e+10 0.850 15.153 + +! Reaction index: Chemkin #3200; RMG #9164 +! PDep reaction: PDepNetwork #372 +! Flux pairs: C2O(57), C2H(35); H(5), O(16); +H(5)+C2O(57)(+M)<=>O(16)+C2H(35)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.641e+00 -3.585e-03 -2.208e-03 -1.047e-03 / + CHEB/ 1.704e+01 1.056e-03 6.497e-04 3.075e-04 / + CHEB/ 3.813e-03 4.636e-04 2.855e-04 1.353e-04 / + CHEB/ -8.260e-05 3.500e-04 2.153e-04 1.019e-04 / + CHEB/ -2.231e-03 1.690e-04 1.040e-04 4.923e-05 / + CHEB/ -1.927e-03 5.930e-05 3.652e-05 1.732e-05 / + +! Reaction index: Chemkin #3201; RMG #9180 +! PDep reaction: PDepNetwork #378 +! Flux pairs: C2H2(34), C2H(35); O(16), OH(3); +O(16)+C2H2(34)(+M)<=>OH(3)+C2H(35)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.750e+00 -2.633e-02 -1.614e-02 -7.576e-03 / + CHEB/ 1.151e+01 1.572e-02 9.594e-03 4.469e-03 / + CHEB/ 6.246e-01 -2.848e-03 -1.721e-03 -7.849e-04 / + CHEB/ 1.458e-01 -1.486e-03 -9.087e-04 -4.248e-04 / + CHEB/ -1.923e-02 5.126e-05 2.899e-05 1.135e-05 / + CHEB/ -2.474e-02 1.258e-04 7.736e-05 3.653e-05 / + +! Reaction index: Chemkin #3202; RMG #9816 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(976), C2HO3(990); OCHO(11), FA(1); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OCHO(11)+C2H2O3(976)<=>FA(1)+C2HO3(990) 3.936906e+09 1.062 12.422 + +! Reaction index: Chemkin #3203; RMG #9817 +! Template reaction: H_Abstraction +! Flux pairs: C2HO3(990), C2H2O3(976); FA(1), HOCO(10); +! Estimated using template [CO_H;CO_rad/NonDe] for rate rule [CO/H/NonDe;CO_rad/NonDe] +! Euclidian distance = 2.0 +! family: H_Abstraction +FA(1)+C2HO3(990)<=>HOCO(10)+C2H2O3(976) 9.050000e+10 0.000 12.920 + +! Reaction index: Chemkin #3204; RMG #9818 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)O(1039), O[C](O)O(1021); OCHO(11), FA(1); +! Estimated using template [C/H/NonDe;O_sec_rad] for rate rule [C/H/O3;O_rad/OneDeC] +! Euclidian distance = 2.8284271247461903 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+OC(O)O(1039)<=>FA(1)+O[C](O)O(1021) 4.613025e+11 0.000 12.858 + +! Reaction index: Chemkin #3205; RMG #9819 +! Template reaction: H_Abstraction +! Flux pairs: O[C](O)O(1021), OC(O)O(1039); FA(1), HOCO(10); +! Estimated using template [CO_H;C_rad/NonDe] for rate rule [CO/H/NonDe;C_rad/O3] +! Euclidian distance = 2.8284271247461903 +! family: H_Abstraction +FA(1)+O[C](O)O(1021)<=>HOCO(10)+OC(O)O(1039) 1.630000e+09 0.000 3.560 + +! Reaction index: Chemkin #3206; RMG #9820 +! Template reaction: H_Abstraction +! Flux pairs: OCO(1022), HOCH2O(38); OCHO(11), FA(1); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/NonDeC;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OCHO(11)+OCO(1022)<=>FA(1)+HOCH2O(38) 1.398000e-01 3.750 19.545 + +! Reaction index: Chemkin #3207; RMG #9821 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)O(1039), [O]C(O)O(972); OCHO(11), FA(1); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/NonDeC;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +OCHO(11)+OC(O)O(1039)<=>FA(1)+[O]C(O)O(972) 2.097000e-01 3.750 19.545 + +! Reaction index: Chemkin #3208; RMG #9822 +! Template reaction: H_Abstraction +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); FA(1), HOCO(10); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/NonDeC] +! Euclidian distance = 1.0 +! family: H_Abstraction +FA(1)+[O]C(O)O(972)<=>HOCO(10)+OC(O)O(1039) 9.842265e+08 1.062 12.422 + +! Reaction index: Chemkin #3209; RMG #9823 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1070), C2HO2(1001); OCHO(11), FA(1); +! Estimated using template [C/H2/OneDe;O_sec_rad] for rate rule [C/H2/OneDeO;O_rad/OneDeC] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OCHO(11)+C2H2O2(1070)<=>FA(1)+C2HO2(1001) 1.725296e+02 3.049 8.853 + +! Reaction index: Chemkin #3210; RMG #9824 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1070), C2HO2(1001); HOCO(10), FA(1); +! Estimated using template [C_sec;CO_rad/NonDe] for rate rule [C/H2/OneDeO;CO_rad/NonDe] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HOCO(10)+C2H2O2(1070)<=>FA(1)+C2HO2(1001) 5.300000e+06 2.000 43.853 + +! Reaction index: Chemkin #3211; RMG #9827 +! Template reaction: H_Abstraction +! Flux pairs: CH3CHO(40), CH3CO(47); OCHO(11), FA(1); +! Estimated using template [CO/H/Cs;O_sec_rad] for rate rule [CO/H/Cs;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+CH3CHO(40)<=>FA(1)+CH3CO(47) 1.139649e+05 2.125 8.551 + +! Reaction index: Chemkin #3212; RMG #9828 +! Template reaction: H_Abstraction +! Flux pairs: CH3CHO(40), CH3CO(47); HOCO(10), FA(1); +! Estimated using average of templates [CO_H;CO_rad/NonDe] + [CO/H/Cs;Y_rad] for rate rule [CO/H/Cs;CO_rad/NonDe] +! Euclidian distance = 3.0 +! family: H_Abstraction +HOCO(10)+CH3CHO(40)<=>FA(1)+CH3CO(47) 4.254409e+08 0.900 5.810 + +! Reaction index: Chemkin #3213; RMG #9830 +! Template reaction: Disproportionation +! Flux pairs: CH(23), CH2(S)(22); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +CH(23)+O[CH]O(970)<=>CH2(S)(22)+FA(1) 1.698000e+14 0.000 0.000 + +! Reaction index: Chemkin #3214; RMG #9831 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), FA(1); CH(23), CH2(S)(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +CH(23)+HOCH2O(38)<=>CH2(S)(22)+FA(1) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3215; RMG #9832 +! Template reaction: Disproportionation +! Flux pairs: CHCHO(51), CH2CHO(45); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+CHCHO(51)<=>FA(1)+CH2CHO(45) 2.420000e+12 0.000 0.000 + +! Reaction index: Chemkin #3216; RMG #9833 +! Template reaction: Disproportionation +! Flux pairs: CHCHO(51), CH2CHO(45); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+CHCHO(51)<=>FA(1)+CH2CHO(45) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3217; RMG #9834 +! Template reaction: H_Abstraction +! Flux pairs: CH3CHO(40), CH2CHO(45); OCHO(11), FA(1); +! Estimated using template [C/H3/OneDe;O_rad/OneDeC] for rate rule [C/H3/CO;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +OCHO(11)+CH3CHO(40)<=>FA(1)+CH2CHO(45) 4.512000e-07 5.770 12.040 + +! Reaction index: Chemkin #3218; RMG #9835 +! Template reaction: H_Abstraction +! Flux pairs: CH3CHO(40), CH2CHO(45); HOCO(10), FA(1); +! Estimated using template [C_pri;CO_rad/NonDe] for rate rule [C/H3/CO;CO_rad/NonDe] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 3.0 +! family: H_Abstraction +HOCO(10)+CH3CHO(40)<=>FA(1)+CH2CHO(45) 9.060000e+03 2.750 41.233 + +! Reaction index: Chemkin #3219; RMG #9836 +! Template reaction: H_Abstraction +! Flux pairs: CH2CHOH(48), CH2CHO(45); OCHO(11), FA(1); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/OneDeC;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OCHO(11)+CH2CHOH(48)<=>FA(1)+CH2CHO(45) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #3220; RMG #9837 +! Template reaction: H_Abstraction +! Flux pairs: CH2CHOH(48), CH2CHO(45); HOCO(10), FA(1); +! Estimated using template [O_sec;CO_rad/NonDe] for rate rule [O/H/OneDeC;CO_rad/NonDe] +! Euclidian distance = 2.0 +! family: H_Abstraction +HOCO(10)+CH2CHOH(48)<=>FA(1)+CH2CHO(45) 1.582731e-04 4.663 41.320 + +! Reaction index: Chemkin #3221; RMG #9838 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1024), C2H3O2(1088); OCHO(11), FA(1); +! Estimated using template [C/H3/OneDe;O_rad/OneDeC] for rate rule [C/H3/CO;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +OCHO(11)+C2H4O2(1024)<=>FA(1)+C2H3O2(1088) 4.512000e-07 5.770 12.040 + +! Reaction index: Chemkin #3222; RMG #9839 +! Template reaction: H_Abstraction +! Flux pairs: C2H3O2(1088), C2H4O2(1024); FA(1), HOCO(10); +! Estimated using template [CO/H/NonDe;C_pri_rad] for rate rule [CO/H/NonDe;C_rad/H2/CO] +! Euclidian distance = 1.0 +! family: H_Abstraction +FA(1)+C2H3O2(1088)<=>HOCO(10)+C2H4O2(1024) 3.800000e+11 0.000 7.210 + +! Reaction index: Chemkin #3223; RMG #9840 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1116), C2H3O2(1088); OCHO(11), FA(1); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/OneDeC;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +OCHO(11)+C2H4O2(1116)<=>FA(1)+C2H3O2(1088) 1.398000e-01 3.750 19.545 + +! Reaction index: Chemkin #3224; RMG #9841 +! Template reaction: H_Abstraction +! Flux pairs: C2H4O2(1116), C2H3O2(1088); HOCO(10), FA(1); +! Estimated using template [O_sec;CO_rad/NonDe] for rate rule [O/H/OneDeC;CO_rad/NonDe] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HOCO(10)+C2H4O2(1116)<=>FA(1)+C2H3O2(1088) 3.165461e-04 4.663 41.320 + +! Reaction index: Chemkin #3225; RMG #9842 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), HCCOH(54); CHCHOH(55), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+CHCHOH(55)<=>FA(1)+HCCOH(54) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3226; RMG #9843 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), HCCOH(54); OCHO(11), FA(1); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+C2H3O(1084)<=>FA(1)+HCCOH(54) 8.792160e+08 1.422 0.000 + +! Reaction index: Chemkin #3227; RMG #9844 +! Template reaction: Disproportionation +! Flux pairs: CHCHOH(55), HCCOH(54); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+CHCHOH(55)<=>FA(1)+HCCOH(54) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3228; RMG #9845 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), HCCOH(54); HOCO(10), FA(1); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+C2H3O(1084)<=>FA(1)+HCCOH(54) 4.396080e+08 1.422 0.000 + +! Reaction index: Chemkin #3229; RMG #9846 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), HCCOH(54); O[CH]O(970), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+HCCO(53)<=>FA(1)+HCCOH(54) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3230; RMG #9848 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), HCCOH(54); HOCH2O(38), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+HCCO(53)<=>FA(1)+HCCOH(54) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3231; RMG #9862 +! Template reaction: H_Abstraction +! Flux pairs: H(5), H2(6); C2H4O2(1056), OCH2CHO(510); +! From training reaction 192 used for O/H/NonDeC;H_rad +! Exact match found for rate rule [O/H/NonDeC;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+C2H4O2(1056)<=>H2(6)+OCH2CHO(510) 4.100000e+04 2.658 9.221 + +! Reaction index: Chemkin #3232; RMG #9866 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); cC2H3O(61), C2H2O(1085); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +! Multiplied by reaction path degeneracy 2.0 +H(5)+cC2H3O(61)<=>H2(6)+C2H2O(1085) 2.712840e+10 0.470 0.000 + +! Reaction index: Chemkin #3233; RMG #9873 +! Template reaction: Disproportionation +! Flux pairs: CH2(21), CH3(7); C2H3O(1084), CH2CO(30); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +CH2(21)+C2H3O(1084)<=>CH3(7)+CH2CO(30) 1.210000e+12 0.000 0.000 + +! Reaction index: Chemkin #3234; RMG #9874 +! Template reaction: Disproportionation +! Flux pairs: CH3CO(47), CH2CO(30); CH2(21), CH3(7); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 3.0 +CH2(21)+CH3CO(47)<=>CH3(7)+CH2CO(30) 6.594120e+08 1.422 0.000 + +! Reaction index: Chemkin #3235; RMG #9875 +! Template reaction: Disproportionation +! Flux pairs: CH2CHO(45), CH2CO(30); CH2(21), CH3(7); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2(21)+CH2CHO(45)<=>CH3(7)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3236; RMG #9876 +! Template reaction: H_Abstraction +! Flux pairs: CH3(7), CH4(20); CH2CO(30), HCCO(53); +! From training reaction 251 used for Cd_Cdd/H2;C_methyl +! Exact match found for rate rule [Cd_Cdd/H2;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(7)+CH2CO(30)<=>CH4(20)+HCCO(53) 1.426000e+01 3.317 6.610 + +! Reaction index: Chemkin #3237; RMG #9878 +! Template reaction: H_Abstraction +! Flux pairs: CH3(7), CH4(20); OCO(1022), HOCH2O(38); +! From training reaction 233 used for O/H/NonDeC;C_methyl +! Exact match found for rate rule [O/H/NonDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(7)+OCO(1022)<=>HOCH2O(38)+CH4(20) 6.600000e+02 3.300 12.283 + +! Reaction index: Chemkin #3238; RMG #9879 +! Template reaction: H_Abstraction +! Flux pairs: CH3(7), CH4(20); OCO(1022), O[CH]O(970); +! Estimated using template [C/H2/NonDeO;C_methyl] for rate rule [C/H2/O2;C_methyl] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(7)+OCO(1022)<=>O[CH]O(970)+CH4(20) 2.000000e+01 3.370 7.630 + +! Reaction index: Chemkin #3239; RMG #9887 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); CH3CO2(73), C2H4O2(1024); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +FA(1)+CH3CO2(73)<=>HOCO(10)+C2H4O2(1024) 1.968453e+09 1.062 12.422 + +! Reaction index: Chemkin #3240; RMG #9888 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); C2H3(32), C2H4(24); +! Estimated using an average for rate rule [CO/H/NonDe;Cd_Cd\H2_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +FA(1)+C2H3(32)<=>HOCO(10)+C2H4(24) 8.130000e+10 0.000 3.680 + +! Reaction index: Chemkin #3241; RMG #9889 +! Template reaction: H_Abstraction +! Flux pairs: FA(1), HOCO(10); C2H(35), C2H2(34); +! Estimated using template [CO/H/NonDe;Y_rad] for rate rule [CO/H/NonDe;Ct_rad/Ct] +! Euclidian distance = 2.0 +! family: H_Abstraction +FA(1)+C2H(35)<=>HOCO(10)+C2H2(34) 5.075436e+06 1.809 6.406 + +! Reaction index: Chemkin #3242; RMG #9890 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), OCHCO(63); HCO(13), CH2O(12); +! Estimated using template [O/H/OneDeC;Y_rad] for rate rule [O/H/OneDeC;CO_pri_rad] +! Euclidian distance = 2.0 +! family: H_Abstraction +HCO(13)+C2H2O2(1030)<=>CH2O(12)+OCHCO(63) 5.435682e+03 2.704 5.226 + +! Reaction index: Chemkin #3243; RMG #9891 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1031), C2HO3(991); HCO(13), CH2O(12); +! Estimated using template [O/H/OneDeC;Y_rad] for rate rule [O/H/OneDeC;CO_pri_rad] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +HCO(13)+C2H2O3(1031)<=>CH2O(12)+C2HO3(991) 1.087136e+04 2.704 5.226 + +! Reaction index: Chemkin #3244; RMG #9895 +! Template reaction: H_Abstraction +! Flux pairs: CH3CO(47), CH3CHO(40); CH2O(12), HCO(13); +! Matched reaction 366 CH2O + C2H3O <=> C2H4O + HCO_r3 in H_Abstraction/training +! This reaction matched rate rule [CO_pri;CO_rad/Cs] +! family: H_Abstraction +CH2O(12)+CH3CO(47)<=>HCO(13)+CH3CHO(40) 1.810000e+11 0.000 12.920 + +! Reaction index: Chemkin #3245; RMG #9896 +! Template reaction: Disproportionation +! Flux pairs: CH3O4(1023), OC(O)(O)O(1071); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+CH3O4(1023)<=>CH2O(12)+OC(O)(O)O(1071) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3246; RMG #9897 +! Template reaction: Disproportionation +! Flux pairs: CH3O4(1023), OC(O)(O)O(1071); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+CH3O4(1023)<=>CH2O(12)+OC(O)(O)O(1071) 1.080000e+07 2.000 0.000 + +! Reaction index: Chemkin #3247; RMG #9898 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), HCCO(53); CHCHO(51), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCO(13)+CHCHO(51)<=>CH2O(12)+HCCO(53) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3248; RMG #9899 +! Template reaction: Disproportionation +! Flux pairs: C2O(57), HCCO(53); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +CH2OH(26)+C2O(57)<=>CH2O(12)+HCCO(53) 1.210000e+12 0.000 0.000 + +! Reaction index: Chemkin #3249; RMG #9900 +! Template reaction: Disproportionation +! Flux pairs: C2O(57), HCCO(53); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+C2O(57)<=>CH2O(12)+HCCO(53) 1.500000e+09 1.500 0.000 + +! Reaction index: Chemkin #3250; RMG #9901 +! Template reaction: H_Abstraction +! Flux pairs: HCCOH(54), HCCO(53); HCO(13), CH2O(12); +! Estimated using template [O/H/OneDeC;Y_rad] for rate rule [O/H/OneDeC;CO_pri_rad] +! Euclidian distance = 2.0 +! family: H_Abstraction +HCO(13)+HCCOH(54)<=>CH2O(12)+HCCO(53) 5.435682e+03 2.704 5.226 + +! Reaction index: Chemkin #3251; RMG #9902 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), CH2O(12); C2HO3(1015), C2O3(1069); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS +HCO(13)+C2HO3(1015)<=>CH2O(12)+C2O3(1069) 7.381120e+13 -0.000 0.000 + +! Reaction index: Chemkin #3252; RMG #9903 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2O3(1069); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- +! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +HCO(13)+C2HO3(1028)<=>CH2O(12)+C2O3(1069) 4.820000e+11 0.000 0.968 + +! Reaction index: Chemkin #3253; RMG #9904 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), HCCOH(54); CHCHOH(55), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCO(13)+CHCHOH(55)<=>CH2O(12)+HCCOH(54) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3254; RMG #9905 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), HCCOH(54); HCO(13), CH2O(12); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+C2H3O(1084)<=>CH2O(12)+HCCOH(54) 4.396080e+08 1.422 0.399 + +! Reaction index: Chemkin #3255; RMG #9906 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), HCCOH(54); CH2OH(26), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +CH2OH(26)+HCCO(53)<=>CH2O(12)+HCCOH(54) 1.810000e+13 0.000 0.845 + +! Reaction index: Chemkin #3256; RMG #9908 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), HCCOH(54); CH3O(27), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C +! Multiplied by reaction path degeneracy 3.0 +CH3O(27)+HCCO(53)<=>CH2O(12)+HCCOH(54) 1.080000e+07 2.000 0.311 + +! Reaction index: Chemkin #3257; RMG #9910 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); CH3CO2(73), C2H4O2(1024); +! Estimated using template [CO_pri;O_rad/OneDe] for rate rule [CO_pri;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CH2O(12)+CH3CO2(73)<=>HCO(13)+C2H4O2(1024) 1.420000e-07 5.640 9.221 + +! Reaction index: Chemkin #3258; RMG #9911 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); C2H3O2(1088), C2H4O2(1024); +! Estimated using template [CO_pri;C_pri_rad] for rate rule [CO_pri;C_rad/H2/CO] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(12)+C2H3O2(1088)<=>HCO(13)+C2H4O2(1024) 1.298364e+01 3.380 9.040 + +! Reaction index: Chemkin #3259; RMG #9912 +! Template reaction: H_Abstraction +! Flux pairs: CH2O(12), HCO(13); CH2CHO(45), CH3CHO(40); +! Estimated using template [CO_pri;C_pri_rad] for rate rule [CO_pri;C_rad/H2/CO] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH2O(12)+CH2CHO(45)<=>HCO(13)+CH3CHO(40) 1.298364e+01 3.380 9.040 + +! Reaction index: Chemkin #3260; RMG #9920 +! Template reaction: H_Abstraction +! Flux pairs: CHO3(986), CH2O3(1000); CH2CO(30), HCCO(53); +! Estimated using an average for rate rule [Cd_Cdd/H2;O_rad/OneDeC] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO3(986)+CH2CO(30)<=>CH2O3(1000)+HCCO(53) 8.400000e-03 4.360 24.679 + +! Reaction index: Chemkin #3261; RMG #9921 +! Template reaction: H_Abstraction +! Flux pairs: CHO3(986), CH2O3(1000); OCO(1022), HOCH2O(38); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/NonDeC;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO3(986)+OCO(1022)<=>CH2O3(1000)+HOCH2O(38) 1.398000e-01 3.750 19.545 + +! Reaction index: Chemkin #3262; RMG #9922 +! Template reaction: H_Abstraction +! Flux pairs: OCHCHO(52), OCHCO(63); CHO3(986), CH2O3(1000); +! Estimated using average of templates [CO_H;O_rad/OneDe] + [CO_sec;O_sec_rad] for rate rule [CO/H/OneDe;O_rad/OneDeC] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO3(986)+OCHCHO(52)<=>CH2O3(1000)+OCHCO(63) 2.710567e+02 3.086 11.789 + +! Reaction index: Chemkin #3263; RMG #9923 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), OCHCO(63); CHO3(986), CH2O3(1000); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/OneDeC;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+C2H2O2(1030)<=>CH2O3(1000)+OCHCO(63) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #3264; RMG #9924 +! Template reaction: H_Abstraction +! Flux pairs: OCHCHO(52), OCHCO(63); CH3(7), CH4(20); +! Estimated using template [CO_sec;C_methyl] for rate rule [CO/H/OneDe;C_methyl] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(7)+OCHCHO(52)<=>CH4(20)+OCHCO(63) 7.000000e-08 6.210 1.629 + +! Reaction index: Chemkin #3265; RMG #9925 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O2(1030), OCHCO(63); CH3(7), CH4(20); +! From training reaction 693 used for O/H/OneDeC;C_methyl +! Exact match found for rate rule [O/H/OneDeC;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(7)+C2H2O2(1030)<=>CH4(20)+OCHCO(63) 8.200000e+05 1.870 6.620 + +! Reaction index: Chemkin #3266; RMG #9926 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(977), C2HO3(991); CHO3(986), CH2O3(1000); +! Estimated using average of templates [CO_H;O_rad/OneDe] + [CO_sec;O_sec_rad] for rate rule [CO/H/OneDe;O_rad/OneDeC] +! Euclidian distance = 2.23606797749979 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+C2H2O3(977)<=>CH2O3(1000)+C2HO3(991) 1.355284e+02 3.086 11.789 + +! Reaction index: Chemkin #3267; RMG #9927 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1031), C2HO3(991); CHO3(986), CH2O3(1000); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/OneDeC;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO3(986)+C2H2O3(1031)<=>CH2O3(1000)+C2HO3(991) 1.398000e-01 3.750 19.545 + +! Reaction index: Chemkin #3268; RMG #9928 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(977), C2HO3(991); CH3(7), CH4(20); +! Estimated using template [CO_sec;C_methyl] for rate rule [CO/H/OneDe;C_methyl] +! Euclidian distance = 1.0 +! family: H_Abstraction +CH3(7)+C2H2O3(977)<=>CH4(20)+C2HO3(991) 3.500000e-08 6.210 1.629 + +! Reaction index: Chemkin #3269; RMG #9929 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1031), C2HO3(991); CH3(7), CH4(20); +! From training reaction 693 used for O/H/OneDeC;C_methyl +! Exact match found for rate rule [O/H/OneDeC;C_methyl] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CH3(7)+C2H2O3(1031)<=>CH4(20)+C2HO3(991) 1.640000e+06 1.870 6.620 + +! Reaction index: Chemkin #3270; RMG #9930 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(976), C2HO3(990); CHO3(986), CH2O3(1000); +! Estimated using template [CO/H/NonDe;O_sec_rad] for rate rule [CO/H/NonDe;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 4.0 +! family: H_Abstraction +CHO3(986)+C2H2O3(976)<=>CH2O3(1000)+C2HO3(990) 3.936906e+09 1.062 12.422 + +! Reaction index: Chemkin #3271; RMG #9931 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)O(1039), O[C](O)O(1021); CHO3(986), CH2O3(1000); +! Estimated using template [C/H/NonDe;O_sec_rad] for rate rule [C/H/O3;O_rad/OneDeC] +! Euclidian distance = 2.8284271247461903 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+OC(O)O(1039)<=>CH2O3(1000)+O[C](O)O(1021) 4.613025e+11 0.000 12.858 + +! Reaction index: Chemkin #3272; RMG #9932 +! Template reaction: H_Abstraction +! Flux pairs: OC(O)O(1039), [O]C(O)O(972); CHO3(986), CH2O3(1000); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/NonDeC;O_rad/OneDeC] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 6.0 +! family: H_Abstraction +CHO3(986)+OC(O)O(1039)<=>CH2O3(1000)+[O]C(O)O(972) 2.097000e-01 3.750 19.545 + +! Reaction index: Chemkin #3273; RMG #9933 +! Template reaction: H_Abstraction +! Flux pairs: CH3CHO(40), CH3CO(47); CHO3(986), CH2O3(1000); +! Estimated using template [CO/H/Cs;O_sec_rad] for rate rule [CO/H/Cs;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+CH3CHO(40)<=>CH2O3(1000)+CH3CO(47) 1.139649e+05 2.125 8.551 + +! Reaction index: Chemkin #3274; RMG #9936 +! Template reaction: Disproportionation +! Flux pairs: CH(23), CH2(S)(22); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +! Multiplied by reaction path degeneracy 3.0 +CH(23)+O[C](O)O(1021)<=>CH2(S)(22)+CH2O3(1000) 2.547000e+14 0.000 0.000 + +! Reaction index: Chemkin #3275; RMG #9937 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), CH2O3(1000); CH(23), CH2(S)(22); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH(23)+[O]C(O)O(972)<=>CH2(S)(22)+CH2O3(1000) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3276; RMG #9938 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), HCCO(53); CHCHO(51), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+CHCHO(51)<=>CH2O3(1000)+HCCO(53) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3277; RMG #9939 +! Template reaction: Disproportionation +! Flux pairs: C2O(57), HCCO(53); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+C2O(57)<=>CH2O3(1000)+HCCO(53) 3.630000e+12 0.000 0.000 + +! Reaction index: Chemkin #3278; RMG #9940 +! Template reaction: Disproportionation +! Flux pairs: C2O(57), HCCO(53); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +[O]C(O)O(972)+C2O(57)<=>CH2O3(1000)+HCCO(53) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3279; RMG #9941 +! Template reaction: H_Abstraction +! Flux pairs: HCCOH(54), HCCO(53); CHO3(986), CH2O3(1000); +! Estimated using template [O_sec;O_rad/OneDeC] for rate rule [O/H/OneDeC;O_rad/OneDeC] +! Euclidian distance = 2.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +CHO3(986)+HCCOH(54)<=>CH2O3(1000)+HCCO(53) 6.990000e-02 3.750 19.545 + +! Reaction index: Chemkin #3280; RMG #9942 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), HCCOH(54); CHCHOH(55), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+CHCHOH(55)<=>CH2O3(1000)+HCCOH(54) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3281; RMG #9943 +! Template reaction: Disproportionation +! Flux pairs: C2H3O(1084), HCCOH(54); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-2R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+C2H3O(1084)<=>CH2O3(1000)+HCCOH(54) 8.792160e+08 1.422 0.000 + +! Reaction index: Chemkin #3282; RMG #9944 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), HCCOH(54); O[C](O)O(1021), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 3.0 +O[C](O)O(1021)+HCCO(53)<=>CH2O3(1000)+HCCOH(54) 5.430000e+13 0.000 0.000 + +! Reaction index: Chemkin #3283; RMG #9946 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), HCCOH(54); [O]C(O)O(972), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +[O]C(O)O(972)+HCCO(53)<=>CH2O3(1000)+HCCOH(54) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3284; RMG #9948 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); CHCHO(51), HCCO(53); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH3(7)+CHCHO(51)<=>CH4(20)+HCCO(53) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3285; RMG #9949 +! Template reaction: H_Abstraction +! Flux pairs: HCCOH(54), HCCO(53); CH3(7), CH4(20); +! From training reaction 693 used for O/H/OneDeC;C_methyl +! Exact match found for rate rule [O/H/OneDeC;C_methyl] +! Euclidian distance = 0 +! family: H_Abstraction +CH3(7)+HCCOH(54)<=>CH4(20)+HCCO(53) 8.200000e+05 1.870 6.620 + +! Reaction index: Chemkin #3286; RMG #9950 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), CH2CO(30); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +HCCO(53)+[O]C#CO(1004)<=>C2O2(1002)+CH2CO(30) 3.010000e+13 0.000 2.132 + +! Reaction index: Chemkin #3287; RMG #9951 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); HCCO(53), CH2CO(30); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCCO(53)+OCHCO(63)<=>C2O2(1002)+CH2CO(30) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3288; RMG #9952 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); [O]C#CO(1004), C2O2(1002); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCH2O(38)+[O]C#CO(1004)<=>OCO(1022)+C2O2(1002) 1.810000e+13 0.000 1.383 + +! Reaction index: Chemkin #3289; RMG #9953 +! Template reaction: Disproportionation +! Flux pairs: [O]C#CO(1004), C2O2(1002); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +O[CH]O(970)+[O]C#CO(1004)<=>OCO(1022)+C2O2(1002) 4.820000e+12 0.000 3.905 + +! Reaction index: Chemkin #3290; RMG #9954 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); HOCH2O(38), OCO(1022); +! Estimated from node Root_Ext-1R!H-R +HOCH2O(38)+OCHCO(63)<=>OCO(1022)+C2O2(1002) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3291; RMG #9955 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2O2(1002); O[CH]O(970), OCO(1022); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +O[CH]O(970)+OCHCO(63)<=>OCO(1022)+C2O2(1002) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3292; RMG #5847 +! Template reaction: Disproportionation +! Flux pairs: O(16), OH(3); C2H3O3(1100), C2H2O3(977); +! Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +O(16)+C2H3O3(1100)<=>OH(3)+C2H2O3(977) 1.808000e+14 0.000 0.000 + +! Reaction index: Chemkin #3293; RMG #5857 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); C2H3O3(1100), C2H2O3(977); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C +! Multiplied by reaction path degeneracy 2.0 +H(5)+C2H3O3(1100)<=>H2(6)+C2H2O3(977) 4.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #3294; RMG #5868 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); C2H3O3(1100), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +OH(3)+C2H3O3(1100)<=>H2O(17)+C2H2O3(977) 4.820000e+13 0.000 0.000 + +! Reaction index: Chemkin #3295; RMG #5904 +! Template reaction: Disproportionation +! Flux pairs: OCHO(11), C2H2O3(977); C2H3O3(1100), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +OCHO(11)+C2H3O3(1100)<=>FA(1)+C2H2O3(977) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #3296; RMG #5908 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); HOCO(10), FA(1); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +HOCO(10)+C2H3O3(1100)<=>FA(1)+C2H2O3(977) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #3297; RMG #5918 +! Template reaction: Disproportionation +! Flux pairs: O2(2), HO2(4); C2H3O3(1100), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 +! Multiplied by reaction path degeneracy 4.0 +O2(2)+C2H3O3(1100)<=>HO2(4)+C2H2O3(977) 2.288360e+13 0.000 0.000 + +! Reaction index: Chemkin #3298; RMG #5925 +! Template reaction: Disproportionation +! Flux pairs: HCO(13), C2H2O3(977); C2H3O3(1100), CH2O(12); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +HCO(13)+C2H3O3(1100)<=>CH2O(12)+C2H2O3(977) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #3299; RMG #5937 +! Template reaction: Disproportionation +! Flux pairs: HO2(4), H2O2(18); C2H3O3(1100), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +HO2(4)+C2H3O3(1100)<=>H2O2(18)+C2H2O3(977) 2.420000e+13 0.000 0.000 + +! Reaction index: Chemkin #3300; RMG #5953 +! Template reaction: Disproportionation +! Flux pairs: CHO4(989), C2H2O3(977); C2H3O3(1100), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO4(989)+C2H3O3(1100)<=>CH2O4(1005)+C2H2O3(977) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #3301; RMG #5957 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); CHO4(985), CH2O4(1005); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO4(985)+C2H3O3(1100)<=>CH2O4(1005)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3302; RMG #5965 +! Template reaction: Disproportionation +! Flux pairs: CHO3(986), C2H2O3(977); C2H3O3(1100), CH2O3(1000); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +CHO3(986)+C2H3O3(1100)<=>CH2O3(1000)+C2H2O3(977) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #3303; RMG #5979 +! Template reaction: Disproportionation +! Flux pairs: O2CHO(67), C2H2O3(977); C2H3O3(1100), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +O2CHO(67)+C2H3O3(1100)<=>HO2CHO(68)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3304; RMG #5983 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); CHO3(1009), HO2CHO(68); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CHO3(1009)+C2H3O3(1100)<=>HO2CHO(68)+C2H2O3(977) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #3305; RMG #5991 +! Template reaction: Disproportionation +! Flux pairs: CH3O(27), CH3OH(25); C2H3O3(1100), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CH3O(27)+C2H3O3(1100)<=>CH3OH(25)+C2H2O3(977) 4.820000e+13 0.000 0.000 + +! Reaction index: Chemkin #3306; RMG #5995 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); CH2OH(26), CH3OH(25); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CH2OH(26)+C2H3O3(1100)<=>CH3OH(25)+C2H2O3(977) 9.640000e+12 0.000 0.000 + +! Reaction index: Chemkin #3307; RMG #5999 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(993), C2H2O3(977); C2H3O3(1100), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +C2HO3(993)+C2H3O3(1100)<=>C2H2O3(977)+C2H2O3(977) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #3308; RMG #6003 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); C2HO3(991), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +C2HO3(991)+C2H3O3(1100)<=>C2H2O3(977)+C2H2O3(977) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #3309; RMG #6016 +! Template reaction: Disproportionation +! Flux pairs: CH3(7), CH4(20); C2H3O3(1100), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C +! Multiplied by reaction path degeneracy 2.0 +CH3(7)+C2H3O3(1100)<=>CH4(20)+C2H2O3(977) 1.698000e+14 0.000 0.000 + +! Reaction index: Chemkin #3310; RMG #6024 +! Template reaction: Disproportionation +! Flux pairs: OCHCO(63), C2H2O3(977); C2H3O3(1100), OCHCHO(52); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +OCHCO(63)+C2H3O3(1100)<=>OCHCHO(52)+C2H2O3(977) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #3311; RMG #6038 +! Template reaction: Disproportionation +! Flux pairs: HCCO(53), C2H2O3(977); C2H3O3(1100), CH2CO(30); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +HCCO(53)+C2H3O3(1100)<=>CH2CO(30)+C2H2O3(977) 6.020000e+13 0.000 0.000 + +! Reaction index: Chemkin #3312; RMG #6048 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O(38), OCO(1022); C2H3O3(1100), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +HOCH2O(38)+C2H3O3(1100)<=>OCO(1022)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3313; RMG #6052 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); O[CH]O(970), OCO(1022); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[CH]O(970)+C2H3O3(1100)<=>OCO(1022)+C2H2O3(977) 9.640000e+12 0.000 0.000 + +! Reaction index: Chemkin #3314; RMG #6096 +! PDep reaction: PDepNetwork #83 +! Flux pairs: CO(8), C2H3O3(1100); O[CH]O(970), C2H3O3(1100); +CO(8)+O[CH]O(970)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.980e+00 -4.507e-01 -1.558e-01 8.670e-03 / + CHEB/ 8.536e+00 1.240e+00 -4.374e-02 -3.087e-02 / + CHEB/ 8.755e-02 3.151e-01 6.781e-02 -8.960e-03 / + CHEB/ -4.323e-02 -6.165e-03 2.181e-02 9.578e-03 / + CHEB/ -1.153e-02 -3.526e-02 -6.571e-03 3.021e-03 / + CHEB/ 2.092e-02 -5.483e-03 -5.931e-03 -2.289e-03 / + +! Reaction index: Chemkin #3315; RMG #6213 +! Template reaction: Disproportionation +! Flux pairs: [O]C(O)O(972), OC(O)O(1039); C2H3O3(1100), C2H2O3(977); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +[O]C(O)O(972)+C2H3O3(1100)<=>OC(O)O(1039)+C2H2O3(977) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3316; RMG #6214 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); O[C](O)O(1021), OC(O)O(1039); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +O[C](O)O(1021)+C2H3O3(1100)<=>OC(O)O(1039)+C2H2O3(977) 9.640000e+12 0.000 0.000 + +! Reaction index: Chemkin #3317; RMG #10118 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), C2H3O3(1032); +C2H3O3(1100)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.615e+00 8.514e-01 -1.423e-01 1.110e-02 / + CHEB/ 1.102e+01 1.037e+00 -6.402e-02 -2.474e-02 / + CHEB/ -4.742e-01 3.188e-01 5.116e-02 -1.332e-02 / + CHEB/ -1.507e-01 2.885e-02 2.667e-02 6.503e-03 / + CHEB/ -1.643e-02 -2.029e-02 -1.055e-03 4.661e-03 / + CHEB/ 6.813e-03 -2.746e-03 -5.912e-03 -8.137e-04 / + +! Reaction index: Chemkin #3318; RMG #6844 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); CH3CO2(73), C2H4O2(1024); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 4.0 +CH3CO2(73)+C2H3O3(1100)<=>C2H2O3(977)+C2H4O2(1024) 7.240000e+13 0.000 0.000 + +! Reaction index: Chemkin #3319; RMG #6845 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); C2H3O2(1088), C2H4O2(1024); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1088)+C2H3O3(1100)<=>C2H2O3(977)+C2H4O2(1024) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3320; RMG #6877 +! PDep reaction: PDepNetwork #214 +! Flux pairs: H(5), C2H3O3(1100); C2H2O3(977), C2H3O3(1100); +H(5)+C2H2O3(977)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.661e+00 4.093e-01 -5.110e-02 2.462e-03 / + CHEB/ 2.045e+00 5.838e-01 -4.162e-02 -5.217e-03 / + CHEB/ -2.519e-01 2.349e-01 1.330e-02 -5.890e-03 / + CHEB/ -1.095e-01 4.347e-02 1.668e-02 -5.520e-04 / + CHEB/ -1.855e-02 -9.746e-03 5.586e-03 9.076e-04 / + CHEB/ 6.710e-03 -7.979e-03 -3.696e-04 3.169e-04 / + +! Reaction index: Chemkin #3321; RMG #6903 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(1031); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +H(5)+C2H3O3(1100)<=>H2(6)+C2H2O3(1031) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3322; RMG #6909 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(1031); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+C2H3O3(1100)<=>H2O(17)+C2H2O3(1031) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3323; RMG #7022 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); CH2CHO(45), CH3CHO(40); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH2CHO(45)+C2H3O3(1100)<=>C2H2O3(977)+CH3CHO(40) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3324; RMG #7023 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); CH3CO(47), CH3CHO(40); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CH3CO(47)+C2H3O3(1100)<=>C2H2O3(977)+CH3CHO(40) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #3325; RMG #7032 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(1031); OCHO(11), FA(1); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCHO(11)+C2H3O3(1100)<=>FA(1)+C2H2O3(1031) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3326; RMG #7035 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(1031); HOCO(10), FA(1); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HOCO(10)+C2H3O3(1100)<=>FA(1)+C2H2O3(1031) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3327; RMG #7050 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(1031); CHO3(986), CH2O3(1000); +! Estimated from node Root_Ext-1R!H-R +! Multiplied by reaction path degeneracy 2.0 +CHO3(986)+C2H3O3(1100)<=>CH2O3(1000)+C2H2O3(1031) 1.889016e+10 0.509 0.000 + +! Reaction index: Chemkin #3328; RMG #10231 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), HCO(13); C2H3O3(1100), FA(1); +C2H3O3(1100)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -8.515e+00 -1.295e-02 -2.774e-01 -8.792e-03 / + CHEB/ 1.479e+01 1.418e+00 1.476e-01 -2.573e-02 / + CHEB/ 1.491e-01 1.011e-01 7.160e-02 -2.434e-03 / + CHEB/ 5.099e-02 -1.017e-01 -1.911e-02 2.264e-03 / + CHEB/ 2.851e-02 -6.935e-02 -1.620e-02 2.452e-03 / + CHEB/ 4.852e-03 -2.079e-03 5.030e-03 5.090e-03 / + +! Reaction index: Chemkin #3329; RMG #7627 +! PDep reaction: PDepNetwork #310 +! Flux pairs: OH(3), C2H3O3(1100); C2H2O2(1030), C2H3O3(1100); +OH(3)+C2H2O2(1030)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.830e+00 9.794e-01 -1.524e-01 -2.606e-02 / + CHEB/ 1.594e+00 3.661e-01 1.031e-01 1.282e-02 / + CHEB/ 3.963e-01 3.582e-02 -3.465e-03 9.246e-03 / + CHEB/ 1.013e-01 1.690e-02 -7.885e-03 -9.657e-03 / + CHEB/ 6.102e-02 -2.336e-03 2.341e-03 -4.568e-03 / + CHEB/ 2.818e-02 3.904e-04 5.590e-03 1.430e-03 / +DUPLICATE + +! Reaction index: Chemkin #3330; RMG #10227 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), CO2(9); C2H3O3(1100), CH2OH(26); +C2H3O3(1100)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.225e+00 -5.428e-01 -1.440e-01 5.330e-03 / + CHEB/ 1.492e+01 8.983e-01 2.763e-03 -1.462e-02 / + CHEB/ 1.908e-04 2.847e-01 1.571e-02 1.067e-03 / + CHEB/ -7.825e-02 8.382e-02 -7.267e-04 1.017e-03 / + CHEB/ -7.109e-02 1.071e-02 2.171e-03 -1.217e-03 / + CHEB/ -3.902e-02 -5.873e-06 2.671e-03 -7.670e-04 / + +! Reaction index: Chemkin #3331; RMG #7815 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), C2H3O3(1100); +C2H3O3(1043)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.299e+01 3.264e-01 -1.531e-01 7.911e-03 / + CHEB/ 1.351e+01 1.761e+00 6.442e-02 -1.490e-02 / + CHEB/ 3.046e-01 4.531e-01 8.099e-02 1.035e-02 / + CHEB/ 2.321e-02 1.348e-01 1.451e-02 2.016e-03 / + CHEB/ 1.599e-02 7.505e-02 4.785e-03 -3.585e-03 / + CHEB/ 3.619e-02 4.892e-02 1.258e-03 -4.372e-03 / + +! Reaction index: Chemkin #3332; RMG #7823 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), C2H3O3(1100); C2H2O2(1070), C2H3O3(1100); +OH(3)+C2H2O2(1070)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.222e+01 9.809e-01 -1.877e-01 -2.809e-02 / + CHEB/ 1.336e+01 5.663e-01 1.652e-01 8.182e-03 / + CHEB/ 9.923e-01 -2.401e-02 1.621e-02 1.131e-02 / + CHEB/ 3.889e-01 -4.959e-02 -1.790e-02 -7.719e-04 / + CHEB/ 1.754e-01 -2.150e-02 -1.149e-02 -3.579e-03 / + CHEB/ 6.656e-02 4.884e-03 -6.625e-04 -1.681e-03 / + +! Reaction index: Chemkin #3333; RMG #7834 +! PDep reaction: PDepNetwork #311 +! Flux pairs: OH(3), C2H3O3(1100); C2H2O2(1030), C2H3O3(1100); +OH(3)+C2H2O2(1030)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.940e+00 -7.879e-01 -1.319e-01 1.306e-02 / + CHEB/ 1.766e+00 6.235e-01 3.604e-02 -3.168e-02 / + CHEB/ 3.505e-01 1.695e-01 5.838e-02 -2.800e-03 / + CHEB/ 5.501e-02 -7.608e-03 2.213e-02 8.493e-03 / + CHEB/ 5.089e-03 -3.652e-02 -2.658e-03 5.080e-03 / + CHEB/ 4.479e-03 -2.078e-02 -7.724e-03 3.539e-04 / +DUPLICATE + +! Reaction index: Chemkin #3334; RMG #10115 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), C2H3O3(1066); +C2H3O3(1100)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.150e-03 2.180e-01 -2.373e-02 3.386e-04 / + CHEB/ 8.944e+00 3.813e-01 -3.702e-02 -3.606e-04 / + CHEB/ -1.955e-01 2.533e-01 -1.523e-02 -1.916e-03 / + CHEB/ -1.632e-01 1.241e-01 1.302e-03 -1.980e-03 / + CHEB/ -8.378e-02 4.129e-02 5.952e-03 -8.117e-04 / + CHEB/ -3.211e-02 7.378e-03 3.379e-03 1.571e-04 / + +! Reaction index: Chemkin #3335; RMG #8304 +! PDep reaction: PDepNetwork #80 +! Flux pairs: H2O(17), C2H3O3(1100); OCHCO(63), C2H3O3(1100); +H2O(17)+OCHCO(63)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.260e+01 2.538e-01 -1.964e-01 -9.934e-03 / + CHEB/ 1.572e+01 8.365e-01 1.029e-01 2.432e-02 / + CHEB/ 5.435e-01 2.103e-01 1.796e-02 -1.623e-02 / + CHEB/ 1.270e-01 5.276e-02 1.613e-02 -6.144e-03 / + CHEB/ 5.545e-02 -3.029e-03 1.365e-02 3.378e-03 / + CHEB/ 3.058e-02 -2.883e-03 7.188e-03 3.704e-03 / + +! Reaction index: Chemkin #3336; RMG #8357 +! PDep reaction: PDepNetwork #129 +! Flux pairs: CO(8), C2H3O3(1100); HOCH2O(38), C2H3O3(1100); +CO(8)+HOCH2O(38)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.319e+01 1.468e+00 -2.971e-02 -1.246e-02 / + CHEB/ 2.285e+01 5.340e-02 2.912e-02 1.153e-02 / + CHEB/ 1.676e+00 -1.901e-02 -1.005e-02 -3.884e-03 / + CHEB/ 8.878e-02 -1.233e-03 -1.042e-03 -5.522e-04 / + CHEB/ -6.215e-02 4.259e-03 2.613e-03 1.201e-03 / + CHEB/ 7.081e-02 5.330e-03 3.150e-03 1.380e-03 / + +! Reaction index: Chemkin #3337; RMG #8387 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), C2H3O3(1100); OCHCHO(52), C2H3O3(1100); +OH(3)+OCHCHO(52)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.778e+00 1.440e+00 -4.201e-02 -1.571e-02 / + CHEB/ 8.987e+00 3.562e-02 1.273e-02 1.930e-03 / + CHEB/ 5.942e-01 -4.603e-03 8.037e-04 1.457e-03 / + CHEB/ 1.815e-01 1.144e-02 5.949e-03 2.535e-03 / + CHEB/ 1.011e-01 7.599e-03 4.310e-03 1.600e-03 / + CHEB/ 3.328e-02 4.021e-03 2.191e-03 8.049e-04 / + +! Reaction index: Chemkin #3338; RMG #8519 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); OCH2CHO(510), C2H4O2(1056); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +OCH2CHO(510)+C2H3O3(1100)<=>C2H2O3(977)+C2H4O2(1056) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3339; RMG #8520 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); C2H3O2(1046), C2H4O2(1056); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1046)+C2H3O3(1100)<=>C2H2O3(977)+C2H4O2(1056) 5.711220e+13 -0.375 0.497 + +! Reaction index: Chemkin #3340; RMG #8521 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); C2H3O2(1042), C2H4O2(1056); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +C2H3O2(1042)+C2H3O3(1100)<=>C2H2O3(977)+C2H4O2(1056) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #3341; RMG #8542 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), C2H3O3(1100); +C2H3O3(1012)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.171e+00 1.463e+00 -2.758e-01 -7.988e-03 / + CHEB/ 8.060e+00 1.433e+00 1.418e-01 -2.538e-02 / + CHEB/ 4.878e-01 1.344e-01 7.562e-02 -2.728e-03 / + CHEB/ 2.350e-02 -9.069e-02 -1.534e-02 2.355e-03 / + CHEB/ -4.471e-02 -7.345e-02 -1.737e-02 1.692e-03 / + CHEB/ -3.291e-02 -8.991e-03 3.118e-03 4.812e-03 / + +! Reaction index: Chemkin #3342; RMG #10236 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), CO2(9); C2H3O3(1100), CH3O(27); +C2H3O3(1100)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.582e+01 1.159e+00 -1.526e-01 -2.917e-02 / + CHEB/ 2.674e+01 2.923e-01 1.081e-01 1.021e-02 / + CHEB/ 3.215e-01 5.802e-02 3.444e-02 1.249e-02 / + CHEB/ 1.833e-01 1.253e-02 8.309e-03 4.411e-03 / + CHEB/ 1.652e-01 -1.074e-02 -2.141e-03 1.468e-03 / + CHEB/ 1.094e-01 -2.482e-03 -1.211e-03 -1.797e-04 / + +! Reaction index: Chemkin #3343; RMG #8946 +! PDep reaction: PDepNetwork #186 +! Flux pairs: H(5), C2H3O3(1100); C2H2O3(976), C2H3O3(1100); +H(5)+C2H2O3(976)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.018e+00 3.985e-01 -2.962e-01 -2.687e-02 / + CHEB/ 8.288e+00 1.342e+00 2.920e-01 4.497e-03 / + CHEB/ 7.863e-01 -2.490e-01 -2.911e-02 -8.619e-03 / + CHEB/ 8.097e-02 -9.615e-02 -2.683e-02 9.463e-03 / + CHEB/ 4.287e-02 2.475e-02 1.469e-02 9.699e-03 / + CHEB/ 7.304e-03 4.362e-02 1.129e-02 -3.187e-03 / + +! Reaction index: Chemkin #3344; RMG #8983 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), C2H3O3(1100); +C2H3O3(1011)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.269e+01 1.540e+00 -3.376e-01 -3.001e-02 / + CHEB/ 1.391e+01 1.547e+00 2.603e-01 5.164e-04 / + CHEB/ 5.334e-01 -5.138e-02 2.759e-02 -7.351e-03 / + CHEB/ 1.444e-01 -1.134e-01 -2.575e-02 8.514e-04 / + CHEB/ 6.825e-02 -5.535e-02 -9.720e-03 7.464e-03 / + CHEB/ -2.888e-02 2.254e-02 1.211e-02 5.424e-03 / + +! Reaction index: Chemkin #3345; RMG #9047 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), C2H3O3(1100); +HOCH2OCO(96)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.562e+01 7.914e-01 -3.554e-01 -2.589e-02 / + CHEB/ 1.603e+01 1.722e+00 1.965e-01 2.054e-03 / + CHEB/ 5.759e-01 -7.405e-03 -7.653e-02 -1.770e-02 / + CHEB/ -1.677e-02 -3.546e-03 -6.771e-03 1.741e-03 / + CHEB/ 2.819e-02 1.438e-02 3.983e-02 4.517e-03 / + CHEB/ 2.480e-02 8.383e-03 1.743e-02 -2.568e-03 / + +! Reaction index: Chemkin #3346; RMG #9129 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), C2H3O3(1100); +OCH2OCHO(93)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.583e+01 1.572e+00 -3.616e-01 -3.741e-02 / + CHEB/ 1.445e+01 1.593e+00 3.142e-01 1.227e-02 / + CHEB/ 8.248e-01 -1.330e-01 1.467e-03 -1.237e-02 / + CHEB/ 2.616e-01 -1.213e-01 -3.126e-02 1.980e-03 / + CHEB/ 1.539e-01 -3.515e-02 -1.634e-03 1.060e-02 / + CHEB/ 3.773e-02 3.407e-02 1.412e-02 3.775e-03 / + +! Reaction index: Chemkin #3347; RMG #9219 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), C2H3O3(1100); +[O]C1OC1O(1092)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.464e-01 1.629e+00 -2.796e-01 -1.224e-02 / + CHEB/ 4.647e+00 1.416e+00 1.847e-01 -1.946e-02 / + CHEB/ 4.394e-01 2.545e-02 5.876e-02 -2.138e-03 / + CHEB/ 7.814e-02 -1.302e-01 -2.955e-02 2.593e-03 / + CHEB/ 6.398e-03 -5.482e-02 -9.754e-03 6.094e-03 / + CHEB/ -7.930e-03 1.926e-02 1.136e-02 5.555e-03 / + +! Reaction index: Chemkin #3348; RMG #9299 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), C2H3O3(1100); CH2O(12), C2H3O3(1100); +HOCO(10)+CH2O(12)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.126e+00 -1.415e+00 -2.051e-01 7.999e-03 / + CHEB/ 1.018e+01 1.381e+00 1.964e-02 -2.376e-02 / + CHEB/ 2.622e-01 2.574e-01 4.121e-02 5.685e-03 / + CHEB/ -6.890e-02 1.714e-02 -5.052e-03 3.709e-03 / + CHEB/ -7.775e-02 -5.241e-03 -4.950e-03 -6.889e-04 / + CHEB/ -3.159e-02 7.557e-03 5.420e-04 -5.754e-04 / + +! Reaction index: Chemkin #3349; RMG #9394 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), C2H3O3(1100); +C2H3O3(1029)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.730e+00 -4.333e-01 -1.277e-01 7.190e-03 / + CHEB/ 1.061e+01 1.259e+00 -3.224e-02 -1.708e-02 / + CHEB/ 1.321e-02 3.668e-01 3.772e-02 -1.797e-03 / + CHEB/ -1.009e-01 4.614e-02 8.060e-03 3.939e-03 / + CHEB/ -6.630e-02 -3.607e-03 -4.042e-03 2.642e-04 / + CHEB/ -3.645e-02 7.648e-03 -2.103e-03 -6.521e-04 / + +! Reaction index: Chemkin #3350; RMG #9529 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(1031); HO2(4), H2O2(18); +! Estimated from node Root_Ext-1R!H-R +HO2(4)+C2H3O3(1100)<=>H2O2(18)+C2H2O3(1031) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3351; RMG #9572 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); CH2OCHO(97), CH3OCHO(95); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH2OCHO(97)+C2H3O3(1100)<=>C2H2O3(977)+CH3OCHO(95) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3352; RMG #9573 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); CH3OCO(98), CH3OCHO(95); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CH3OCO(98)+C2H3O3(1100)<=>C2H2O3(977)+CH3OCHO(95) 3.620000e+14 0.000 0.000 + +! Reaction index: Chemkin #3353; RMG #9621 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(1031); HCO(13), CH2O(12); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +HCO(13)+C2H3O3(1100)<=>CH2O(12)+C2H2O3(1031) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3354; RMG #9642 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(1031); CH3O(27), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R +CH3O(27)+C2H3O3(1100)<=>CH3OH(25)+C2H2O3(1031) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3355; RMG #9645 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(1031); CH2OH(26), CH3OH(25); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +CH2OH(26)+C2H3O3(1100)<=>CH3OH(25)+C2H2O3(1031) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3356; RMG #9710 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); CH2CHO(45), CH2CHOH(48); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +! Multiplied by reaction path degeneracy 2.0 +CH2CHO(45)+C2H3O3(1100)<=>C2H2O3(977)+CH2CHOH(48) 3.620000e+13 0.000 0.000 + +! Reaction index: Chemkin #3357; RMG #9711 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); C2H3O(1084), CH2CHOH(48); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +C2H3O(1084)+C2H3O3(1100)<=>C2H2O3(977)+CH2CHOH(48) 6.020000e+13 0.000 0.000 + +! Reaction index: Chemkin #3358; RMG #9712 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); CHCHOH(55), CH2CHOH(48); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +CHCHOH(55)+C2H3O3(1100)<=>C2H2O3(977)+CH2CHOH(48) 6.020000e+13 0.000 0.000 + +! Reaction index: Chemkin #3359; RMG #9728 +! Template reaction: Disproportionation +! Flux pairs: C2H3O3(1100), C2H2O3(977); C2H3(32), C2H4(24); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +! Multiplied by reaction path degeneracy 2.0 +C2H3(32)+C2H3O3(1100)<=>C2H2O3(977)+C2H4(24) 6.020000e+13 0.000 0.000 + +! Reaction index: Chemkin #3360; RMG #10033 +! PDep reaction: PDepNetwork #397 +! Flux pairs: CH2CHO(45), OCH2CHO(510); OH(3), H(5); +OH(3)+CH2CHO(45)(+M)<=>H(5)+OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.549e+00 -3.493e-01 -1.300e-01 -1.626e-02 / + CHEB/ 7.540e+00 3.961e-01 1.277e-01 2.502e-03 / + CHEB/ 1.466e-01 -1.104e-02 2.040e-02 1.716e-02 / + CHEB/ -4.304e-03 -3.617e-02 -1.496e-02 -3.945e-04 / + CHEB/ -2.627e-02 -9.831e-03 -8.305e-03 -4.285e-03 / + CHEB/ -2.033e-02 3.640e-04 -8.915e-04 -1.384e-03 / + +! Reaction index: Chemkin #3361; RMG #10035 +! PDep reaction: PDepNetwork #397 +! Flux pairs: CH2CHO(45), C2H3O2(1046); OH(3), H(5); +OH(3)+CH2CHO(45)(+M)<=>H(5)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.022e+01 -7.705e-01 -1.105e-01 1.049e-02 / + CHEB/ 1.863e+00 7.443e-01 2.767e-02 -2.938e-02 / + CHEB/ 3.263e-01 1.101e-01 8.197e-02 -4.617e-04 / + CHEB/ -9.318e-03 -6.156e-02 1.527e-02 1.585e-02 / + CHEB/ -3.585e-02 -4.378e-02 -1.732e-02 4.624e-03 / + CHEB/ -1.885e-02 -1.107e-02 -1.204e-02 -3.799e-03 / + +! Reaction index: Chemkin #3362; RMG #10036 +! PDep reaction: PDepNetwork #397 +! Flux pairs: CH2CHO(45), C2H3O2(1042); OH(3), H(5); +OH(3)+CH2CHO(45)(+M)<=>H(5)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.550e+00 -7.385e-01 -1.150e-01 1.015e-02 / + CHEB/ 1.201e+00 7.316e-01 3.916e-02 -3.049e-02 / + CHEB/ 3.547e-02 8.903e-02 8.093e-02 3.016e-03 / + CHEB/ -1.126e-01 -6.371e-02 9.533e-03 1.592e-02 / + CHEB/ -7.349e-02 -3.964e-02 -1.837e-02 2.800e-03 / + CHEB/ -3.386e-02 -8.594e-03 -1.066e-02 -4.336e-03 / + +! Reaction index: Chemkin #3363; RMG #10048 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), C2H3O3(1100); C2H2O3(1031), C2H3O3(1100); +H(5)+C2H2O3(1031)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.005e+00 1.461e+00 -2.653e-02 -9.541e-03 / + CHEB/ 2.710e+00 4.040e-02 9.545e-03 1.434e-03 / + CHEB/ -4.704e-02 -1.500e-02 1.565e-03 2.630e-03 / + CHEB/ -1.155e-02 8.410e-03 -5.980e-04 -9.603e-04 / + CHEB/ 4.259e-02 -6.340e-03 -1.075e-03 -1.489e-04 / + CHEB/ 1.353e-02 8.902e-04 -3.547e-04 -1.874e-04 / + +! Reaction index: Chemkin #3364; RMG #10053 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), C2H3O2(1046); H(5), O(16); +H(5)+C2H2O3(1031)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.022e+01 -1.001e-01 -5.478e-02 -2.036e-02 / + CHEB/ 1.783e+01 1.174e-01 6.149e-02 2.043e-02 / + CHEB/ 3.686e-01 -3.077e-02 -1.368e-02 -2.425e-03 / + CHEB/ 1.216e-01 -7.220e-05 -1.544e-03 -1.744e-03 / + CHEB/ 3.146e-02 -1.025e-03 -3.201e-04 1.340e-05 / + CHEB/ 1.651e-03 1.475e-03 8.483e-04 3.644e-04 / + +! Reaction index: Chemkin #3365; RMG #10057 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), C2H3O2(1042); H(5), O(16); +H(5)+C2H2O3(1031)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.675e+01 -3.388e-02 -2.038e-02 -9.224e-03 / + CHEB/ 2.049e+01 3.454e-02 2.060e-02 9.163e-03 / + CHEB/ 1.040e+00 -2.945e-03 -1.604e-03 -5.780e-04 / + CHEB/ 5.421e-01 -6.382e-04 -4.323e-04 -2.358e-04 / + CHEB/ 2.081e-01 -2.058e-03 -1.223e-03 -5.416e-04 / + CHEB/ 8.389e-02 -2.797e-05 -2.978e-05 -2.512e-05 / + +! Reaction index: Chemkin #3366; RMG #10059 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), C2H3O2(1046); H(5), O-2(1040); +H(5)+C2H2O3(1031)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.880e+01 -4.012e-02 -2.376e-02 -1.042e-02 / + CHEB/ 3.163e+01 4.402e-02 2.559e-02 1.078e-02 / + CHEB/ 2.839e-02 -1.260e-02 -6.975e-03 -2.616e-03 / + CHEB/ -3.780e-02 2.962e-04 -7.968e-05 -2.602e-04 / + CHEB/ -3.409e-02 -9.078e-04 -4.841e-04 -1.680e-04 / + CHEB/ -2.544e-02 4.271e-04 2.490e-04 1.067e-04 / + +! Reaction index: Chemkin #3367; RMG #10060 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), OC1[CH]O1(1140); H(5), O(16); +H(5)+C2H2O3(1031)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.100e+01 -5.902e-02 -3.416e-02 -1.429e-02 / + CHEB/ 2.616e+01 6.689e-02 3.769e-02 1.484e-02 / + CHEB/ 1.978e-01 -1.895e-02 -9.873e-03 -3.162e-03 / + CHEB/ 4.909e-02 4.488e-04 -3.062e-04 -6.106e-04 / + CHEB/ 1.627e-02 -1.063e-03 -5.014e-04 -1.232e-04 / + CHEB/ 1.992e-03 6.834e-04 3.940e-04 1.672e-04 / + +! Reaction index: Chemkin #3368; RMG #10063 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), CH2OCHO(97); H(5), O(16); +H(5)+C2H2O3(1031)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.772e+01 -9.351e-02 -5.221e-02 -2.029e-02 / + CHEB/ 2.052e+01 1.074e-01 5.763e-02 2.033e-02 / + CHEB/ 5.702e-01 -2.845e-02 -1.332e-02 -2.991e-03 / + CHEB/ 1.957e-01 -4.395e-05 -1.272e-03 -1.487e-03 / + CHEB/ 6.893e-02 -1.175e-03 -4.455e-04 -4.512e-05 / + CHEB/ 1.494e-02 1.195e-03 6.856e-04 2.932e-04 / + +! Reaction index: Chemkin #3369; RMG #10064 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), C2H3O2(1088); H(5), O(16); +H(5)+C2H2O3(1031)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.738e+00 -9.270e-02 -5.044e-02 -1.843e-02 / + CHEB/ 1.568e+01 1.061e-01 5.653e-02 1.961e-02 / + CHEB/ 1.120e+00 -3.064e-03 1.086e-04 1.529e-03 / + CHEB/ 5.302e-01 -5.692e-03 -3.547e-03 -1.637e-03 / + CHEB/ 2.021e-01 -7.895e-03 -4.363e-03 -1.665e-03 / + CHEB/ 6.886e-02 -3.730e-04 -3.630e-04 -2.740e-04 / + +! Reaction index: Chemkin #3370; RMG #10088 +! PDep reaction: PDepNetwork #408 +! Flux pairs: C2H3O2(1046), OCH2CHO(510); H(5), H(5); +H(5)+C2H3O2(1046)(+M)<=>H(5)+OCH2CHO(510)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.782e+00 -3.413e-01 -1.274e-01 -1.611e-02 / + CHEB/ 8.061e+00 3.947e-01 1.288e-01 3.625e-03 / + CHEB/ -3.896e-02 -1.631e-02 1.812e-02 1.690e-02 / + CHEB/ -5.889e-02 -3.757e-02 -1.619e-02 -1.080e-03 / + CHEB/ -4.687e-02 -8.785e-03 -8.011e-03 -4.430e-03 / + CHEB/ -2.930e-02 1.335e-03 -3.259e-04 -1.188e-03 / + +! Reaction index: Chemkin #3371; RMG #10090 +! PDep reaction: PDepNetwork #408 +! Flux pairs: C2H3O2(1046), C2H3O2(1042); H(5), H(5); +H(5)+C2H3O2(1046)(+M)<=>H(5)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.534e+00 -7.255e-01 -1.109e-01 1.010e-02 / + CHEB/ 1.751e+00 7.437e-01 4.341e-02 -2.910e-02 / + CHEB/ -1.031e-01 7.659e-02 8.105e-02 4.549e-03 / + CHEB/ -1.586e-01 -7.376e-02 5.586e-03 1.598e-02 / + CHEB/ -9.012e-02 -3.971e-02 -2.080e-02 1.574e-03 / + CHEB/ -4.010e-02 -5.410e-03 -1.019e-02 -5.080e-03 / + +! Reaction index: Chemkin #3372; RMG #10103 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), C2H3(32); CH2(21), O(16); +HCO(13)+CH2(21)(+M)<=>O(16)+C2H3(32)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.391e+00 -1.084e-04 -6.691e-05 -3.187e-05 / + CHEB/ 1.233e+01 -2.002e-04 -1.236e-04 -5.884e-05 / + CHEB/ 8.681e-01 -1.598e-04 -9.862e-05 -4.696e-05 / + CHEB/ 2.230e-01 -1.119e-04 -6.908e-05 -3.289e-05 / + CHEB/ 3.380e-02 -6.904e-05 -4.260e-05 -2.027e-05 / + CHEB/ -3.052e-02 -3.671e-05 -2.264e-05 -1.077e-05 / + +! Reaction index: Chemkin #3373; RMG #10105 +! PDep reaction: PDepNetwork #422 +! Flux pairs: HCO(13), C2H2O(1085); CH2(21), H(5); +HCO(13)+CH2(21)(+M)<=>H(5)+C2H2O(1085)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.759e-01 -1.133e-01 -3.677e-02 -6.923e-03 / + CHEB/ 8.076e+00 -1.839e-01 -5.390e-02 -7.768e-03 / + CHEB/ 1.276e-01 -9.271e-02 -1.479e-02 2.752e-03 / + CHEB/ -3.383e-01 -1.072e-02 1.474e-02 7.859e-03 / + CHEB/ -2.709e-01 3.160e-02 2.279e-02 5.603e-03 / + CHEB/ -1.453e-01 3.711e-02 1.515e-02 2.450e-04 / + +! Reaction index: Chemkin #3374; RMG #10277 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), H(5); O[C]1OC1O(1125), C2H2O3(977); +O[C]1OC1O(1125)(+M)<=>H(5)+C2H2O3(977)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.708e+00 -1.998e-01 -1.341e-01 -4.692e-03 / + CHEB/ 5.235e+00 1.173e+00 1.215e-02 -1.489e-02 / + CHEB/ 1.715e-01 2.448e-01 1.727e-02 5.653e-03 / + CHEB/ -6.905e-02 5.361e-02 -2.036e-03 -2.368e-03 / + CHEB/ -1.498e-01 1.111e-02 1.114e-02 -3.024e-03 / + CHEB/ -1.103e-01 -1.715e-02 1.010e-02 1.594e-03 / + +! Reaction index: Chemkin #3375; RMG #10284 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), HCO(13); O[C]1OC1O(1125), FA(1); +O[C]1OC1O(1125)(+M)<=>HCO(13)+FA(1)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.890e+00 -8.712e-01 -3.238e-01 -4.024e-03 / + CHEB/ 8.709e+00 2.196e+00 2.273e-01 -1.334e-02 / + CHEB/ 6.711e-01 4.749e-03 -2.666e-02 -7.745e-03 / + CHEB/ -1.781e-02 -6.379e-02 -2.170e-03 1.233e-02 / + CHEB/ -1.434e-01 8.439e-03 4.444e-02 8.989e-03 / + CHEB/ -9.192e-02 1.083e-02 1.566e-02 -3.335e-03 / + +! Reaction index: Chemkin #3376; RMG #10280 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), CO2(9); O[C]1OC1O(1125), CH2OH(26); +O[C]1OC1O(1125)(+M)<=>CO2(9)+CH2OH(26)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.234e+00 -9.097e-02 -1.568e-01 -8.629e-03 / + CHEB/ 6.101e+00 1.074e+00 3.332e-02 -9.898e-03 / + CHEB/ 2.312e-01 2.104e-01 7.136e-03 5.472e-03 / + CHEB/ -5.474e-02 6.189e-02 -2.345e-04 -5.661e-03 / + CHEB/ -1.369e-01 5.014e-03 1.577e-02 -2.469e-03 / + CHEB/ -1.004e-01 -2.092e-02 9.155e-03 2.808e-03 / + +! Reaction index: Chemkin #3377; RMG #10269 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), C2H3O3(1043); +O[C]1OC1O(1125)(+M)<=>C2H3O3(1043)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.911e+00 1.435e+00 -1.562e-01 -8.653e-03 / + CHEB/ 5.495e+00 1.080e+00 3.427e-02 -9.846e-03 / + CHEB/ 1.562e-01 2.128e-01 7.746e-03 5.441e-03 / + CHEB/ -6.211e-02 6.214e-02 2.649e-04 -5.671e-03 / + CHEB/ -1.346e-01 4.396e-03 1.599e-02 -2.397e-03 / + CHEB/ -9.919e-02 -2.150e-02 9.108e-03 2.865e-03 / + +! Reaction index: Chemkin #3378; RMG #7819 +! PDep reaction: PDepNetwork #306 +! Flux pairs: OH(3), O[C]1OC1O(1125); C2H2O2(1070), O[C]1OC1O(1125); +OH(3)+C2H2O2(1070)(+M)<=>O[C]1OC1O(1125)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.570e+00 1.010e+00 -1.828e-01 -3.019e-02 / + CHEB/ 1.236e+01 5.637e-01 1.728e-01 1.335e-02 / + CHEB/ 7.975e-01 -4.558e-02 8.042e-03 1.038e-02 / + CHEB/ 2.453e-01 -5.111e-02 -2.037e-02 -2.042e-03 / + CHEB/ 5.426e-03 -1.685e-02 -1.021e-02 -3.745e-03 / + CHEB/ -6.048e-02 6.463e-03 4.575e-04 -1.342e-03 / + +! Reaction index: Chemkin #3379; RMG #7829 +! PDep reaction: PDepNetwork #311 +! Flux pairs: OH(3), O[C]1OC1O(1125); C2H2O2(1030), O[C]1OC1O(1125); +OH(3)+C2H2O2(1030)(+M)<=>O[C]1OC1O(1125)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 6.165e+00 6.104e-01 -1.793e-01 -3.728e-03 / + CHEB/ 1.418e+00 6.774e-01 6.047e-02 -1.648e-02 / + CHEB/ 3.684e-01 1.398e-01 4.266e-02 -9.001e-03 / + CHEB/ 4.060e-02 2.193e-03 1.777e-02 5.553e-03 / + CHEB/ -6.449e-02 -3.152e-02 2.555e-03 5.607e-03 / + CHEB/ -6.222e-02 -1.919e-02 -5.394e-03 1.494e-03 / + +! Reaction index: Chemkin #3380; RMG #10258 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), C2H3O3(1066); +O[C]1OC1O(1125)(+M)<=>C2H3O3(1066)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.139e+00 8.334e-01 -1.122e-01 1.249e-03 / + CHEB/ 3.037e+00 8.574e-01 -1.717e-02 -1.852e-02 / + CHEB/ -4.667e-01 2.367e-01 2.403e-02 7.052e-04 / + CHEB/ -1.888e-01 6.509e-02 -2.366e-04 3.708e-03 / + CHEB/ -1.088e-01 3.631e-02 -2.105e-03 -4.518e-04 / + CHEB/ -7.490e-02 1.945e-02 2.628e-03 -6.780e-04 / + +! Reaction index: Chemkin #3381; RMG #10282 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), H2O(17); O[C]1OC1O(1125), OCHCO(63); +O[C]1OC1O(1125)(+M)<=>H2O(17)+OCHCO(63)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.703e+00 3.143e-01 -2.321e-01 -2.766e-02 / + CHEB/ 1.015e+01 8.987e-01 1.074e-01 1.452e-02 / + CHEB/ 2.623e-01 1.465e-01 1.894e-02 -1.429e-02 / + CHEB/ -4.029e-02 6.703e-03 1.696e-02 -1.691e-03 / + CHEB/ -1.053e-01 -3.138e-02 6.913e-03 4.981e-03 / + CHEB/ -8.352e-02 -1.991e-02 -1.686e-03 3.220e-03 / + +! Reaction index: Chemkin #3382; RMG #10286 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), CO(8); O[C]1OC1O(1125), O[CH]O(970); +O[C]1OC1O(1125)(+M)<=>CO(8)+O[CH]O(970)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.637e-01 -1.474e+00 -3.171e-01 -4.759e-03 / + CHEB/ 7.171e+00 2.114e+00 1.288e-01 -3.849e-02 / + CHEB/ 2.691e-01 2.392e-01 5.606e-02 1.828e-02 / + CHEB/ -1.134e-01 -2.756e-03 -1.869e-02 5.343e-03 / + CHEB/ -1.796e-01 7.619e-04 -5.367e-03 -2.958e-03 / + CHEB/ -1.090e-01 6.426e-03 4.499e-03 -1.472e-03 / + +! Reaction index: Chemkin #3383; RMG #10281 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), CO(8); O[C]1OC1O(1125), HOCH2O(38); +O[C]1OC1O(1125)(+M)<=>CO(8)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.992e+01 1.472e+00 -2.767e-02 -1.185e-02 / + CHEB/ 2.019e+01 4.690e-02 2.555e-02 1.053e-02 / + CHEB/ 1.758e+00 -1.381e-02 -7.407e-03 -3.089e-03 / + CHEB/ 2.744e-01 5.656e-03 3.183e-03 1.355e-03 / + CHEB/ -1.056e-01 3.618e-03 2.475e-03 1.292e-03 / + CHEB/ -2.502e-03 1.775e-03 9.220e-04 3.742e-04 / + +! Reaction index: Chemkin #3384; RMG #8388 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OH(3), O[C]1OC1O(1125); OCHCHO(52), O[C]1OC1O(1125); +OH(3)+OCHCHO(52)(+M)<=>O[C]1OC1O(1125)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.847e+00 9.331e-01 -1.721e-01 -7.499e-03 / + CHEB/ 1.047e+01 5.917e-01 1.441e-01 -6.948e-03 / + CHEB/ 1.038e+00 6.009e-03 1.634e-02 -5.695e-04 / + CHEB/ 2.696e-01 -1.733e-02 2.873e-03 8.066e-03 / + CHEB/ 7.102e-02 -8.820e-03 3.315e-03 5.369e-03 / + CHEB/ 1.825e-02 1.241e-03 -6.834e-04 -3.959e-05 / + +! Reaction index: Chemkin #3385; RMG #10271 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), C2H3O3(1032); +O[C]1OC1O(1125)(+M)<=>C2H3O3(1032)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.638e-01 -2.469e-01 -3.149e-01 1.083e-03 / + CHEB/ 5.884e+00 2.030e+00 1.119e-01 -4.482e-02 / + CHEB/ 1.558e-01 2.747e-01 6.277e-02 1.542e-02 / + CHEB/ -6.320e-02 1.784e-03 -1.722e-02 7.104e-03 / + CHEB/ -1.175e-01 1.140e-03 -8.632e-03 -2.213e-03 / + CHEB/ -9.218e-02 1.204e-02 1.482e-03 -1.768e-03 / + +! Reaction index: Chemkin #3386; RMG #10270 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), C2H3O3(1012); +O[C]1OC1O(1125)(+M)<=>C2H3O3(1012)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.273e+00 5.816e-01 -3.330e-01 -7.837e-03 / + CHEB/ 8.561e+00 2.211e+00 2.155e-01 -1.875e-02 / + CHEB/ 7.337e-01 1.552e-02 -2.825e-02 -8.920e-03 / + CHEB/ -1.121e-01 -6.950e-02 -5.681e-03 1.346e-02 / + CHEB/ -2.362e-01 6.163e-03 4.581e-02 1.184e-02 / + CHEB/ -1.426e-01 1.168e-02 1.878e-02 -2.512e-03 / + +! Reaction index: Chemkin #3387; RMG #10291 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), CO2(9); O[C]1OC1O(1125), CH3O(27); +O[C]1OC1O(1125)(+M)<=>CO2(9)+CH3O(27)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.300e+01 1.155e+00 -1.599e-01 -3.539e-02 / + CHEB/ 1.638e+01 3.055e-01 1.172e-01 1.450e-02 / + CHEB/ 2.147e-01 3.089e-02 2.151e-02 8.838e-03 / + CHEB/ -6.122e-03 -6.211e-03 -1.378e-03 1.251e-03 / + CHEB/ -7.005e-02 -1.903e-02 -7.022e-03 -4.596e-04 / + CHEB/ -7.182e-02 -6.094e-03 -3.463e-03 -1.184e-03 / + +! Reaction index: Chemkin #3388; RMG #10290 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), H(5); O[C]1OC1O(1125), C2H2O3(976); +O[C]1OC1O(1125)(+M)<=>H(5)+C2H2O3(976)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -6.570e+00 -1.351e-01 -2.133e-01 1.970e-02 / + CHEB/ 1.048e+01 2.051e+00 2.902e-01 -6.489e-03 / + CHEB/ 1.029e+00 -3.127e-01 -1.119e-01 -3.066e-02 / + CHEB/ -1.183e-02 -1.179e-01 6.281e-03 3.892e-03 / + CHEB/ -6.395e-02 6.976e-04 2.758e-02 9.513e-03 / + CHEB/ -4.802e-02 1.814e-02 -3.740e-04 3.549e-03 / + +! Reaction index: Chemkin #3389; RMG #10272 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), C2H3O3(1011); +O[C]1OC1O(1125)(+M)<=>C2H3O3(1011)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.785e+00 8.681e-01 -2.951e-01 6.245e-03 / + CHEB/ 8.676e+00 2.365e+00 3.471e-01 1.769e-02 / + CHEB/ 9.765e-01 -1.142e-01 -8.220e-02 -3.269e-02 / + CHEB/ 8.324e-02 -1.107e-01 -2.261e-02 -4.492e-03 / + CHEB/ -6.441e-02 -2.618e-02 2.978e-02 5.110e-03 / + CHEB/ -9.149e-02 9.571e-03 1.365e-02 2.307e-03 / + +! Reaction index: Chemkin #3390; RMG #10273 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), HOCH2OCO(96); +O[C]1OC1O(1125)(+M)<=>HOCH2OCO(96)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.053e+01 3.470e-01 -2.498e-01 2.008e-02 / + CHEB/ 1.055e+01 2.557e+00 2.086e-01 -1.604e-02 / + CHEB/ 7.631e-01 -2.039e-02 -1.226e-01 -3.931e-02 / + CHEB/ -7.686e-02 -3.486e-02 2.893e-02 -2.904e-03 / + CHEB/ -4.047e-02 -1.923e-02 4.102e-02 8.699e-03 / + CHEB/ -5.425e-03 -1.597e-02 2.692e-03 4.263e-03 / + +! Reaction index: Chemkin #3391; RMG #10274 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), OCH2OCHO(93); +O[C]1OC1O(1125)(+M)<=>OCH2OCHO(93)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.260e+01 9.798e-01 -2.846e-01 8.583e-03 / + CHEB/ 1.007e+01 2.325e+00 3.499e-01 1.384e-02 / + CHEB/ 1.224e+00 -1.734e-01 -9.747e-02 -3.511e-02 / + CHEB/ 2.190e-01 -1.145e-01 -1.480e-02 -1.985e-03 / + CHEB/ 4.171e-02 -2.408e-02 2.987e-02 5.343e-03 / + CHEB/ -1.163e-02 1.071e-02 1.014e-02 3.631e-03 / + +! Reaction index: Chemkin #3392; RMG #9189 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), O[C]1OC1O(1125); +[O]C1OC1O(1092)(+M)<=>O[C]1OC1O(1125)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.680e+00 9.493e-01 -2.479e-01 1.908e-02 / + CHEB/ 8.004e+00 2.298e+00 2.980e-01 2.195e-03 / + CHEB/ 9.039e-01 -7.555e-02 -6.457e-02 -3.008e-02 / + CHEB/ 4.538e-02 -1.462e-01 -3.451e-02 -4.604e-03 / + CHEB/ -1.030e-01 -2.540e-02 3.368e-02 7.471e-03 / + CHEB/ -5.127e-02 9.413e-03 1.422e-02 2.274e-03 / + +! Reaction index: Chemkin #3393; RMG #10294 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), HOCO(10); O[C]1OC1O(1125), CH2O(12); +O[C]1OC1O(1125)(+M)<=>HOCO(10)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.378e+00 -7.380e-01 -2.439e-01 -8.282e-03 / + CHEB/ 6.138e+00 1.497e+00 8.516e-02 -1.968e-02 / + CHEB/ 3.954e-02 1.602e-01 2.174e-02 1.298e-02 / + CHEB/ -1.395e-01 1.696e-02 -1.786e-02 -1.964e-03 / + CHEB/ -1.643e-01 1.001e-02 2.583e-03 -3.588e-03 / + CHEB/ -1.093e-01 -8.850e-04 8.225e-03 1.713e-05 / + +! Reaction index: Chemkin #3394; RMG #10275 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), C2H3O3(1029); +O[C]1OC1O(1125)(+M)<=>C2H3O3(1029)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.058e+00 3.823e-01 -2.182e-01 -3.384e-05 / + CHEB/ 4.669e+00 1.504e+00 5.282e-02 -2.827e-02 / + CHEB/ -6.321e-02 2.412e-01 3.780e-02 9.698e-03 / + CHEB/ -5.732e-02 1.849e-02 -1.267e-02 3.010e-03 / + CHEB/ -9.013e-02 1.464e-02 -4.355e-03 -1.801e-03 / + CHEB/ -9.584e-02 1.389e-02 3.375e-03 -5.211e-04 / + +! Reaction index: Chemkin #3395; RMG #10067 +! PDep reaction: PDepNetwork #402 +! Flux pairs: H(5), O[C]1OC1O(1125); C2H2O3(1031), O[C]1OC1O(1125); +H(5)+C2H2O3(1031)(+M)<=>O[C]1OC1O(1125)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.357e+00 6.018e-01 -2.004e-01 -1.073e-02 / + CHEB/ 4.103e+00 6.778e-01 7.352e-02 -1.258e-02 / + CHEB/ 2.526e-01 1.210e-01 4.423e-02 -8.197e-03 / + CHEB/ -3.824e-02 7.930e-03 1.425e-02 5.637e-03 / + CHEB/ -9.662e-02 -3.460e-02 1.214e-03 4.696e-03 / + CHEB/ -7.017e-02 -1.791e-02 -5.314e-03 1.369e-03 / + +! Reaction index: Chemkin #3396; RMG #10276 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), C2H3O3(1100); +O[C]1OC1O(1125)(+M)<=>C2H3O3(1100)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 2.341e+00 -3.385e-02 -1.826e-01 6.327e-03 / + CHEB/ 4.809e+00 1.289e+00 3.168e-02 -2.727e-02 / + CHEB/ -4.501e-02 3.121e-01 3.260e-02 3.715e-03 / + CHEB/ -1.126e-01 5.993e-02 -4.832e-03 2.734e-03 / + CHEB/ -1.304e-01 2.032e-02 -2.016e-03 -1.026e-03 / + CHEB/ -1.012e-01 1.392e-02 1.957e-03 -1.574e-04 / + +! Reaction index: Chemkin #3397; RMG #10226 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), O(16); C2H3O3(1100), C2H3O2(1042); +C2H3O3(1100)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.960e+01 1.486e+00 -2.106e-02 -9.538e-03 / + CHEB/ 3.646e+01 3.570e-02 2.133e-02 9.521e-03 / + CHEB/ 6.735e-01 -8.559e-04 -3.654e-04 -2.897e-05 / + CHEB/ 3.933e-01 3.426e-04 1.807e-04 5.960e-05 / + CHEB/ 2.400e-01 -1.998e-03 -1.183e-03 -5.185e-04 / + CHEB/ 1.251e-01 -3.096e-04 -1.992e-04 -1.020e-04 / + +! Reaction index: Chemkin #3398; RMG #10230 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), O(16); C2H3O3(1100), C2H3O2(1046); +C2H3O3(1100)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.456e+01 1.512e+00 -4.783e-03 -1.964e-03 / + CHEB/ 3.464e+01 -2.203e-04 -7.004e-04 -7.459e-04 / + CHEB/ 2.593e-01 -1.497e-03 -6.598e-04 -1.354e-04 / + CHEB/ 1.095e-01 1.115e-03 6.214e-04 2.621e-04 / + CHEB/ 8.543e-02 1.277e-03 7.945e-04 3.756e-04 / + CHEB/ 2.255e-02 8.116e-04 4.904e-04 2.251e-04 / + +! Reaction index: Chemkin #3399; RMG #10233 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), O-2(1040); C2H3O3(1100), C2H3O2(1046); +C2H3O3(1100)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.477e+01 1.515e+00 -3.126e-03 -1.414e-03 / + CHEB/ 4.900e+01 9.938e-04 4.907e-04 1.276e-04 / + CHEB/ 1.507e-01 -4.208e-04 -2.002e-04 -4.507e-05 / + CHEB/ 3.950e-02 -5.433e-05 -4.986e-05 -3.642e-05 / + CHEB/ 4.359e-02 2.217e-04 1.428e-04 7.264e-05 / + CHEB/ -1.367e-03 1.309e-04 7.979e-05 3.722e-05 / + +! Reaction index: Chemkin #3400; RMG #10234 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), O(16); C2H3O3(1100), OC1[CH]O1(1140); +C2H3O3(1100)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.642e+01 1.514e+00 -3.982e-03 -1.756e-03 / + CHEB/ 4.335e+01 1.026e-03 3.911e-04 -1.336e-05 / + CHEB/ 2.456e-01 -7.153e-04 -3.238e-04 -6.089e-05 / + CHEB/ 9.958e-02 5.118e-05 -1.797e-07 -2.210e-05 / + CHEB/ 8.899e-02 4.051e-04 2.597e-04 1.300e-04 / + CHEB/ 2.711e-02 2.471e-04 1.503e-04 7.007e-05 / + +! Reaction index: Chemkin #3401; RMG #10237 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), O(16); C2H3O3(1100), CH2OCHO(97); +C2H3O3(1100)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.235e+01 1.508e+00 -7.428e-03 -3.263e-03 / + CHEB/ 3.739e+01 3.362e-03 1.586e-03 3.877e-04 / + CHEB/ 4.841e-01 -1.825e-03 -9.047e-04 -2.742e-04 / + CHEB/ 1.957e-01 4.814e-04 2.411e-04 8.367e-05 / + CHEB/ 1.297e-01 8.428e-04 5.317e-04 2.565e-04 / + CHEB/ 3.969e-02 5.614e-04 3.403e-04 1.574e-04 / + +! Reaction index: Chemkin #3402; RMG #10238 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), O(16); C2H3O3(1100), C2H3O2(1088); +C2H3O3(1100)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.160e+01 1.413e+00 -5.819e-02 -2.114e-02 / + CHEB/ 3.134e+01 1.085e-01 5.716e-02 1.930e-02 / + CHEB/ 6.537e-01 6.555e-03 5.509e-03 3.624e-03 / + CHEB/ 3.689e-01 -4.843e-04 -4.282e-04 -2.436e-04 / + CHEB/ 2.444e-01 -7.865e-03 -4.174e-03 -1.442e-03 / + CHEB/ 1.152e-01 -2.064e-03 -1.318e-03 -6.491e-04 / + +! Reaction index: Chemkin #3403; RMG #10255 +! Template reaction: H_Abstraction +! Flux pairs: OOC(O)O(1086), [O]C(O)OO(975); OH(3), H2O(17); +! From training reaction 196 used for O/H/NonDeC;O_pri_rad +! Exact match found for rate rule [O/H/NonDeC;O_pri_rad] +! Euclidian distance = 0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+OOC(O)O(1086)<=>H2O(17)+[O]C(O)OO(975) 5.400000e+07 1.443 0.113 + +! Reaction index: Chemkin #3404; RMG #10314 +! PDep reaction: PDepNetwork #427 +! Flux pairs: C2H2O3(992), CO2(9); C2H2O3(992), CH2O(12); +C2H2O3(992)(+M)<=>CO2(9)+CH2O(12)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 7.333e+00 4.808e-01 -4.365e-02 6.976e-04 / + CHEB/ 3.035e+00 7.333e-01 -3.778e-02 -4.948e-03 / + CHEB/ -1.253e-01 3.094e-01 2.734e-02 -6.495e-03 / + CHEB/ -2.025e-01 3.202e-02 3.478e-02 7.059e-04 / + CHEB/ -6.919e-02 -4.215e-02 1.043e-02 4.261e-03 / + CHEB/ -1.232e-02 -2.719e-02 -4.048e-03 1.865e-03 / + +! Reaction index: Chemkin #3405; RMG #9913 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(992), C2HO3(1055); OH(3), H2O(17); +! Estimated using template [C/H2/OneDe;O_pri_rad] for rate rule [C/H2/OneDeO;O_pri_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+C2H2O3(992)<=>H2O(17)+C2HO3(1055) 1.257458e+02 3.312 -2.924 + +! Reaction index: Chemkin #3406; RMG #10279 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), O(16); O[C]1OC1O(1125), C2H3O2(1042); +O[C]1OC1O(1125)(+M)<=>O(16)+C2H3O2(1042)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.588e+01 1.482e+00 -2.351e-02 -1.071e-02 / + CHEB/ 2.573e+01 3.818e-02 2.287e-02 1.026e-02 / + CHEB/ 3.664e-01 -2.889e-03 -1.606e-03 -6.071e-04 / + CHEB/ 9.131e-02 -2.293e-04 -1.704e-04 -1.058e-04 / + CHEB/ -4.335e-02 -1.796e-03 -1.062e-03 -4.636e-04 / + CHEB/ -6.524e-02 -8.575e-05 -6.187e-05 -3.739e-05 / + +! Reaction index: Chemkin #3407; RMG #10283 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), O(16); O[C]1OC1O(1125), C2H3O2(1046); +O[C]1OC1O(1125)(+M)<=>O(16)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.553e+01 1.505e+00 -9.531e-03 -4.339e-03 / + CHEB/ 2.599e+01 9.083e-03 5.318e-03 2.283e-03 / + CHEB/ 8.268e-01 -4.980e-04 -2.044e-04 -1.133e-05 / + CHEB/ 3.258e-01 2.132e-03 1.270e-03 5.661e-04 / + CHEB/ 5.919e-02 1.085e-03 6.908e-04 3.468e-04 / + CHEB/ -1.961e-02 4.926e-04 2.957e-04 1.334e-04 / + +! Reaction index: Chemkin #3408; RMG #10288 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), O-2(1040); O[C]1OC1O(1125), C2H3O2(1046); +O[C]1OC1O(1125)(+M)<=>O-2(1040)+C2H3O2(1046)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -4.235e+01 1.517e+00 -2.115e-03 -1.005e-03 / + CHEB/ 3.897e+01 9.090e-04 5.603e-04 2.661e-04 / + CHEB/ 3.031e-01 7.426e-05 4.559e-05 2.147e-05 / + CHEB/ 1.360e-01 -1.455e-04 -8.955e-05 -4.237e-05 / + CHEB/ -4.569e-02 1.328e-04 8.185e-05 3.888e-05 / + CHEB/ -5.619e-02 4.356e-05 2.691e-05 1.283e-05 / + +! Reaction index: Chemkin #3409; RMG #10289 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), O(16); O[C]1OC1O(1125), OC1[CH]O1(1140); +O[C]1OC1O(1125)(+M)<=>O(16)+OC1[CH]O1(1140)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.448e+01 1.516e+00 -2.752e-03 -1.307e-03 / + CHEB/ 3.343e+01 1.700e-03 1.047e-03 4.964e-04 / + CHEB/ 4.126e-01 -1.267e-04 -7.761e-05 -3.643e-05 / + CHEB/ 1.951e-01 -1.936e-04 -1.192e-04 -5.652e-05 / + CHEB/ -3.373e-03 1.604e-04 9.887e-05 4.698e-05 / + CHEB/ -2.482e-02 5.326e-05 3.288e-05 1.566e-05 / + +! Reaction index: Chemkin #3410; RMG #10292 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), O(16); O[C]1OC1O(1125), CH2OCHO(97); +O[C]1OC1O(1125)(+M)<=>O(16)+CH2OCHO(97)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.110e+01 1.511e+00 -5.923e-03 -2.796e-03 / + CHEB/ 2.773e+01 6.504e-03 3.982e-03 1.871e-03 / + CHEB/ 7.290e-01 -1.426e-03 -8.744e-04 -4.113e-04 / + CHEB/ 3.061e-01 -2.951e-04 -1.825e-04 -8.759e-05 / + CHEB/ 3.128e-02 1.852e-04 1.159e-04 5.632e-05 / + CHEB/ -1.670e-02 1.132e-04 6.994e-05 3.348e-05 / + +! Reaction index: Chemkin #3411; RMG #10293 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), O(16); O[C]1OC1O(1125), C2H3O2(1088); +O[C]1OC1O(1125)(+M)<=>O(16)+C2H3O2(1088)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.844e+01 1.398e+00 -6.782e-02 -2.594e-02 / + CHEB/ 2.050e+01 1.120e-01 5.968e-02 2.076e-02 / + CHEB/ 2.345e-01 -1.484e-03 8.316e-04 1.652e-03 / + CHEB/ 8.503e-03 -2.413e-03 -1.560e-03 -7.303e-04 / + CHEB/ -6.030e-02 -7.051e-03 -3.732e-03 -1.278e-03 / + CHEB/ -7.216e-02 -1.091e-03 -7.429e-04 -3.983e-04 / + +! Reaction index: Chemkin #3412; RMG #10313 +! Template reaction: H_Abstraction +! Flux pairs: HOCH2O2H(71), O[CH]OO(1038); OH(3), H2O(17); +! Estimated using template [C/H2/NonDeO;O_pri_rad] for rate rule [C/H2/O2;O_pri_rad] +! Euclidian distance = 1.0 +! Multiplied by reaction path degeneracy 2.0 +! family: H_Abstraction +OH(3)+HOCH2O2H(71)<=>H2O(17)+O[CH]OO(1038) 4.500000e+02 3.110 -2.666 + +! Reaction index: Chemkin #3413; RMG #10315 +! PDep reaction: PDepNetwork #427 +! Flux pairs: C2H2O3(992), H(5); C2H2O3(992), C2HO3(1055); +C2H2O3(992)(+M)<=>H(5)+C2HO3(1055)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.347e+01 1.519e+00 -1.273e-03 -6.038e-04 / + CHEB/ 2.631e+01 2.513e-03 1.547e-03 7.330e-04 / + CHEB/ -2.312e-01 -4.088e-04 -2.507e-04 -1.178e-04 / + CHEB/ -5.602e-02 -1.954e-04 -1.207e-04 -5.751e-05 / + CHEB/ -3.871e-02 8.491e-05 5.218e-05 2.463e-05 / + CHEB/ -2.626e-02 4.896e-05 3.020e-05 1.436e-05 / + +! Reaction index: Chemkin #3414; RMG #610 +! Library reaction: CurranPentane +! Flux pairs: OCH2O2H(69), HOCH2O2(70); +OCH2O2H(69)<=>HOCH2O2(70) 3.000000e+11 0.000 8.600 + +! Reaction index: Chemkin #3415; RMG #611 +! Library reaction: CurranPentane +! Flux pairs: HOCH2O2(70), HOCH2O2H(71); HO2(4), O2(2); +HO2(4)+HOCH2O2(70)<=>O2(2)+HOCH2O2H(71) 3.500000e+10 0.000 -3.275 + +! Reaction index: Chemkin #3416; RMG #5151 +! Template reaction: intra_H_migration +! Flux pairs: HOCH2O2(70), O[CH]OO(1038); +! Matched reaction 269 CH3O3 <=> CH3O3-2 in intra_H_migration/training +! This reaction matched rate rule [R3H_SS_O;O_rad_out;Cs_H_out_H/NonDeO] +! family: intra_H_migration +HOCH2O2(70)<=>O[CH]OO(1038) 6.000000e+08 1.230 36.850 + +! Reaction index: Chemkin #3417; RMG #5152 +! PDep reaction: PDepNetwork #53 +! Flux pairs: HO2(4), HOCH2O2(70); CH2O(12), HOCH2O2(70); +HO2(4)+CH2O(12)(+M)<=>HOCH2O2(70)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.340e+00 3.200e-01 -2.417e-02 -1.724e-03 / + CHEB/ 4.225e+00 5.237e-01 -2.603e-02 -5.778e-03 / + CHEB/ -2.327e-01 2.901e-01 5.702e-03 -5.477e-03 / + CHEB/ -1.500e-01 1.033e-01 1.428e-02 -1.345e-03 / + CHEB/ -5.308e-02 1.690e-02 6.030e-03 1.363e-03 / + CHEB/ -3.922e-03 -3.242e-03 -1.676e-03 1.064e-03 / + +! Reaction index: Chemkin #3418; RMG #7461 +! PDep reaction: PDepNetwork #195 +! Flux pairs: O2(2), HOCH2O2(70); CH2OH(26), HOCH2O2(70); +O2(2)+CH2OH(26)(+M)<=>HOCH2O2(70)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.173e+01 5.081e-01 -7.614e-02 5.817e-03 / + CHEB/ -7.082e-01 6.436e-01 -3.309e-02 -1.333e-02 / + CHEB/ -3.872e-01 2.197e-01 3.338e-02 -8.595e-03 / + CHEB/ -1.326e-01 2.275e-02 2.406e-02 1.895e-03 / + CHEB/ -1.937e-02 -1.941e-02 4.156e-03 2.945e-03 / + CHEB/ 1.227e-02 -1.227e-02 -3.042e-03 5.832e-04 / + +! Reaction index: Chemkin #3419; RMG #8570 +! PDep reaction: PDepNetwork #343 +! Flux pairs: HOCH2O2H(71), H(5); HOCH2O2H(71), HOCH2O2(70); +HOCH2O2H(71)(+M)<=>H(5)+HOCH2O2(70)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.160e+01 3.685e-01 -7.055e-02 6.174e-03 / + CHEB/ 2.784e+01 5.637e-01 -7.111e-02 -7.595e-03 / + CHEB/ -3.272e-01 3.071e-01 1.906e-03 -1.587e-02 / + CHEB/ -1.756e-01 1.185e-01 2.967e-02 -9.061e-03 / + CHEB/ -9.366e-02 2.254e-02 2.565e-02 -5.462e-04 / + CHEB/ -3.577e-02 -8.337e-03 1.149e-02 3.584e-03 / + +! Reaction index: Chemkin #3420; RMG #9504 +! Template reaction: CO_Disproportionation +! Flux pairs: HOCH2O2(70), HOCH2O2H(71); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_N-5R!H->C_5BrClFINOPSSi->O_N-4CO->C +HCO(13)+HOCH2O2(70)<=>CO(8)+HOCH2O2H(71) 5.120000e+13 0.000 0.000 + +! Reaction index: Chemkin #3421; RMG #9509 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O2(70), HOCH2O2H(71); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+HOCH2O2(70)<=>CO2(9)+HOCH2O2H(71) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3422; RMG #9512 +! Template reaction: Disproportionation +! Flux pairs: HOCH2O2(70), HOCH2O2H(71); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+HOCH2O2(70)<=>CO2(9)+HOCH2O2H(71) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3423; RMG #10320 +! PDep reaction: PDepNetwork #428 +! Flux pairs: HOCH2O2(70), O(16); HOCH2O2(70), HOCH2O(38); +HOCH2O2(70)(+M)<=>O(16)+HOCH2O(38)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.087e+01 1.375e+00 -7.534e-02 -2.477e-02 / + CHEB/ 1.793e+01 1.588e-01 7.802e-02 2.198e-02 / + CHEB/ -1.873e-01 -1.166e-02 -1.565e-03 3.062e-03 / + CHEB/ 6.301e-03 -1.207e-02 -6.883e-03 -2.568e-03 / + CHEB/ 4.134e-02 -2.839e-03 -2.035e-03 -1.175e-03 / + CHEB/ 2.827e-02 1.332e-03 5.532e-04 2.909e-05 / + +! Reaction index: Chemkin #3424; RMG #5824 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1097), C2HO3(1015); OH(3), H2O(17); +! Estimated using template [C/H/OneDe;O_pri_rad] for rate rule [C/H/OO;O_pri_rad] +! Euclidian distance = 1.0 +! family: H_Abstraction +OH(3)+C2H2O3(1097)<=>H2O(17)+C2HO3(1015) 4.920000e+03 2.700 -4.033 + +! Reaction index: Chemkin #3425; RMG #6126 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1097), C2HO3(1028); OH(3), H2O(17); +! From training reaction 196 used for O/H/NonDeC;O_pri_rad +! Exact match found for rate rule [O/H/NonDeC;O_pri_rad] +! Euclidian distance = 0 +! family: H_Abstraction +OH(3)+C2H2O3(1097)<=>H2O(17)+C2HO3(1028) 2.700000e+07 1.443 0.113 + +! Reaction index: Chemkin #3426; RMG #6419 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1097), C2HO3(1015); H(5), H2(6); +! Estimated using template [C/H/OneDe;H_rad] for rate rule [C/H/OO;H_rad] +! Euclidian distance = 1.0 +! family: H_Abstraction +H(5)+C2H2O3(1097)<=>H2(6)+C2HO3(1015) 9.690750e-01 4.090 0.206 + +! Reaction index: Chemkin #3427; RMG #7529 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1097), C2HO3(1028); H(5), H2(6); +! From training reaction 192 used for O/H/NonDeC;H_rad +! Exact match found for rate rule [O/H/NonDeC;H_rad] +! Euclidian distance = 0 +! family: H_Abstraction +H(5)+C2H2O3(1097)<=>H2(6)+C2HO3(1028) 4.100000e+04 2.658 9.221 + +! Reaction index: Chemkin #3428; RMG #8867 +! PDep reaction: PDepNetwork #51 +! Flux pairs: FA(1), C2H2O3(1097); HCO(13), H(5); +HCO(13)+FA(1)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.225e+01 -8.154e-02 -4.632e-02 -1.864e-02 / + CHEB/ 1.741e+01 5.977e-02 3.357e-02 1.316e-02 / + CHEB/ 1.790e-01 -1.881e-02 -9.437e-03 -2.725e-03 / + CHEB/ 9.463e-02 1.821e-02 8.969e-03 2.411e-03 / + CHEB/ 3.533e-02 5.319e-03 3.016e-03 1.185e-03 / + CHEB/ 2.771e-02 4.082e-03 2.066e-03 6.270e-04 / + +! Reaction index: Chemkin #3429; RMG #8877 +! PDep reaction: PDepNetwork #80 +! Flux pairs: OCHCO(63), C2H2O3(1097); H2O(17), H(5); +H2O(17)+OCHCO(63)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.281e+01 -8.311e-01 -1.822e-01 -1.008e-02 / + CHEB/ 1.779e+01 7.963e-01 1.141e-01 -9.602e-03 / + CHEB/ 7.749e-01 4.980e-02 4.309e-02 -2.085e-03 / + CHEB/ 1.649e-01 -3.134e-02 9.733e-03 9.781e-03 / + CHEB/ 4.032e-02 -3.446e-02 -6.911e-03 3.700e-03 / + CHEB/ 2.299e-02 -1.039e-02 -7.162e-03 -1.043e-03 / + +! Reaction index: Chemkin #3430; RMG #8884 +! PDep reaction: PDepNetwork #82 +! Flux pairs: O[CH]O(970), C2H2O3(1097); CO(8), H(5); +CO(8)+O[CH]O(970)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.176e+01 -4.699e-01 -1.754e-01 -3.985e-02 / + CHEB/ 1.638e+01 4.310e-01 1.322e-01 1.271e-02 / + CHEB/ 5.270e-01 -3.163e-02 1.193e-02 1.656e-02 / + CHEB/ 2.173e-01 2.417e-03 -7.512e-03 -1.469e-03 / + CHEB/ 8.581e-02 6.404e-03 2.712e-03 -2.012e-03 / + CHEB/ 5.051e-02 8.970e-03 5.764e-03 8.579e-04 / + +! Reaction index: Chemkin #3431; RMG #8894 +! PDep reaction: PDepNetwork #101 +! Flux pairs: CO2(9), C2H2O3(1097); CH2OH(26), H(5); +CO2(9)+CH2OH(26)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.117e+01 -9.748e-01 -1.870e-01 -1.868e-02 / + CHEB/ 2.515e+01 9.941e-01 1.545e-01 1.558e-02 / + CHEB/ 1.233e+00 1.025e-01 3.956e-02 -7.570e-03 / + CHEB/ 4.809e-01 -6.381e-02 7.128e-03 5.772e-03 / + CHEB/ 1.715e-01 -7.042e-02 -1.152e-02 4.869e-03 / + CHEB/ 5.219e-02 -2.298e-02 -1.195e-02 -6.594e-04 / + +! Reaction index: Chemkin #3432; RMG #8913 +! PDep reaction: PDepNetwork #117 +! Flux pairs: CO2(9), C2H2O3(1097); CH3O(27), H(5); +CO2(9)+CH3O(27)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.520e+01 -3.195e-01 -1.416e-01 -3.253e-02 / + CHEB/ 2.801e+01 3.151e-01 1.268e-01 1.999e-02 / + CHEB/ 6.703e-01 1.310e-02 1.576e-02 9.510e-03 / + CHEB/ 1.811e-01 -1.517e-02 -6.100e-03 -1.725e-04 / + CHEB/ 5.395e-02 -1.760e-02 -7.646e-03 -1.529e-03 / + CHEB/ 2.137e-02 -2.503e-03 -2.214e-03 -1.279e-03 / + +! Reaction index: Chemkin #3433; RMG #8926 +! PDep reaction: PDepNetwork #128 +! Flux pairs: HOCH2O(38), C2H2O3(1097); CO(8), H(5); +CO(8)+HOCH2O(38)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.103e+01 -2.697e-02 -1.629e-02 -7.442e-03 / + CHEB/ 2.261e+01 2.443e-02 1.457e-02 6.492e-03 / + CHEB/ 1.832e+00 -9.585e-03 -5.602e-03 -2.381e-03 / + CHEB/ 4.071e-01 4.513e-03 2.613e-03 1.084e-03 / + CHEB/ -1.144e-02 2.630e-03 1.651e-03 8.083e-04 / + CHEB/ 4.802e-02 1.979e-03 1.192e-03 5.426e-04 / + +! Reaction index: Chemkin #3434; RMG #8942 +! PDep reaction: PDepNetwork #186 +! Flux pairs: C2H2O3(976), C2H2O3(1097); H(5), H(5); +H(5)+C2H2O3(976)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.292e+00 -6.234e-02 -3.560e-02 -1.451e-02 / + CHEB/ 1.095e+01 8.050e-02 4.493e-02 1.738e-02 / + CHEB/ 4.132e-01 -3.147e-02 -1.633e-02 -5.207e-03 / + CHEB/ 1.575e-01 9.601e-03 4.259e-03 6.886e-04 / + CHEB/ 8.988e-02 -3.402e-03 -1.460e-03 -1.989e-04 / + CHEB/ 3.988e-02 1.438e-03 7.290e-04 2.299e-04 / + +! Reaction index: Chemkin #3435; RMG #8960 +! PDep reaction: PDepNetwork #213 +! Flux pairs: C2H2O3(977), C2H2O3(1097); H(5), H(5); +H(5)+C2H2O3(977)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 9.917e-01 -9.209e-01 -1.550e-01 -6.305e-03 / + CHEB/ 1.063e+01 8.091e-01 6.790e-02 -8.716e-03 / + CHEB/ 2.383e-01 1.352e-01 4.958e-02 -8.030e-03 / + CHEB/ 1.201e-02 -2.528e-02 2.019e-02 7.832e-03 / + CHEB/ -2.096e-02 -4.380e-02 -1.776e-03 6.183e-03 / + CHEB/ 3.085e-04 -1.959e-02 -8.878e-03 4.747e-04 / + +! Reaction index: Chemkin #3436; RMG #8979 +! PDep reaction: PDepNetwork #237 +! Flux pairs: C2H3O3(1011), H(5); C2H3O3(1011), C2H2O3(1097); +C2H3O3(1011)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.416e+01 1.455e+00 -3.767e-02 -1.529e-02 / + CHEB/ 1.733e+01 8.211e-02 4.566e-02 1.751e-02 / + CHEB/ 9.611e-02 -3.198e-02 -1.645e-02 -5.121e-03 / + CHEB/ 9.896e-02 9.831e-03 4.305e-03 6.396e-04 / + CHEB/ 6.906e-02 -3.456e-03 -1.486e-03 -2.083e-04 / + CHEB/ -2.970e-03 1.731e-03 8.792e-04 2.788e-04 / + +! Reaction index: Chemkin #3437; RMG #8998 +! PDep reaction: PDepNetwork #239 +! Flux pairs: OCHCHO(52), C2H2O3(1097); OH(3), H(5); +OH(3)+OCHCHO(52)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.540e+00 -4.526e-02 -2.700e-02 -1.201e-02 / + CHEB/ 9.951e+00 2.248e-02 1.329e-02 5.808e-03 / + CHEB/ 8.298e-01 1.730e-03 1.182e-03 6.624e-04 / + CHEB/ 2.883e-01 9.174e-03 5.305e-03 2.210e-03 / + CHEB/ 1.284e-01 5.834e-03 3.414e-03 1.459e-03 / + CHEB/ 7.827e-02 2.241e-03 1.304e-03 5.514e-04 / + +! Reaction index: Chemkin #3438; RMG #9011 +! PDep reaction: PDepNetwork #255 +! Flux pairs: C2H3O3(1032), H(5); C2H3O3(1032), C2H2O3(1097); +C2H3O3(1032)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.663e+01 1.020e+00 -1.801e-01 -4.141e-02 / + CHEB/ 1.941e+01 4.158e-01 1.232e-01 1.192e-02 / + CHEB/ 2.788e-01 -3.122e-02 1.042e-02 1.653e-02 / + CHEB/ 1.907e-01 8.308e-03 -7.933e-03 -1.352e-03 / + CHEB/ 1.175e-01 1.066e-02 3.234e-03 -2.573e-03 / + CHEB/ 5.360e-02 1.111e-02 6.720e-03 3.824e-04 / + +! Reaction index: Chemkin #3439; RMG #9024 +! PDep reaction: PDepNetwork #266 +! Flux pairs: C2H3O3(1043), H(5); C2H3O3(1043), C2H2O3(1097); +C2H3O3(1043)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.599e+01 5.490e-01 -1.864e-01 -1.858e-02 / + CHEB/ 1.932e+01 9.949e-01 1.550e-01 1.560e-02 / + CHEB/ 9.923e-01 1.003e-01 3.943e-02 -7.462e-03 / + CHEB/ 3.901e-01 -6.572e-02 6.632e-03 5.841e-03 / + CHEB/ 1.369e-01 -7.081e-02 -1.189e-02 4.796e-03 / + CHEB/ 3.831e-02 -2.236e-02 -1.197e-02 -7.638e-04 / + +! Reaction index: Chemkin #3440; RMG #9043 +! PDep reaction: PDepNetwork #299 +! Flux pairs: HOCH2OCO(96), H(5); HOCH2OCO(96), C2H2O3(1097); +HOCH2OCO(96)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.585e+01 3.980e-01 -1.240e-01 -8.027e-03 / + CHEB/ 1.823e+01 7.131e-01 -2.162e-02 4.836e-04 / + CHEB/ 1.405e-01 2.322e-01 7.965e-03 -2.527e-02 / + CHEB/ 4.431e-02 5.741e-02 4.024e-02 -3.159e-03 / + CHEB/ 5.954e-02 -3.380e-02 1.677e-02 4.941e-03 / + CHEB/ 5.212e-02 -2.874e-02 8.781e-04 5.733e-03 / + +! Reaction index: Chemkin #3441; RMG #9062 +! PDep reaction: PDepNetwork #306 +! Flux pairs: C2H2O2(1070), C2H2O3(1097); OH(3), H(5); +OH(3)+C2H2O2(1070)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.343e+00 -4.508e-01 -1.658e-01 -2.940e-02 / + CHEB/ 1.347e+01 5.355e-01 1.736e-01 1.799e-02 / + CHEB/ 9.628e-01 -7.536e-02 -3.905e-03 9.143e-03 / + CHEB/ 2.929e-01 -4.798e-02 -2.253e-02 -4.120e-03 / + CHEB/ 4.357e-02 -8.758e-03 -7.513e-03 -3.846e-03 / + CHEB/ -2.141e-02 8.105e-03 2.144e-03 -6.272e-04 / + +! Reaction index: Chemkin #3442; RMG #9075 +! PDep reaction: PDepNetwork #310 +! Flux pairs: C2H2O2(1030), C2H2O3(1097); OH(3), H(5); +OH(3)+C2H2O2(1030)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 5.785e+00 -7.032e-01 -1.662e-01 -6.408e-03 / + CHEB/ 3.637e+00 6.795e-01 1.054e-01 -1.566e-02 / + CHEB/ 6.763e-01 5.245e-02 5.083e-02 5.267e-03 / + CHEB/ 1.308e-01 -3.567e-02 2.396e-03 9.251e-03 / + CHEB/ 2.223e-02 -3.214e-02 -8.976e-03 1.852e-03 / + CHEB/ 1.411e-02 -8.679e-03 -6.961e-03 -1.978e-03 / + +! Reaction index: Chemkin #3443; RMG #9088 +! PDep reaction: PDepNetwork #336 +! Flux pairs: C2H3O3(1066), H(5); C2H3O3(1066), C2H2O3(1097); +C2H3O3(1066)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.649e+01 4.360e-01 -1.711e-01 -7.999e-03 / + CHEB/ 2.307e+01 7.213e-01 3.376e-02 -4.470e-03 / + CHEB/ -2.292e-01 1.772e-01 2.682e-02 -1.448e-02 / + CHEB/ -1.091e-01 2.320e-02 2.236e-02 5.128e-04 / + CHEB/ -7.622e-03 -2.426e-02 9.912e-03 5.396e-03 / + CHEB/ 2.274e-02 -2.117e-02 -1.855e-03 3.047e-03 / + +! Reaction index: Chemkin #3444; RMG #9101 +! PDep reaction: PDepNetwork #342 +! Flux pairs: C2H3O3(1012), H(5); C2H3O3(1012), C2H2O3(1097); +C2H3O3(1012)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -7.140e+00 1.423e+00 -5.642e-02 -2.326e-02 / + CHEB/ 1.257e+01 3.357e-02 1.910e-02 7.646e-03 / + CHEB/ 1.437e-01 1.955e-03 1.779e-03 1.286e-03 / + CHEB/ -5.057e-02 2.133e-02 1.154e-02 4.133e-03 / + CHEB/ -6.176e-02 1.476e-02 8.070e-03 2.967e-03 / + CHEB/ -2.429e-02 6.359e-03 3.416e-03 1.206e-03 / + +! Reaction index: Chemkin #3445; RMG #9125 +! PDep reaction: PDepNetwork #363 +! Flux pairs: OCH2OCHO(93), H(5); OCH2OCHO(93), C2H2O3(1097); +OCH2OCHO(93)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.694e+01 1.446e+00 -4.307e-02 -1.784e-02 / + CHEB/ 1.762e+01 9.029e-02 5.067e-02 1.985e-02 / + CHEB/ 4.169e-01 -3.194e-02 -1.646e-02 -5.144e-03 / + CHEB/ 2.520e-01 8.679e-03 3.621e-03 3.365e-04 / + CHEB/ 1.682e-01 -3.909e-03 -1.764e-03 -3.382e-04 / + CHEB/ 7.114e-02 1.710e-03 8.717e-04 2.787e-04 / + +! Reaction index: Chemkin #3446; RMG #9188 +! PDep reaction: PDepNetwork #379 +! Flux pairs: [O]C1OC1O(1092), H(5); [O]C1OC1O(1092), C2H2O3(1097); +[O]C1OC1O(1092)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.353e+00 1.513e+00 -4.922e-03 -2.228e-03 / + CHEB/ 8.233e+00 2.909e-03 1.834e-03 9.036e-04 / + CHEB/ 1.872e-02 1.147e-03 6.976e-04 3.223e-04 / + CHEB/ 6.047e-02 4.886e-05 -3.948e-05 -7.553e-05 / + CHEB/ 1.667e-02 6.489e-04 3.325e-04 1.024e-04 / + CHEB/ 2.375e-02 1.931e-04 8.435e-05 1.181e-05 / + +! Reaction index: Chemkin #3447; RMG #9308 +! PDep reaction: PDepNetwork #85 +! Flux pairs: HOCO(10), C2H2O3(1097); CH2O(12), H(5); +HOCO(10)+CH2O(12)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -9.166e+00 -1.101e+00 -2.212e-01 -2.499e-02 / + CHEB/ 1.490e+01 8.957e-01 1.133e-01 9.930e-03 / + CHEB/ 3.867e-01 1.220e-01 2.732e-02 -1.353e-02 / + CHEB/ 4.172e-02 -1.091e-02 1.698e-02 1.993e-03 / + CHEB/ -1.162e-02 -3.728e-02 2.816e-03 5.760e-03 / + CHEB/ 1.577e-03 -1.877e-02 -4.709e-03 2.285e-03 / + +! Reaction index: Chemkin #3448; RMG #9442 +! PDep reaction: PDepNetwork #382 +! Flux pairs: C2H3O3(1029), H(5); C2H3O3(1029), C2H2O3(1097); +C2H3O3(1029)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.039e+01 3.396e-01 -2.309e-01 -2.661e-02 / + CHEB/ 1.614e+01 8.806e-01 1.070e-01 1.324e-02 / + CHEB/ 1.751e-01 1.471e-01 2.128e-02 -1.426e-02 / + CHEB/ 5.717e-02 6.932e-03 1.714e-02 -9.237e-04 / + CHEB/ 3.240e-02 -3.151e-02 6.655e-03 5.047e-03 / + CHEB/ 3.556e-03 -1.926e-02 -1.877e-03 3.126e-03 / + +! Reaction index: Chemkin #3449; RMG #10073 +! PDep reaction: PDepNetwork #402 +! Flux pairs: C2H2O3(1031), C2H2O3(1097); H(5), H(5); +H(5)+C2H2O3(1031)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 3.129e+00 -6.583e-01 -1.687e-01 -1.304e-02 / + CHEB/ 6.166e+00 6.141e-01 1.086e-01 -7.127e-03 / + CHEB/ 5.943e-01 6.728e-02 4.658e-02 2.777e-03 / + CHEB/ 8.419e-02 -3.087e-02 4.597e-03 8.940e-03 / + CHEB/ 5.144e-03 -3.136e-02 -8.109e-03 2.343e-03 / + CHEB/ 2.028e-02 -7.954e-03 -6.220e-03 -1.593e-03 / + +! Reaction index: Chemkin #3450; RMG #10245 +! PDep reaction: PDepNetwork #425 +! Flux pairs: C2H3O3(1100), H(5); C2H3O3(1100), C2H2O3(1097); +C2H3O3(1100)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -1.415e+01 3.056e-01 -2.165e-01 -2.272e-02 / + CHEB/ 1.951e+01 7.394e-01 5.683e-02 9.858e-03 / + CHEB/ 6.720e-02 1.759e-01 1.874e-02 -1.436e-02 / + CHEB/ -1.480e-02 3.017e-02 1.894e-02 -1.742e-03 / + CHEB/ 4.012e-03 -2.316e-02 9.020e-03 3.662e-03 / + CHEB/ 3.249e-03 -1.963e-02 5.261e-05 3.082e-03 / + +! Reaction index: Chemkin #3451; RMG #10259 +! PDep reaction: PDepNetwork #426 +! Flux pairs: O[C]1OC1O(1125), H(5); O[C]1OC1O(1125), C2H2O3(1097); +O[C]1OC1O(1125)(+M)<=>H(5)+C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.841e-01 1.395e+00 -6.540e-02 -2.272e-02 / + CHEB/ 8.723e+00 1.260e-01 6.321e-02 1.906e-02 / + CHEB/ 1.416e-01 -2.347e-02 -9.604e-03 -3.895e-04 / + CHEB/ 4.043e-02 -1.514e-03 -2.200e-03 -1.494e-03 / + CHEB/ -3.629e-02 6.212e-03 3.223e-03 9.113e-04 / + CHEB/ -4.980e-02 3.148e-03 2.043e-03 8.626e-04 / + +! Reaction index: Chemkin #3452; RMG #10311 +! Template reaction: H_Abstraction +! Flux pairs: C2H2O3(1097), C2HO3(1015); O(16), OH(3); +! Estimated using template [C_ter;O_atom_triplet] for rate rule [C/H/OO;O_atom_triplet] +! Euclidian distance = 2.0 +! family: H_Abstraction +O(16)+C2H2O3(1097)<=>OH(3)+C2HO3(1015) 3.830000e+05 2.410 14.800 + +! Reaction index: Chemkin #3453; RMG #10329 +! PDep reaction: PDepNetwork #300 +! Flux pairs: OH(3), C2H2O3(1097); C2HO2(1001), C2H2O3(1097); +OH(3)+C2HO2(1001)(+M)<=>C2H2O3(1097)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 1.372e+01 1.630e-01 -2.745e-02 8.515e-04 / + CHEB/ -3.160e-01 2.966e-01 -4.620e-02 3.054e-04 / + CHEB/ -2.539e-01 2.233e-01 -2.609e-02 -2.360e-03 / + CHEB/ -1.779e-01 1.384e-01 -6.344e-03 -3.757e-03 / + CHEB/ -1.100e-01 6.922e-02 5.132e-03 -3.023e-03 / + CHEB/ -6.093e-02 2.613e-02 7.813e-03 -1.189e-03 / + +! Reaction index: Chemkin #3454; RMG #10330 +! PDep reaction: PDepNetwork #300 +! Flux pairs: C2HO2(1001), C2H2O2(1030); OH(3), O-2(1040); +OH(3)+C2HO2(1001)(+M)<=>O-2(1040)+C2H2O2(1030)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.029e+01 -2.886e-03 -1.754e-03 -8.101e-04 / + CHEB/ 2.586e+01 -4.385e-03 -2.667e-03 -1.233e-03 / + CHEB/ 2.649e-01 -1.120e-03 -6.867e-04 -3.227e-04 / + CHEB/ -2.277e-01 2.021e-03 1.217e-03 5.511e-04 / + CHEB/ -1.903e-01 3.375e-03 2.036e-03 9.268e-04 / + CHEB/ -8.352e-02 2.620e-03 1.582e-03 7.206e-04 / + +! Reaction index: Chemkin #3455; RMG #10331 +! PDep reaction: PDepNetwork #300 +! Flux pairs: C2HO2(1001), C2HO3(1028); OH(3), H(5); +OH(3)+C2HO2(1001)(+M)<=>H(5)+C2HO3(1028)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 4.208e+00 -9.450e-01 -8.966e-02 9.562e-03 / + CHEB/ 6.717e+00 7.251e-01 -2.491e-02 -1.915e-02 / + CHEB/ 1.879e-01 2.467e-01 6.221e-02 -1.351e-02 / + CHEB/ 1.960e-03 1.822e-02 4.535e-02 6.123e-03 / + CHEB/ -1.670e-02 -3.414e-02 1.012e-02 1.005e-02 / + CHEB/ -1.134e-02 -2.485e-02 -5.668e-03 4.271e-03 / + +! Reaction index: Chemkin #3456; RMG #10332 +! PDep reaction: PDepNetwork #300 +! Flux pairs: C2HO2(1001), C2HO3(1015); OH(3), H(5); +OH(3)+C2HO2(1001)(+M)<=>H(5)+C2HO3(1015)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ 8.018e+00 -1.068e+00 -5.931e-02 2.654e-03 / + CHEB/ 4.370e+00 6.977e-01 -5.494e-02 -7.498e-03 / + CHEB/ 2.586e-01 3.276e-01 2.751e-02 -1.330e-02 / + CHEB/ -3.249e-02 7.073e-02 4.726e-02 -3.204e-03 / + CHEB/ -3.900e-02 -2.361e-02 2.493e-02 5.904e-03 / + CHEB/ -1.861e-02 -3.001e-02 2.730e-03 6.128e-03 / + +! Reaction index: Chemkin #3457; RMG #10336 +! Template reaction: Disproportionation +! Flux pairs: H(5), H2(6); O[C]1OC1O(1125), C2H2O3(1097); +! Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O +H(5)+O[C]1OC1O(1125)<=>H2(6)+C2H2O3(1097) 1.151490e+09 1.378 0.000 + +! Reaction index: Chemkin #3458; RMG #10337 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OC1O(1092), C2H2O3(1097); H(5), H2(6); +! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H +H(5)+[O]C1OC1O(1092)<=>H2(6)+C2H2O3(1097) 5.958460e+09 0.568 0.000 + +! Reaction index: Chemkin #3459; RMG #10338 +! Template reaction: CO_Disproportionation +! Flux pairs: C2HO3(1028), C2H2O3(1097); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO +HCO(13)+C2HO3(1028)<=>CO(8)+C2H2O3(1097) 6.230550e+13 -0.000 0.000 + +! Reaction index: Chemkin #3460; RMG #10339 +! Template reaction: CO_Disproportionation +! Flux pairs: C2HO3(1015), C2H2O3(1097); HCO(13), CO(8); +! Estimated from node Root_N-4R->N_N-4BrCClFHIOPSSi->H_Ext-4CO-R_5R!H->C_Sp-5C-4CO_4CO->C_Ext-5C-R +HCO(13)+C2HO3(1015)<=>CO(8)+C2H2O3(1097) 6.000000e+13 0.000 0.000 + +! Reaction index: Chemkin #3461; RMG #10340 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2H2O3(1097); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R +HOCO(10)+C2HO3(1028)<=>CO2(9)+C2H2O3(1097) 1.810000e+13 0.000 0.000 + +! Reaction index: Chemkin #3462; RMG #10341 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1015), C2H2O3(1097); HOCO(10), CO2(9); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R +HOCO(10)+C2HO3(1015)<=>CO2(9)+C2H2O3(1097) 2.855610e+13 -0.375 0.000 + +! Reaction index: Chemkin #3463; RMG #10342 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1028), C2H2O3(1097); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R +OCHO(11)+C2HO3(1028)<=>CO2(9)+C2H2O3(1097) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3464; RMG #10343 +! Template reaction: Disproportionation +! Flux pairs: C2HO3(1015), C2H2O3(1097); OCHO(11), CO2(9); +! Estimated from node Root_Ext-1R!H-R_N-4R->O +OCHO(11)+C2HO3(1015)<=>CO2(9)+C2H2O3(1097) 1.356420e+10 0.470 0.000 + +! Reaction index: Chemkin #3465; RMG #10344 +! Template reaction: Disproportionation +! Flux pairs: OH(3), H2O(17); O[C]1OC1O(1125), C2H2O3(1097); +! Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +OH(3)+O[C]1OC1O(1125)<=>H2O(17)+C2H2O3(1097) 2.410000e+13 0.000 0.000 + +! Reaction index: Chemkin #3466; RMG #10345 +! Template reaction: Disproportionation +! Flux pairs: [O]C1OC1O(1092), C2H2O3(1097); OH(3), H2O(17); +! Estimated from node Root_Ext-1R!H-R +OH(3)+[O]C1OC1O(1092)<=>H2O(17)+C2H2O3(1097) 9.445080e+09 0.509 0.000 + +! Reaction index: Chemkin #3467; RMG #10346 +! PDep reaction: PDepNetwork #429 +! Flux pairs: C2H2O3(1097), O-2(1040); C2H2O3(1097), C2H2O2(1030); +C2H2O3(1097)(+M)<=>O-2(1040)+C2H2O2(1030)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -5.711e+01 1.517e+00 -2.154e-03 -9.920e-04 / + CHEB/ 5.436e+01 -5.416e-03 -3.289e-03 -1.517e-03 / + CHEB/ -1.920e-01 -1.451e-03 -8.887e-04 -4.165e-04 / + CHEB/ -4.529e-01 2.382e-03 1.430e-03 6.446e-04 / + CHEB/ -2.895e-01 4.064e-03 2.447e-03 1.109e-03 / + CHEB/ -1.167e-01 3.187e-03 1.920e-03 8.710e-04 / + +! Reaction index: Chemkin #3468; RMG #10348 +! PDep reaction: PDepNetwork #429 +! Flux pairs: C2H2O3(1097), H(5); C2H2O3(1097), C2HO3(1028); +C2H2O3(1097)(+M)<=>H(5)+C2HO3(1028)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -3.060e+01 4.941e-01 -9.090e-02 1.048e-02 / + CHEB/ 3.444e+01 6.512e-01 -4.689e-02 -1.635e-02 / + CHEB/ -4.886e-01 2.718e-01 4.128e-02 -1.791e-02 / + CHEB/ -2.666e-01 6.742e-02 4.369e-02 -1.434e-03 / + CHEB/ -1.252e-01 -3.735e-03 2.005e-02 6.482e-03 / + CHEB/ -5.502e-02 -1.554e-02 3.470e-03 5.216e-03 / + +! Reaction index: Chemkin #3469; RMG #10349 +! PDep reaction: PDepNetwork #429 +! Flux pairs: C2H2O3(1097), H(5); C2H2O3(1097), C2HO3(1015); +C2H2O3(1097)(+M)<=>H(5)+C2HO3(1015)(+M) 1.000e+00 0.000 0.000 + TCHEB/ 300.000 2500.000 / + PCHEB/ 0.099 108.562 / + CHEB/ 6 4/ + CHEB/ -2.598e+01 3.324e-01 -5.431e-02 3.180e-03 / + CHEB/ 3.168e+01 5.476e-01 -6.847e-02 -2.928e-03 / + CHEB/ -4.442e-01 3.215e-01 -6.868e-03 -1.097e-02 / + CHEB/ -2.804e-01 1.328e-01 2.454e-02 -8.168e-03 / + CHEB/ -1.437e-01 3.106e-02 2.414e-02 -1.262e-03 / + CHEB/ -6.661e-02 -4.727e-03 1.223e-02 2.572e-03 / + +END + diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/chemkin/species_dictionary.txt b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/chemkin/species_dictionary.txt new file mode 100644 index 00000000..ebbad19c --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/chemkin/species_dictionary.txt @@ -0,0 +1,1170 @@ +N2 +1 N u0 p1 c0 {2,T} +2 N u0 p1 c0 {1,T} + +Ne +1 Ne u0 p4 c0 + +FA(1) +1 O u0 p2 c0 {3,S} {5,S} +2 O u0 p2 c0 {3,D} +3 C u0 p0 c0 {1,S} {2,D} {4,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {1,S} + +O2(2) +multiplicity 3 +1 O u1 p2 c0 {2,S} +2 O u1 p2 c0 {1,S} + +OH(3) +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 H u0 p0 c0 {1,S} + +HO2(4) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} + +H(5) +multiplicity 2 +1 H u1 p0 c0 + +H2(6) +1 H u0 p0 c0 {2,S} +2 H u0 p0 c0 {1,S} + +CH3(7) +multiplicity 2 +1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CO(8) +1 O u0 p1 c+1 {2,T} +2 C u0 p1 c-1 {1,T} + +CO2(9) +1 O u0 p2 c0 {3,D} +2 O u0 p2 c0 {3,D} +3 C u0 p0 c0 {1,D} {2,D} + +HOCO(10) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {3,D} +3 C u1 p0 c0 {1,S} {2,D} +4 H u0 p0 c0 {1,S} + +OCHO(11) +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 O u0 p2 c0 {3,D} +3 C u0 p0 c0 {1,S} {2,D} {4,S} +4 H u0 p0 c0 {3,S} + +CH2O(12) +1 O u0 p2 c0 {2,D} +2 C u0 p0 c0 {1,D} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} + +HCO(13) +multiplicity 2 +1 O u0 p2 c0 {2,D} +2 C u1 p0 c0 {1,D} {3,S} +3 H u0 p0 c0 {2,S} + +H2O(17) +1 O u0 p2 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +CHO4(985) +multiplicity 2 +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {4,S} {5,S} +3 O u0 p2 c0 {5,D} +4 O u1 p2 c0 {2,S} +5 C u0 p0 c0 {1,S} {2,S} {3,D} +6 H u0 p0 c0 {1,S} + +H2O2(18) +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +CH2O4(1005) +1 O u0 p2 c0 {3,S} {5,S} +2 O u0 p2 c0 {5,S} {6,S} +3 O u0 p2 c0 {1,S} {7,S} +4 O u0 p2 c0 {5,D} +5 C u0 p0 c0 {1,S} {2,S} {4,D} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +CHO3(986) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {2,S} {3,D} +5 H u0 p0 c0 {1,S} + +O(16) +multiplicity 3 +1 O u2 p2 c0 + +O2(983) +1 O u0 p2 c0 {2,D} +2 O u0 p2 c0 {1,D} + +OCHCO(63) +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,D} {4,S} {5,S} +4 C u1 p0 c0 {2,D} {3,S} +5 H u0 p0 c0 {3,S} + +C2HO3(991) +multiplicity 2 +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 C u1 p0 c0 {3,D} {4,S} +6 H u0 p0 c0 {1,S} + +CH2O3(1000) +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {4,S} {5,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {2,S} {3,D} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} + +CH4(20) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +O3(19) +1 O u0 p1 c+1 {2,S} {3,D} +2 O u0 p3 c-1 {1,S} +3 O u0 p2 c0 {1,D} + +O[CH]O(970) +multiplicity 2 +1 O u0 p2 c0 {3,S} {5,S} +2 O u0 p2 c0 {3,S} {6,S} +3 C u1 p0 c0 {1,S} {2,S} {4,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C2HO3(990) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {6,S} +5 C u1 p0 c0 {1,S} {3,D} +6 H u0 p0 c0 {4,S} + +O[C](O)O(1021) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {4,S} {7,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +CHO4(989) +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 O u0 p2 c0 {1,S} {6,S} +3 O u1 p2 c0 {5,S} +4 O u0 p2 c0 {5,D} +5 C u0 p0 c0 {1,S} {3,S} {4,D} +6 H u0 p0 c0 {2,S} + +HO2CHO(68) +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {6,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {3,D} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {2,S} + +CH2OH(26) +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} + +CO3(1034) +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {4,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {2,S} {3,D} + +HOCH2O(38) +multiplicity 2 +1 O u0 p2 c0 {3,S} {6,S} +2 O u1 p2 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {1,S} + +[CH]1OO1(971) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {3,S} +3 C u1 p0 c0 {1,S} {2,S} {4,S} +4 H u0 p0 c0 {3,S} + +[O]C(O)O(972) +multiplicity 2 +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u1 p2 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} + +O-2(1040) +1 O u0 p3 c0 + +O[C]1OO1(1008) +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {4,S} +3 O u0 p2 c0 {4,S} {5,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {3,S} + +CH3O(27) +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +[O]C1(O)OO1(997) +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 O u0 p2 c0 {1,S} {5,S} +3 O u0 p2 c0 {5,S} {6,S} +4 O u1 p2 c0 {5,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +6 H u0 p0 c0 {3,S} + +C2HO2(1001) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u1 p0 c0 {1,S} {4,S} {5,S} +4 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} + +OC1OO1(1047) +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {4,S} +3 O u0 p2 c0 {4,S} {6,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {3,S} + +O2CHO(67) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 O u1 p2 c0 {1,S} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 H u0 p0 c0 {4,S} + +CH3CO(47) +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u1 p0 c0 {1,D} {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +CH3OH(25) +1 O u0 p2 c0 {2,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} + +C2O2(1002) +1 O u0 p2 c0 {3,D} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,D} {4,D} +4 C u0 p0 c0 {2,D} {3,D} + +C2H3O2(1042) +multiplicity 2 +1 O u0 p2 c0 {3,S} {7,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u1 p0 c0 {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {1,S} + +C2HO3(1028) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} + +CH2(S)(22) +1 C u0 p1 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +CH2(21) +multiplicity 3 +1 C u2 p0 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +CH3O4(1023) +multiplicity 2 +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {8,S} +3 O u0 p2 c0 {5,S} {7,S} +4 O u1 p2 c0 {5,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} + +OC(O)(O)O(1071) +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {8,S} +3 O u0 p2 c0 {5,S} {7,S} +4 O u0 p2 c0 {5,S} {9,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} + +C2HO3(993) +multiplicity 2 +1 O u1 p2 c0 {5,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {2,D} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} + +C2HO3(1015) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {1,S} {2,S} {5,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {2,S} + +C2H2O3(976) +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} + +C2HO3(1027) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {5,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {1,S} {2,S} {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,D} +6 H u0 p0 c0 {4,S} + +CHO3(1009) +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {5,S} +3 O u0 p2 c0 {4,D} +4 C u1 p0 c0 {1,S} {3,D} +5 H u0 p0 c0 {2,S} + +O2CCHOOJ(347) +multiplicity 2 +1 O u0 p2 c0 {5,S} {7,S} +2 O u0 p2 c0 {5,D} +3 O u1 p2 c0 {6,S} +4 O u0 p2 c0 {6,D} +5 C u0 p0 c0 {1,S} {2,D} {6,S} +6 C u0 p0 c0 {3,S} {4,D} {5,S} +7 H u0 p0 c0 {1,S} + +OO[C](O)O(1010) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {5,S} {6,S} +3 O u0 p2 c0 {5,S} {7,S} +4 O u0 p2 c0 {1,S} {8,S} +5 C u1 p0 c0 {1,S} {2,S} {3,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} + +OCHCHO(52) +1 O u0 p2 c0 {3,D} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,D} {4,S} {5,S} +4 C u0 p0 c0 {2,D} {3,S} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} + +CH2CO(30) +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +[O]C1OO1(1041) +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {4,S} +3 O u1 p2 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} + +CHCHO(51) +multiplicity 3 +1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u1 p0 c0 {2,D} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} + +C2H2O(1085) +1 O u0 p2 c0 {2,S} {3,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {1,S} {2,D} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} + +CH3CO2(73) +multiplicity 2 +1 O u1 p2 c0 {4,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H2O2(1070) +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +OCO(1022) +1 O u0 p2 c0 {3,S} {6,S} +2 O u0 p2 c0 {3,S} {7,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} + +HCOH(28) +1 O u0 p1 c+1 {2,D} {4,S} +2 C u0 p1 c-1 {1,D} {3,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {1,S} + +C2H2O3(977) +1 O u0 p2 c0 {4,S} {7,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 C u0 p0 c0 {3,D} {4,S} {6,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {1,S} + +C2HO3(1017) +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {6,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {1,S} {5,D} +5 C u0 p0 c0 {3,D} {4,D} +6 H u0 p0 c0 {2,S} + +HCCO(53) +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 C u1 p0 c0 {3,D} {4,S} +3 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} + +CH(23) +multiplicity 2 +1 C u1 p1 c0 {2,S} +2 H u0 p0 c0 {1,S} + +OC1(O)OO1(1081) +1 O u0 p2 c0 {2,S} {5,S} +2 O u0 p2 c0 {1,S} {5,S} +3 O u0 p2 c0 {5,S} {6,S} +4 O u0 p2 c0 {5,S} {7,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2O3(1069) +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} + +CH3OCO(98) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +4 C u1 p0 c0 {1,S} {2,D} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +OC(O)O(1039) +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {4,S} {8,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H2O3(978) +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p1 c+1 {1,S} {5,D} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {3,D} {6,S} +5 C u0 p1 c-1 {2,D} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} + +cC2H3O(61) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u1 p0 c0 {1,S} {2,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + +O[CH]OO(1038) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {1,S} {7,S} +4 C u1 p0 c0 {1,S} {2,S} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +Ar(14) +1 Ar u0 p4 c0 + +[O]OC(O)O(973) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {5,S} {8,S} +3 O u0 p2 c0 {5,S} {7,S} +4 O u1 p2 c0 {1,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} + +C2HO3(1055) +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 O u0 p2 c0 {1,S} {4,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {2,S} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} + +CH2CHO(45) +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 C u1 p0 c0 {3,S} {4,S} {5,S} +3 C u0 p0 c0 {1,D} {2,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + +C2H3O3(1011) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {1,S} {2,S} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {2,S} + +OCH2CHO(510) +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u0 p0 c0 {2,D} {3,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2H2O(1080) +1 O u0 p2 c0 {2,D} +2 C u0 p0 c0 {1,D} {3,S} {4,S} +3 C u0 p1 c0 {2,S} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} + +[O]C#CO(1004) +multiplicity 2 +1 O u0 p2 c0 {3,S} {5,S} +2 O u1 p2 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {2,S} {3,T} +5 H u0 p0 c0 {1,S} + +OO[C]1OO1(1048) +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 O u0 p2 c0 {1,S} {5,S} +3 O u0 p2 c0 {4,S} {5,S} +4 O u0 p2 c0 {3,S} {6,S} +5 C u1 p0 c0 {1,S} {2,S} {3,S} +6 H u0 p0 c0 {4,S} + +C2H3O3(1032) +multiplicity 2 +1 O u0 p2 c0 {4,S} {7,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u1 p0 c0 {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2H3O2(1088) +multiplicity 2 +1 O u0 p2 c0 {3,S} {7,S} +2 O u0 p2 c0 {3,D} +3 C u0 p0 c0 {1,S} {2,D} {4,S} +4 C u1 p0 c0 {3,S} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {1,S} + +O1[C]2OC12(1049) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {3,S} {4,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {3,S} + +CH2OOH(37) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {6,S} +3 C u1 p0 c0 {1,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {2,S} + +OOC(O)O(1086) +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {5,S} {8,S} +4 O u0 p2 c0 {1,S} {9,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} + +[O]C(O)OO(975) +multiplicity 2 +1 O u0 p2 c0 {3,S} {5,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {1,S} {8,S} +4 O u1 p2 c0 {5,S} +5 C u0 p0 c0 {1,S} {2,S} {4,S} {6,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H4O2(1024) +1 O u0 p2 c0 {4,S} {8,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {1,S} + +CH2OCHO(97) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u1 p0 c0 {1,S} {5,S} {6,S} +4 C u0 p0 c0 {1,S} {2,D} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2H2O3(1031) +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,D} +5 C u0 p0 c0 {3,D} {4,D} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} + +C2H3O3(1043) +multiplicity 2 +1 O u0 p2 c0 {4,S} {8,S} +2 O u1 p2 c0 {5,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +5 C u0 p0 c0 {2,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {1,S} + +CH3CHO(40) +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,D} {2,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C2H2O2(1030) +1 O u0 p2 c0 {3,S} {6,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,D} {5,S} +4 C u0 p0 c0 {2,D} {3,D} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {1,S} + +C2H3O(1084) +multiplicity 2 +1 O u0 p2 c0 {3,S} {6,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 C u1 p0 c0 {1,S} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} + +C2H3O3(1053) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u1 p2 c0 {5,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +5 C u0 p0 c0 {1,S} {2,S} {3,D} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} + +C(33) +multiplicity 3 +1 C u2 p1 c0 + +O[C]1CO1(1093) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,S} {7,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {2,S} + +[O]C1CO1(1094) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u1 p2 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +CH2CHOH(48) +1 O u0 p2 c0 {2,S} {7,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {2,D} {5,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {1,S} + +C2HO3(1068) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {5,S} +3 O u1 p2 c0 {5,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +6 H u0 p0 c0 {4,S} + +He(15) +1 He u0 p1 c0 + +CH3CH2O(41) +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +HOCH2OCO(96) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +5 C u1 p0 c0 {1,S} {3,D} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {2,S} + +C2HO3(1072) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {5,S} +3 O u0 p2 c0 {4,S} {6,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 C u1 p0 c0 {1,S} {2,S} {4,S} +6 H u0 p0 c0 {3,S} + +C2H3O3(1066) +multiplicity 2 +1 O u0 p2 c0 {4,S} {8,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {1,S} {5,S} {6,S} +5 C u0 p0 c0 {2,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} + +C2H4O2(1056) +1 O u0 p2 c0 {3,S} {8,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u0 p0 c0 {2,D} {3,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {1,S} + +CHCHOH(55) +multiplicity 2 +1 O u0 p2 c0 {2,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u1 p0 c0 {2,D} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {1,S} + +C2H3O2(1046) +multiplicity 2 +1 O u0 p2 c0 {3,S} {7,S} +2 O u0 p2 c0 {4,D} +3 C u1 p0 c0 {1,S} {4,S} {5,S} +4 C u0 p0 c0 {2,D} {3,S} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {1,S} + +OC1[CH]O1(1140) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {3,S} {7,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 C u1 p0 c0 {1,S} {3,S} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} + +C2H3O3(1012) +multiplicity 2 +1 O u0 p2 c0 {4,S} {8,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u0 p0 c0 {3,D} {4,S} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {1,S} + +HOCH2O2H(71) +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {1,S} {8,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H4(24) +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +C2H2O(1117) +1 O u0 p2 c0 {2,S} {5,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p1 c0 {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} + +HCCOH(54) +1 O u0 p2 c0 {2,S} {5,S} +2 C u0 p0 c0 {1,S} {3,T} +3 C u0 p0 c0 {2,T} {4,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {1,S} + +[CH]C(1161) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p1 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C2H2(34) +1 C u0 p0 c0 {2,T} {3,S} +2 C u0 p0 c0 {1,T} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +C2H3(32) +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u1 p0 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +C2O(57) +multiplicity 3 +1 O u0 p2 c0 {2,D} +2 C u0 p0 c0 {1,D} {3,D} +3 C u2 p0 c0 {2,D} + +CH3OO(29) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +H2CC(46) +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p1 c0 {1,D} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +OCH2OCHO(93) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +5 C u0 p0 c0 {1,S} {3,D} {8,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} + +[O]C1OC1O(1092) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u1 p2 c0 {5,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {3,S} {4,S} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {2,S} + +C2H5(31) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3O3(1029) +multiplicity 2 +1 O u0 p2 c0 {5,S} {8,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {1,S} + +C2H4O2(1116) +1 O u0 p2 c0 {3,S} {8,S} +2 O u0 p2 c0 {3,S} {7,S} +3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 C u0 p0 c0 {3,D} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} + +CH3OCHO(95) +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} + +OCH2O2H(69) +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {7,S} +3 O u1 p2 c0 {4,S} +4 C u0 p0 c0 {1,S} {3,S} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} + +C2H3O3(1033) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {2,S} {3,D} +5 C u1 p0 c0 {1,S} {6,S} {7,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {2,S} + +C2H(35) +multiplicity 2 +1 C u0 p0 c0 {2,T} {3,S} +2 C u1 p0 c0 {1,T} +3 H u0 p0 c0 {1,S} + +C2H3O3(1100) +multiplicity 2 +1 O u0 p2 c0 {4,S} {7,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u1 p2 c0 {5,S} +4 C u0 p0 c0 {1,S} {2,S} {5,D} +5 C u0 p0 c0 {3,S} {4,D} {6,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +O[C]1OC1O(1125) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {5,S} {8,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u1 p0 c0 {1,S} {3,S} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H2O3(992) +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {5,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +5 C u0 p0 c0 {2,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +HOCH2O2(70) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u1 p2 c0 {1,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} + +C2H2O3(1097) +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} + diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/input.py b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/input.py new file mode 100644 index 00000000..86c288cb --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/RMG/input.py @@ -0,0 +1,66 @@ +database( + thermoLibraries=['primaryThermoLibrary'], + reactionLibraries=[], + transportLibraries=['OneDMinN2', 'PrimaryTransportLibrary', 'NOx2018', 'GRI-Mech'], + seedMechanisms=[], + kineticsDepositories='default', + kineticsFamilies='default', + kineticsEstimator='rate rules', +) + +species( + label='FA', + reactive=True, + structure=SMILES('OC=O'), +) + +species( + label='O2', + reactive=True, + structure=SMILES('[O][O]'), +) + +species( + label='N2', + reactive=False, + structure=SMILES('N#N'), +) + +simpleReactor( + temperature=(1000.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'FA': [1.0, 4.0], + 'O2': 1.0, + }, + terminationRateRatio=0.1, + nSims=12, +) + +model( + toleranceMoveToCore=0.01, + toleranceInterruptSimulation=0.01, + filterReactions=True, + filterThreshold=100000000.0, + maxNumObjsPerIter=1, + terminateAtMaxObjects=False, +) + +simulator(atol=1e-16, rtol=1e-08, sens_atol=1e-06, sens_rtol=0.0001) + +options( + name='Seed', + generateSeedEachIteration=True, + saveSeedToDatabase=False, + units='si', + generateOutputHTML=False, + generatePlots=False, + saveSimulationProfiles=False, + verboseComments=False, + saveEdgeSpecies=True, + keepIrreversible=False, + trimolecularProductReversible=True, + wallTime='00:00:05:00', + saveSeedModulus=-1, +) diff --git a/tests/test_simulate_adapters/test_rmg_constantTP.py b/tests/test_simulate_adapters/test_rmg_constantTP.py index 181f3586..bc7cd25f 100755 --- a/tests/test_simulate_adapters/test_rmg_constantTP.py +++ b/tests/test_simulate_adapters/test_rmg_constantTP.py @@ -10,18 +10,38 @@ from t3.common import SIMULATE_DATA_BASE_PATH from tests.common import run_minimal +from t3.main import T3 from t3.simulate.rmg_constantTP import RMGConstantTP -TEST_DIR = os.path.join(SIMULATE_DATA_BASE_PATH, 'rmg_simulator_test') - +TEST_DIR_1 = os.path.join(SIMULATE_DATA_BASE_PATH, 'rmg_simulator_test') +TEST_DIR_2 = os.path.join(SIMULATE_DATA_BASE_PATH, 'rmg_simulator_test_ranges_3a') +TEST_DIR_3 = os.path.join(SIMULATE_DATA_BASE_PATH, 'rmg_simulator_test_ranges_3b') +RANGED_INPUT_DICT_1 = {'verbose': 10, 'project_directory': TEST_DIR_2, + 'project': 'test_get_species_concentration_lists_from_ranged_params_case_3a', + 't3': {'options': {'max_T3_iterations': 2, 'max_RMG_walltime': '00:00:05:00'}, + 'sensitivity': {'adapter': 'RMGConstantTP', 'top_SA_species': 10}}, + 'rmg': {'database': {'thermo_libraries': ['primaryThermoLibrary'], 'kinetics_libraries': []}, + 'reactors': [{'type': 'gas batch constant T P', + 'T': 1000, 'P': 1, 'termination_rate_ratio': 0.1}], + 'model': {'core_tolerance': [0.01, 0.001]}}, + 'qm': {'adapter': 'ARC', 'level_of_theory': 'b3lyp/6-31g(d,p)'}} +RANGED_INPUT_DICT_2 = {'verbose': 10, 'project_directory': TEST_DIR_3, + 'project': 'test_get_species_concentration_lists_from_ranged_params_case_3b', + 't3': {'options': {'max_T3_iterations': 2, 'max_RMG_walltime': '00:00:05:00'}, + 'sensitivity': {'adapter': 'RMGConstantTP', 'top_SA_species': 10}}, + 'rmg': {'database': {'thermo_libraries': ['primaryThermoLibrary'], 'kinetics_libraries': []}, + 'reactors': [{'type': 'gas batch constant T P', + 'T': 1000, 'P': 1, 'termination_rate_ratio': 0.1}], + 'model': {'core_tolerance': [0.01, 0.001]}}, + 'qm': {'adapter': 'ARC', 'level_of_theory': 'b3lyp/6-31g(d,p)'}} def test_set_up_no_sa(): """ Run RMG's minimal example without SA by testing the `set_up` method within the RMGSimulator init method. By setting observable_list = list(), no SA is run. Instead, RMG is just used to simulate the mechanism. """ - t3 = run_minimal(project_directory=TEST_DIR) + t3 = run_minimal(project_directory=TEST_DIR_1) t3.set_paths() rmg_simulator_adapter = RMGConstantTP(t3=t3.t3, @@ -44,7 +64,7 @@ def test_get_sa_coefficients(): Then run the `get_sa_coefficients()` method to test that RMGConstantTP correctly parses the SA csv files to obtain sa_dict. """ - t3 = run_minimal(project_directory=TEST_DIR) + t3 = run_minimal(project_directory=TEST_DIR_1) t3.set_paths() observable_list = ['OH', 'H'] rmg_simulator_adapter = RMGConstantTP(t3=t3.t3, @@ -80,7 +100,7 @@ def test_get_idt_by_T(): Calculate the ignition delay time for RMG's minimal example. Since this adapter simulates at constant T, this method returns a dictionary whose values are empty lists. """ - t3 = run_minimal(project_directory=TEST_DIR) + t3 = run_minimal(project_directory=TEST_DIR_1) t3.set_paths() rmg_simulator_adapter = RMGConstantTP(t3=t3.t3, rmg=t3.rmg, @@ -96,20 +116,85 @@ def test_get_idt_by_T(): assert len(idt_dict['idt_index']) == 0 +def test_get_species_concentration_lists_from_ranged_params_case_3(): + """ + Test the get_species_concentration_lists_from_ranged_params() method + For case 3 where ``modify_concentration_ranges_together`` is set to ``True`` + """ + input_dict = RANGED_INPUT_DICT_1.copy() + input_dict['rmg']['species'] = [ + {'label': 'fuel', 'smiles': 'CC', 'concentration': 1, 'reactive': True, 'balance': False}, + {'label': 'O2', 'smiles': '[O][O]', 'concentration': [3.75, 11.25], 'reactive': True, 'balance': False}, + {'label': 'N2', 'smiles': 'N#N', 'concentration': [14.1, 42.3], 'reactive': False, 'balance': False}] + input_dict['t3']['options']['modify_concentration_ranges_together'] = True + input_dict['t3']['options']['modify_concentration_ranges_in_reverse'] = False + t3 = T3(**input_dict) + t3.iteration = 1 + t3.set_paths() + rmg_simulator_adapter = RMGConstantTP(t3=t3.t3, + rmg=t3.rmg, + paths=t3.paths, + logger=t3.logger, + atol=t3.rmg['model']['atol'], + rtol=t3.rmg['model']['rtol'], + observable_list=list(), + ) + species_lists = rmg_simulator_adapter.get_species_concentration_lists_from_ranged_params() + assert species_lists == [[{'concentration': 14.1, 'label': 'N2'}, + {'concentration': 3.75, 'label': 'O2'}, + {'concentration': 1, 'label': 'fuel'}], + [{'concentration': 28.199999999999996, 'label': 'N2'}, + {'concentration': 7.5, 'label': 'O2'}, + {'concentration': 1, 'label': 'fuel'}], + [{'concentration': 42.3, 'label': 'N2'}, + {'concentration': 11.25, 'label': 'O2'}, + {'concentration': 1, 'label': 'fuel'}]] + + input_dict = RANGED_INPUT_DICT_2.copy() + input_dict['rmg']['species'] = [ + {'label': 'FA', 'smiles': 'OC=O', 'concentration': [1, 4], 'reactive': True, 'balance': False}, + {'label': 'O2', 'smiles': '[O][O]', 'concentration': 1, 'reactive': True, 'balance': False}, + {'label': 'N2', 'smiles': 'N#N', 'concentration': 3.76, 'reactive': False, 'balance': False}] + input_dict['t3']['options']['modify_concentration_ranges_together'] = True + input_dict['t3']['options']['modify_concentration_ranges_in_reverse'] = False + t3 = T3(**input_dict) + t3.iteration = 1 + t3.set_paths() + rmg_simulator_adapter = RMGConstantTP(t3=t3.t3, + rmg=t3.rmg, + paths=t3.paths, + logger=t3.logger, + atol=t3.rmg['model']['atol'], + rtol=t3.rmg['model']['rtol'], + observable_list=list(), + ) + species_lists = rmg_simulator_adapter.get_species_concentration_lists_from_ranged_params() + assert species_lists == [[{'label': 'N2', 'concentration': 3.76}, + {'label': 'O2', 'concentration': 1.0}, + {'label': 'FA', 'concentration': 1.0}], + [{'label': 'N2', 'concentration': 3.76}, + {'label': 'FA', 'concentration': 2.5}, + {'label': 'O2', 'concentration': 1.0}], + [{'label': 'FA', 'concentration': 4.0}, + {'label': 'N2', 'concentration': 3.76}, + {'label': 'O2', 'concentration': 1.0}]] + + def teardown_module(): """ A method that is run after all unit tests in this class. Delete all project directories created during these unit tests """ - solver_directory = os.path.join(TEST_DIR, 'iteration_0', 'RMG', 'solver') - species_directory = os.path.join(TEST_DIR, 'iteration_0', 'RMG', 'species') - sa_directory = os.path.join(TEST_DIR, 'iteration_0', 'SA') - log_archive = os.path.join(TEST_DIR, 'log_archive') - dirs = [solver_directory, species_directory, sa_directory, log_archive] - for dir in dirs: - if os.path.isdir(dir): - shutil.rmtree(dir, ignore_errors=True) - files = [os.path.join(TEST_DIR, 't3.log')] - for file in files: - if os.path.isfile(file): - os.remove(file) + for test_dir in [TEST_DIR_1, TEST_DIR_2, TEST_DIR_3]: + solver_directory = os.path.join(test_dir, 'iteration_1', 'RMG', 'solver') + species_directory = os.path.join(test_dir, 'iteration_1', 'RMG', 'species') + sa_directory = os.path.join(test_dir, 'iteration_1', 'SA') + log_archive = os.path.join(test_dir, 'log_archive') + dirs = [solver_directory, species_directory, sa_directory, log_archive] + for dir in dirs: + if os.path.isdir(dir): + shutil.rmtree(dir, ignore_errors=True) + files = [os.path.join(test_dir, 't3.log')] + for file in files: + if os.path.isfile(file): + os.remove(file) From f5ca7667360f474a35bf2ce276249b1fedd27fd8 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Tue, 15 Aug 2023 16:01:59 +0300 Subject: [PATCH 4/7] Make `iteration` an optional arg for write_rmg_input_file() --- t3/simulate/rmg_constantTP.py | 1 - t3/utils/writer.py | 5 +++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/t3/simulate/rmg_constantTP.py b/t3/simulate/rmg_constantTP.py index a4f7c60a..71e53cb2 100755 --- a/t3/simulate/rmg_constantTP.py +++ b/t3/simulate/rmg_constantTP.py @@ -116,7 +116,6 @@ def set_up(self): write_rmg_input_file( rmg=self.generate_rmg_reactors_for_simulation(), t3=self.t3, - iteration=1, # Does not matter for simulating or computing SA. path=self.rmg_input_file, walltime=self.t3['options']['max_RMG_walltime'], ) diff --git a/t3/utils/writer.py b/t3/utils/writer.py index 61171e7c..d9060312 100644 --- a/t3/utils/writer.py +++ b/t3/utils/writer.py @@ -18,8 +18,8 @@ def write_rmg_input_file(rmg: dict, t3: dict, - iteration: int, path: str, + iteration: int = 1, walltime: str = '00:00:00:00', ): """ @@ -29,8 +29,9 @@ def write_rmg_input_file(rmg: dict, Args: rmg (dict): The arguments to write in a keyword argument dictionary format. t3 (dict): The T3 arguments in a keyword argument dictionary format. Includes atol and rtol for SA. - iteration (int): The T3 iteration, used to determine ``core_tolerance`` and ``tolerance_interrupt_simulation``. path (str): The path where the RMG input file should be saved. + iteration (int, optional): The T3 iteration, used to determine ``core_tolerance`` and + ``tolerance_interrupt_simulation``. Does not matter for simulating or computing SA. walltime (str, optional): The time cap for an RMG run. Should pass here t3['options']['max_RMG_walltime'] """ rmg = rmg.copy() From 05f38814ed0d5f2ebf544c508c8c5f6a9dabac6b Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Tue, 15 Aug 2023 16:11:06 +0300 Subject: [PATCH 5/7] Added a sensitivity block to the RMG input file --- t3/utils/writer.py | 17 +++++++++++++++-- 1 file changed, 15 insertions(+), 2 deletions(-) diff --git a/t3/utils/writer.py b/t3/utils/writer.py index d9060312..9ef56d0f 100644 --- a/t3/utils/writer.py +++ b/t3/utils/writer.py @@ -20,6 +20,7 @@ def write_rmg_input_file(rmg: dict, t3: dict, path: str, iteration: int = 1, + run_sa: bool = False, walltime: str = '00:00:00:00', ): """ @@ -32,6 +33,7 @@ def write_rmg_input_file(rmg: dict, path (str): The path where the RMG input file should be saved. iteration (int, optional): The T3 iteration, used to determine ``core_tolerance`` and ``tolerance_interrupt_simulation``. Does not matter for simulating or computing SA. + run_sa (bool, optional): Whether to add sensitivity analysis information into the RMG input file. walltime (str, optional): The time cap for an RMG run. Should pass here t3['options']['max_RMG_walltime'] """ rmg = rmg.copy() @@ -101,7 +103,7 @@ def write_rmg_input_file(rmg: dict, pressure=${pressure}, initialMoleFractions={${concentrations()} }, ${termination} - nSims=${conditions_per_iteration},${balance}${constant} + nSims=${conditions_per_iteration},${balance}${constant}${sensitivity} ) <%def name="concentrations()"> % for spc in species_list: @@ -119,7 +121,7 @@ def write_rmg_input_file(rmg: dict, temperature=${temperature}, initialConcentrations={${concentrations()} }, ${termination} - nSims=${conditions_per_iteration},${constant} + nSims=${conditions_per_iteration},${constant}${sensitivity} ) <%def name="concentrations()"> % for spc in species_list: @@ -167,6 +169,16 @@ def write_rmg_input_file(rmg: dict, constant = '\n constantSpecies=[' constant += f"'{spc['label']}', " constant += '],' if constant else '' + sensitivity = '' + observables = [spc['label'] for spc in species if spc['observable']] + if run_sa and len(observables): + sensitivity = '\n sensitivity=[' + for i, observable in enumerate(observables): + sensitivity += f"'{observable}'" + if i < len(observables) - 1: + sensitivity += ', ' + sensitivity += f"],\n sensitivityThreshold={t3['sensitivity']['SA_threshold']}" + if reactor['type'] == 'gas batch constant T P': if isinstance(reactor['P'], float): @@ -189,6 +201,7 @@ def write_rmg_input_file(rmg: dict, conditions_per_iteration=reactor['conditions_per_iteration'], balance=balance, constant=constant, + sensitivity=sensitivity, ) elif reactor['type'] == 'liquid batch constant T V': From 1bc1772f108424ad0716188b00c7286afa73ea5a Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Thu, 2 May 2024 11:47:37 +0300 Subject: [PATCH 6/7] Tests: SA as a subprocess --- .../iteration_1/SAb/input.py | 278 ++++ .../rmg_simulator_test_ranges_3c/input.yml | 125 ++ .../RMG/chemkin/chem_annotated.inp | 163 +++ .../RMG/chemkin/species_dictionary.txt | 1170 +++++++++++++++++ .../iteration_1/RMG/input.py | 446 +++++++ .../data/rmg_simulator_test_ranges_3c/t3.log | 74 -- .../test_rmg_constantTP.py | 79 +- 7 files changed, 2248 insertions(+), 87 deletions(-) create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/SAb/input.py create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/input.yml create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/chemkin/chem_annotated.inp create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/chemkin/species_dictionary.txt create mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/input.py delete mode 100644 tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/t3.log diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/SAb/input.py b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/SAb/input.py new file mode 100644 index 00000000..f88a02db --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3b/iteration_1/SAb/input.py @@ -0,0 +1,278 @@ +database( + thermoLibraries=['primaryThermoLibrary', 'BurkeH2O2', 'thermo_DFT_CCSDTF12_BAC', 'DFT_QCI_thermo', 'Spiekermann_refining_elementary_reactions', 'CurranPentane', 'CBS_QB3_1dHR', 'primaryNS'], + reactionLibraries=['primaryH2O2', 'NOx2018', '2006_Joshi_OH_CO', 'CurranPentane', 'Klippenstein_Glarborg2016', 'C2H4+O_Klipp2017', 'FFCM1(-)', 'C2H2_init', 'Narayanaswamy', 'Mebel_C6H5_C2H2', 'C10H11', 'C12H11_pdep', 'Lai_Hexylbenzene', '1989_Stewart_2CH3_to_C2H5_H', '2001_Tokmakov_H_Toluene_to_CH3_Benzene', '2003_Miller_Propargyl_Recomb_High_P', '2005_Senosiain_OH_C2H2', 'kislovB', 'c-C5H5_CH3_Sharma', 'fascella', '2006_Joshi_OH_CO', '2009_Sharma_C5H5_CH3_highP', '2015_Buras_C2H3_C4H6_highP', 'C3', 'Methylformate', 'C6H5_C4H4_Mebel', 'vinylCPD_H', 'Mebel_Naphthyl', 'Fulvene_H'], + transportLibraries=['OneDMinN2', 'PrimaryTransportLibrary', 'NOx2018', 'GRI-Mech'], + seedMechanisms=[], + kineticsDepositories='default', + kineticsFamilies='default', + kineticsEstimator='rate rules', +) + +species( + label='FA', + reactive=True, + structure=SMILES('OC=O'), +) + +species( + label='N2', + reactive=False, + structure=SMILES('N#N'), +) + +species( + label='O2', + reactive=True, + structure=SMILES('[O][O]'), +) + +species( + label='OH', + reactive=True, + structure=SMILES('[OH]'), +) + +species( + label='HO2', + reactive=True, + structure=SMILES('O[O]'), +) + +species( + label='H', + reactive=True, + structure=SMILES('[H]'), +) + +species( + label='H2', + reactive=True, + structure=SMILES('[H][H]'), +) + +species( + label='CH3', + reactive=True, + structure=SMILES('[CH3]'), +) + +species( + label='CO', + reactive=True, + structure=SMILES('[C-]#[O+]'), +) + +species( + label='CO2', + reactive=True, + structure=SMILES('O=C=O'), +) + +species( + label='HOCO', + reactive=True, + structure=SMILES('O[C]=O'), +) + +species( + label='OCHO', + reactive=True, + structure=SMILES('[O]C=O'), +) + +species( + label='CH2O', + reactive=True, + structure=SMILES('C=O'), +) + +species( + label='HCO', + reactive=True, + structure=SMILES('[CH]=O'), +) + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + +model( + toleranceMoveToCore=0.2, + toleranceInterruptSimulation=0.2, + filterReactions=True, + filterThreshold=100000000.0, + maxNumObjsPerIter=1, + terminateAtMaxObjects=False, +) + +simulator(atol=1e-16, rtol=1e-08, sens_atol=1e-06, sens_rtol=0.0001) + +pressureDependence( + method='modified strong collision', + maximumGrainSize=(2.0, 'kJ/mol'), + minimumNumberOfGrains=250, + temperatures=(300, 2500, 'K', 10), + pressures=(0.1, 110, 'bar', 10), + interpolation=('Chebyshev', 6, 4), + maximumAtoms=16, +) + +options( + name='Seed', + generateSeedEachIteration=True, + saveSeedToDatabase=False, + units='si', + generateOutputHTML=True, + generatePlots=False, + saveSimulationProfiles=True, + verboseComments=False, + saveEdgeSpecies=False, + keepIrreversible=False, + trimolecularProductReversible=True, + wallTime='00:00:00:00', + saveSeedModulus=-1, +) + +generatedSpeciesConstraints( + allowed=['input species', 'seed mechanisms', 'reaction libraries'], + maximumCarbonAtoms=2, + maximumOxygenAtoms=4, + maximumNitrogenAtoms=0, + maximumSiliconAtoms=0, + maximumSulfurAtoms=0, + maximumHeavyAtoms=5, + maximumRadicalElectrons=1, + maximumSingletCarbenes=1, + maximumCarbeneRadicals=0, + allowSingletO2=True, +) diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/input.yml b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/input.yml new file mode 100644 index 00000000..cc603799 --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/input.yml @@ -0,0 +1,125 @@ +project: xfa1014 + +t3: + options: + library_name: FA + max_T3_iterations: 5 + max_RMG_exceptions_allowed: 5 + all_core_species: true + + sensitivity: + adapter: RMGConstantTP + SA_threshold: 0.01 + pdep_SA_threshold: 0.001 + ME_methods: ['MSC'] + top_SA_reactions: 0 + +rmg: + database: + thermo_libraries: + - primaryThermoLibrary + - BurkeH2O2 + - thermo_DFT_CCSDTF12_BAC + - DFT_QCI_thermo + - Spiekermann_refining_elementary_reactions + - CurranPentane + - CBS_QB3_1dHR + - primaryNS + kinetics_libraries: + - primaryH2O2 + - NOx2018 + - 2006_Joshi_OH_CO + - CurranPentane + - Klippenstein_Glarborg2016 + - C2H4+O_Klipp2017 + - FFCM1(-) + - C2H2_init + - Narayanaswamy + - Mebel_C6H5_C2H2 + - C10H11 + - C12H11_pdep + - Lai_Hexylbenzene + - 1989_Stewart_2CH3_to_C2H5_H + - 2001_Tokmakov_H_Toluene_to_CH3_Benzene + - 2003_Miller_Propargyl_Recomb_High_P + - 2005_Senosiain_OH_C2H2 + - kislovB + - c-C5H5_CH3_Sharma + - fascella + - 2006_Joshi_OH_CO + - 2009_Sharma_C5H5_CH3_highP + - 2015_Buras_C2H3_C4H6_highP + - C3 + - Methylformate + - C6H5_C4H4_Mebel + - vinylCPD_H + - Mebel_Naphthyl + - Fulvene_H + + species: + - label: FA + smiles: OC=O + concentration: [1, 4] + observable: true + + - label: N2 + smiles: "N#N" + concentration: 3.76 + reactive: false + + - label: O2 + smiles: "[O][O]" + concentration: 1 + + - label: H + smiles: '[H]' + observable: true + + - label: H2 + smiles: '[H][H]' + observable: true + + - label: CO2 + smiles: 'O=C=O' + observable: true + + reactors: + - type: gas batch constant T P + T: [500, 2000] # K + P: [1.0, 100.0] # bar + termination_time: [60, 's'] + + model: + core_tolerance: [0.20, 0.10, 0.05, 0.01, 0.001] + + pdep: + method: MSC + max_grain_size: 2 + max_number_of_grains: 250 + T: [300, 2500, 10] # K + P: [0.1, 110, 10] # bar + interpolation: Chebyshev + + options: + save_simulation_profiles: True + save_edge: false + save_html: true + + species_constraints: + allowed: ['input species', 'seed mechanisms', 'reaction libraries'] + max_C_atoms: 2 + max_O_atoms: 4 + max_N_atoms: 0 + max_Si_atoms: 0 + max_S_atoms: 0 + max_heavy_atoms: 5 + max_radical_electrons: 1 + max_singlet_carbenes: 1 + max_carbene_radicals: 0 + +qm: + adapter: ARC + level_of_theory: CBS-QB3 + job_types: + rotors: false + diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/chemkin/chem_annotated.inp b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/chemkin/chem_annotated.inp new file mode 100644 index 00000000..1038f331 --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/chemkin/chem_annotated.inp @@ -0,0 +1,163 @@ +ELEMENTS + H + D /2.014/ + T /3.016/ + C + CI /13.003/ + O + OI /17.999/ + N + Ne + Ar + He + Si + S + F + Cl + Br + I + X /195.083/ +END + + 8, 9, 10, 11 +SPECIES + N2 ! N2 + FA(1) ! FA(1) + O2(2) ! O2(2) + OH(3) ! OH(3) + HO2(4) ! HO2(4) + H(5) ! H(5) + H2(6) ! H2(6) + CO(8) ! CO(8) + CO2(9) ! CO2(9) + HOCO(10) ! HOCO(10) + OCHO(11) ! OCHO(11) +END + + + +THERM ALL + 300.000 1000.000 5000.000 + +! Thermo library: primaryThermoLibrary +N2 N 2 G 200.000 6000.000 1000.00 1 + 2.95258000E+00 1.39690000E-03-4.92632000E-07 7.86010000E-11-4.60755000E-15 2 +-9.23949000E+02 5.87189000E+00 3.53101000E+00-1.23661000E-04-5.02999000E-07 3 + 2.43531000E-09-1.40881000E-12-1.04698000E+03 2.96747000E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +FA(1) C 1H 2O 2 G 100.000 5000.000 993.73 1 + 5.64500524E+00 7.55181593E-03-3.20851133E-06 6.58918310E-10-5.05054607E-14 2 +-4.79890033E+04-5.43105670E+00 3.76240464E+00-9.43843319E-04 3.38778229E-05 3 +-4.04982872E-08 1.43986297E-11-4.68212101E+04 7.63276442E+00 4 + +! Thermo library: primaryThermoLibrary +O2(2) O 2 G 100.000 5000.000 1074.56 1 + 3.15382425E+00 1.67803802E-03-7.69971020E-07 1.51274714E-10-1.08781800E-14 2 +-1.04081878E+03 6.16753883E+00 3.53732181E+00-1.21570930E-03 5.31617825E-06 3 +-4.89443423E-09 1.45845042E-12-1.03858846E+03 4.68368406E+00 4 + +! Thermo library: primaryThermoLibrary +OH(3) H 1O 1 G 100.000 5000.000 1145.74 1 + 3.07194681E+00 6.04004392E-04-1.39720149E-08-2.13460516E-11 2.48077364E-15 2 + 3.57938362E+03 4.57796028E+00 3.51456708E+00 2.92881064E-05-5.32198223E-07 3 + 1.01953142E-09-3.85960934E-13 3.41425424E+03 2.10435231E+00 4 + +! Thermo library: BurkeH2O2 +HO2(4) H 1O 2 G 100.000 5000.000 923.89 1 + 4.15126961E+00 1.91156996E-03-4.11338645E-07 6.35111277E-11-4.86514093E-15 2 + 8.34463108E+01 3.09375971E+00 4.02958125E+00-2.64011590E-03 1.52240164E-05 3 +-1.71685137E-08 6.26801266E-12 3.22676372E+02 4.84420427E+00 4 + +! Thermo library: primaryThermoLibrary +H(5) H 1 G 100.000 5000.000 4561.14 1 + 2.50001921E+00-1.64942466E-08 5.30954718E-12-7.59275309E-16 4.06972192E-20 2 + 2.54741999E+04-4.45095101E-01 2.50000000E+00-2.06855000E-14 2.66266370E-17 3 +-1.11497399E-20 1.43541790E-24 2.54742178E+04-4.44972896E-01 4 + +! Thermo library: primaryThermoLibrary +H2(6) H 2 G 100.000 5000.000 1959.07 1 + 2.78819528E+00 5.87602676E-04 1.59028331E-07-5.52774980E-11 4.34337190E-15 2 +-5.96161647E+02 1.12558063E-01 3.43536384E+00 2.12712801E-04-2.78630593E-07 3 + 3.40271520E-10-7.76042777E-14-1.03135982E+03-3.90841624E+00 4 + +! Thermo library: primaryThermoLibrary +CO(8) C 1O 1 G 100.000 5000.000 1571.64 1 + 2.91306360E+00 1.64658283E-03-6.88617336E-07 1.21037894E-10-7.84022132E-15 2 +-1.41808829E+04 6.71047549E+00 3.56838002E+00-8.52125971E-04 2.48917892E-06 3 +-1.56331136E-09 3.13595586E-13-1.42842549E+04 3.57912165E+00 4 + +! Thermo library: BurkeH2O2 +CO2(9) C 1O 2 G 100.000 5000.000 988.19 1 + 4.55072094E+00 2.90726846E-03-1.14642269E-06 2.25795758E-10-1.69524618E-14 2 +-4.89860127E+04-1.45666702E+00 3.27790034E+00 2.75785056E-03 7.12778041E-06 3 +-1.07853382E-08 4.14222594E-12-4.84756031E+04 5.97856597E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +HOCO(10) C 1H 1O 2 G 100.000 5000.000 964.14 1 + 6.82915373E+00 2.24155208E-03-7.19488796E-07 1.57572542E-10-1.36960016E-14 2 +-2.45226396E+04-1.00670620E+01 3.57769650E+00 4.99224135E-03 1.17083851E-05 3 +-1.99883073E-08 8.20562415E-12-2.33965408E+04 8.08905075E+00 4 + +! Thermo library: thermo_DFT_CCSDTF12_BAC +OCHO(11) C 1H 1O 2 G 100.000 5000.000 1057.62 1 + 5.51467513E+00 4.87385278E-03-2.12203725E-06 4.14215905E-10-2.99878430E-14 2 +-1.73523980E+04-2.54569028E+00 3.56693714E+00 7.37391679E-03 1.23410929E-06 3 +-6.05191236E-09 2.52686372E-12-1.66682341E+04 8.24684460E+00 4 + +END + + +REACTIONS KCAL/MOLE MOLES + +! Reaction index: Chemkin #1; RMG #1 +! Library reaction: primaryH2O2 +! Flux pairs: H(5), H2(6); H(5), H2(6); +H(5)+H(5)+M<=>H2(6)+M 7.000e+17 -1.000 0.000 +Ar(14)/0.00/ He(15)/0.00/ N2/0.00/ H(5)/0.00/ H2(6)/0.00/ O2(2)/0.00/ H2O(17)/14.30/ + +! Reaction index: Chemkin #2; RMG #2 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), OH(3); H2(6), OH(3); +O2(2)+H2(6)<=>OH(3)+OH(3) 2.040000e+12 0.440 69.155 + +! Reaction index: Chemkin #3; RMG #3 +! Library reaction: primaryH2O2 +! Flux pairs: O2(2), HO2(4); H2(6), HO2(4); O2(2), HO2(4); +O2(2)+O2(2)+H2(6)<=>HO2(4)+HO2(4) 2.000000e+17 0.000 25.830 + +! Reaction index: Chemkin #4; RMG #4 +! Library reaction: CurranPentane +! Flux pairs: FA(1), CO(8); H(5), H2(6); H(5), OH(3); +H(5)+FA(1)=>OH(3)+H2(6)+CO(8) 6.030000e+13 -0.350 2.988 + +! Reaction index: Chemkin #5; RMG #5 +! Library reaction: NOx2018 +! Flux pairs: FA(1), H2(6); FA(1), CO2(9); +! Reaction library: 'NOx2018' +FA(1)(+M)<=>H2(6)+CO2(9)(+M) 4.500e+13 0.000 68.240 + + LOW/ 1.700e+15 0.000 51.110 / + +! Reaction index: Chemkin #6; RMG #6 +! Library reaction: CurranPentane +! Flux pairs: FA(1), CO2(9); H(5), H(5); H(5), H2(6); +H(5)+FA(1)=>H(5)+H2(6)+CO2(9) 4.240000e+06 2.100 4.868 + +! Reaction index: Chemkin #7; RMG #7 +! Library reaction: NOx2018 +! Flux pairs: HOCO(10), FA(1); HO2(4), O2(2); +HO2(4)+HOCO(10)<=>O2(2)+FA(1) 4.000000e+11 0.000 0.000 + +! Reaction index: Chemkin #8; RMG #8 +! Library reaction: NOx2018 +! Flux pairs: FA(1), OCHO(11); H(5), H2(6); +H(5)+FA(1)<=>H2(6)+OCHO(11) 4.200000e+05 2.255 14.091 + +! Reaction index: Chemkin #9; RMG #9 +! Library reaction: NOx2018 +! Flux pairs: FA(1), OCHO(11); O2(2), HO2(4); +O2(2)+FA(1)<=>HO2(4)+OCHO(11) 3.000000e+13 0.000 63.000 + +END + diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/chemkin/species_dictionary.txt b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/chemkin/species_dictionary.txt new file mode 100644 index 00000000..ebbad19c --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/chemkin/species_dictionary.txt @@ -0,0 +1,1170 @@ +N2 +1 N u0 p1 c0 {2,T} +2 N u0 p1 c0 {1,T} + +Ne +1 Ne u0 p4 c0 + +FA(1) +1 O u0 p2 c0 {3,S} {5,S} +2 O u0 p2 c0 {3,D} +3 C u0 p0 c0 {1,S} {2,D} {4,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {1,S} + +O2(2) +multiplicity 3 +1 O u1 p2 c0 {2,S} +2 O u1 p2 c0 {1,S} + +OH(3) +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 H u0 p0 c0 {1,S} + +HO2(4) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} + +H(5) +multiplicity 2 +1 H u1 p0 c0 + +H2(6) +1 H u0 p0 c0 {2,S} +2 H u0 p0 c0 {1,S} + +CH3(7) +multiplicity 2 +1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CO(8) +1 O u0 p1 c+1 {2,T} +2 C u0 p1 c-1 {1,T} + +CO2(9) +1 O u0 p2 c0 {3,D} +2 O u0 p2 c0 {3,D} +3 C u0 p0 c0 {1,D} {2,D} + +HOCO(10) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {3,D} +3 C u1 p0 c0 {1,S} {2,D} +4 H u0 p0 c0 {1,S} + +OCHO(11) +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 O u0 p2 c0 {3,D} +3 C u0 p0 c0 {1,S} {2,D} {4,S} +4 H u0 p0 c0 {3,S} + +CH2O(12) +1 O u0 p2 c0 {2,D} +2 C u0 p0 c0 {1,D} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} + +HCO(13) +multiplicity 2 +1 O u0 p2 c0 {2,D} +2 C u1 p0 c0 {1,D} {3,S} +3 H u0 p0 c0 {2,S} + +H2O(17) +1 O u0 p2 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +CHO4(985) +multiplicity 2 +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {4,S} {5,S} +3 O u0 p2 c0 {5,D} +4 O u1 p2 c0 {2,S} +5 C u0 p0 c0 {1,S} {2,S} {3,D} +6 H u0 p0 c0 {1,S} + +H2O2(18) +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +CH2O4(1005) +1 O u0 p2 c0 {3,S} {5,S} +2 O u0 p2 c0 {5,S} {6,S} +3 O u0 p2 c0 {1,S} {7,S} +4 O u0 p2 c0 {5,D} +5 C u0 p0 c0 {1,S} {2,S} {4,D} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +CHO3(986) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {2,S} {3,D} +5 H u0 p0 c0 {1,S} + +O(16) +multiplicity 3 +1 O u2 p2 c0 + +O2(983) +1 O u0 p2 c0 {2,D} +2 O u0 p2 c0 {1,D} + +OCHCO(63) +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,D} {4,S} {5,S} +4 C u1 p0 c0 {2,D} {3,S} +5 H u0 p0 c0 {3,S} + +C2HO3(991) +multiplicity 2 +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 C u1 p0 c0 {3,D} {4,S} +6 H u0 p0 c0 {1,S} + +CH2O3(1000) +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {4,S} {5,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {2,S} {3,D} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} + +CH4(20) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +O3(19) +1 O u0 p1 c+1 {2,S} {3,D} +2 O u0 p3 c-1 {1,S} +3 O u0 p2 c0 {1,D} + +O[CH]O(970) +multiplicity 2 +1 O u0 p2 c0 {3,S} {5,S} +2 O u0 p2 c0 {3,S} {6,S} +3 C u1 p0 c0 {1,S} {2,S} {4,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C2HO3(990) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {6,S} +5 C u1 p0 c0 {1,S} {3,D} +6 H u0 p0 c0 {4,S} + +O[C](O)O(1021) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {4,S} {7,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +CHO4(989) +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 O u0 p2 c0 {1,S} {6,S} +3 O u1 p2 c0 {5,S} +4 O u0 p2 c0 {5,D} +5 C u0 p0 c0 {1,S} {3,S} {4,D} +6 H u0 p0 c0 {2,S} + +HO2CHO(68) +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {6,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {3,D} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {2,S} + +CH2OH(26) +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} + +CO3(1034) +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {4,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {2,S} {3,D} + +HOCH2O(38) +multiplicity 2 +1 O u0 p2 c0 {3,S} {6,S} +2 O u1 p2 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {1,S} + +[CH]1OO1(971) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {3,S} +3 C u1 p0 c0 {1,S} {2,S} {4,S} +4 H u0 p0 c0 {3,S} + +[O]C(O)O(972) +multiplicity 2 +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u1 p2 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} + +O-2(1040) +1 O u0 p3 c0 + +O[C]1OO1(1008) +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {4,S} +3 O u0 p2 c0 {4,S} {5,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {3,S} + +CH3O(27) +multiplicity 2 +1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +[O]C1(O)OO1(997) +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 O u0 p2 c0 {1,S} {5,S} +3 O u0 p2 c0 {5,S} {6,S} +4 O u1 p2 c0 {5,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +6 H u0 p0 c0 {3,S} + +C2HO2(1001) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u1 p0 c0 {1,S} {4,S} {5,S} +4 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} + +OC1OO1(1047) +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {4,S} +3 O u0 p2 c0 {4,S} {6,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {3,S} + +O2CHO(67) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 O u1 p2 c0 {1,S} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 H u0 p0 c0 {4,S} + +CH3CO(47) +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u1 p0 c0 {1,D} {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +CH3OH(25) +1 O u0 p2 c0 {2,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} + +C2O2(1002) +1 O u0 p2 c0 {3,D} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,D} {4,D} +4 C u0 p0 c0 {2,D} {3,D} + +C2H3O2(1042) +multiplicity 2 +1 O u0 p2 c0 {3,S} {7,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u1 p0 c0 {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {1,S} + +C2HO3(1028) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} + +CH2(S)(22) +1 C u0 p1 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +CH2(21) +multiplicity 3 +1 C u2 p0 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +CH3O4(1023) +multiplicity 2 +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {8,S} +3 O u0 p2 c0 {5,S} {7,S} +4 O u1 p2 c0 {5,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} + +OC(O)(O)O(1071) +1 O u0 p2 c0 {5,S} {6,S} +2 O u0 p2 c0 {5,S} {8,S} +3 O u0 p2 c0 {5,S} {7,S} +4 O u0 p2 c0 {5,S} {9,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} + +C2HO3(993) +multiplicity 2 +1 O u1 p2 c0 {5,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {2,D} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} + +C2HO3(1015) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {1,S} {2,S} {5,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {2,S} + +C2H2O3(976) +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} + +C2HO3(1027) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {5,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {1,S} {2,S} {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,D} +6 H u0 p0 c0 {4,S} + +CHO3(1009) +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {5,S} +3 O u0 p2 c0 {4,D} +4 C u1 p0 c0 {1,S} {3,D} +5 H u0 p0 c0 {2,S} + +O2CCHOOJ(347) +multiplicity 2 +1 O u0 p2 c0 {5,S} {7,S} +2 O u0 p2 c0 {5,D} +3 O u1 p2 c0 {6,S} +4 O u0 p2 c0 {6,D} +5 C u0 p0 c0 {1,S} {2,D} {6,S} +6 C u0 p0 c0 {3,S} {4,D} {5,S} +7 H u0 p0 c0 {1,S} + +OO[C](O)O(1010) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {5,S} {6,S} +3 O u0 p2 c0 {5,S} {7,S} +4 O u0 p2 c0 {1,S} {8,S} +5 C u1 p0 c0 {1,S} {2,S} {3,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} + +OCHCHO(52) +1 O u0 p2 c0 {3,D} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,D} {4,S} {5,S} +4 C u0 p0 c0 {2,D} {3,S} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} + +CH2CO(30) +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +[O]C1OO1(1041) +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {4,S} +3 O u1 p2 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} + +CHCHO(51) +multiplicity 3 +1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u1 p0 c0 {2,D} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} + +C2H2O(1085) +1 O u0 p2 c0 {2,S} {3,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {1,S} {2,D} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} + +CH3CO2(73) +multiplicity 2 +1 O u1 p2 c0 {4,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H2O2(1070) +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +OCO(1022) +1 O u0 p2 c0 {3,S} {6,S} +2 O u0 p2 c0 {3,S} {7,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} + +HCOH(28) +1 O u0 p1 c+1 {2,D} {4,S} +2 C u0 p1 c-1 {1,D} {3,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {1,S} + +C2H2O3(977) +1 O u0 p2 c0 {4,S} {7,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 C u0 p0 c0 {3,D} {4,S} {6,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {1,S} + +C2HO3(1017) +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {6,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {1,S} {5,D} +5 C u0 p0 c0 {3,D} {4,D} +6 H u0 p0 c0 {2,S} + +HCCO(53) +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 C u1 p0 c0 {3,D} {4,S} +3 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} + +CH(23) +multiplicity 2 +1 C u1 p1 c0 {2,S} +2 H u0 p0 c0 {1,S} + +OC1(O)OO1(1081) +1 O u0 p2 c0 {2,S} {5,S} +2 O u0 p2 c0 {1,S} {5,S} +3 O u0 p2 c0 {5,S} {6,S} +4 O u0 p2 c0 {5,S} {7,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2O3(1069) +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,D} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,D} {5,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} + +CH3OCO(98) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +4 C u1 p0 c0 {1,S} {2,D} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +OC(O)O(1039) +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {4,S} {8,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H2O3(978) +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p1 c+1 {1,S} {5,D} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {3,D} {6,S} +5 C u0 p1 c-1 {2,D} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} + +cC2H3O(61) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u1 p0 c0 {1,S} {2,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + +O[CH]OO(1038) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {1,S} {7,S} +4 C u1 p0 c0 {1,S} {2,S} {5,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +Ar(14) +1 Ar u0 p4 c0 + +[O]OC(O)O(973) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {5,S} {8,S} +3 O u0 p2 c0 {5,S} {7,S} +4 O u1 p2 c0 {1,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} + +C2HO3(1055) +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 O u0 p2 c0 {1,S} {4,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {2,S} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} + +CH2CHO(45) +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 C u1 p0 c0 {3,S} {4,S} {5,S} +3 C u0 p0 c0 {1,D} {2,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + +C2H3O3(1011) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {1,S} {2,S} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {2,S} + +OCH2CHO(510) +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u0 p0 c0 {2,D} {3,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2H2O(1080) +1 O u0 p2 c0 {2,D} +2 C u0 p0 c0 {1,D} {3,S} {4,S} +3 C u0 p1 c0 {2,S} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} + +[O]C#CO(1004) +multiplicity 2 +1 O u0 p2 c0 {3,S} {5,S} +2 O u1 p2 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {2,S} {3,T} +5 H u0 p0 c0 {1,S} + +OO[C]1OO1(1048) +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 O u0 p2 c0 {1,S} {5,S} +3 O u0 p2 c0 {4,S} {5,S} +4 O u0 p2 c0 {3,S} {6,S} +5 C u1 p0 c0 {1,S} {2,S} {3,S} +6 H u0 p0 c0 {4,S} + +C2H3O3(1032) +multiplicity 2 +1 O u0 p2 c0 {4,S} {7,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u1 p0 c0 {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2H3O2(1088) +multiplicity 2 +1 O u0 p2 c0 {3,S} {7,S} +2 O u0 p2 c0 {3,D} +3 C u0 p0 c0 {1,S} {2,D} {4,S} +4 C u1 p0 c0 {3,S} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {1,S} + +O1[C]2OC12(1049) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {3,S} {4,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {3,S} + +CH2OOH(37) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u0 p2 c0 {1,S} {6,S} +3 C u1 p0 c0 {1,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {2,S} + +OOC(O)O(1086) +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {5,S} {8,S} +4 O u0 p2 c0 {1,S} {9,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} + +[O]C(O)OO(975) +multiplicity 2 +1 O u0 p2 c0 {3,S} {5,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {1,S} {8,S} +4 O u1 p2 c0 {5,S} +5 C u0 p0 c0 {1,S} {2,S} {4,S} {6,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H4O2(1024) +1 O u0 p2 c0 {4,S} {8,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {1,S} + +CH2OCHO(97) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u1 p0 c0 {1,S} {5,S} {6,S} +4 C u0 p0 c0 {1,S} {2,D} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2H2O3(1031) +1 O u0 p2 c0 {4,S} {6,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,D} +5 C u0 p0 c0 {3,D} {4,D} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} + +C2H3O3(1043) +multiplicity 2 +1 O u0 p2 c0 {4,S} {8,S} +2 O u1 p2 c0 {5,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +5 C u0 p0 c0 {2,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {1,S} + +CH3CHO(40) +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,D} {2,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C2H2O2(1030) +1 O u0 p2 c0 {3,S} {6,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,D} {5,S} +4 C u0 p0 c0 {2,D} {3,D} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {1,S} + +C2H3O(1084) +multiplicity 2 +1 O u0 p2 c0 {3,S} {6,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 C u1 p0 c0 {1,S} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} + +C2H3O3(1053) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u1 p2 c0 {5,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +5 C u0 p0 c0 {1,S} {2,S} {3,D} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} + +C(33) +multiplicity 3 +1 C u2 p1 c0 + +O[C]1CO1(1093) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,S} {7,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {2,S} + +[O]C1CO1(1094) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u1 p2 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +CH2CHOH(48) +1 O u0 p2 c0 {2,S} {7,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {2,D} {5,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {1,S} + +C2HO3(1068) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {5,S} +3 O u1 p2 c0 {5,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +6 H u0 p0 c0 {4,S} + +He(15) +1 He u0 p1 c0 + +CH3CH2O(41) +multiplicity 2 +1 O u1 p2 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +HOCH2OCO(96) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +5 C u1 p0 c0 {1,S} {3,D} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {2,S} + +C2HO3(1072) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {5,S} +3 O u0 p2 c0 {4,S} {6,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 C u1 p0 c0 {1,S} {2,S} {4,S} +6 H u0 p0 c0 {3,S} + +C2H3O3(1066) +multiplicity 2 +1 O u0 p2 c0 {4,S} {8,S} +2 O u0 p2 c0 {5,S} {7,S} +3 O u0 p2 c0 {5,D} +4 C u1 p0 c0 {1,S} {5,S} {6,S} +5 C u0 p0 c0 {2,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} + +C2H4O2(1056) +1 O u0 p2 c0 {3,S} {8,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u0 p0 c0 {2,D} {3,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {1,S} + +CHCHOH(55) +multiplicity 2 +1 O u0 p2 c0 {2,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u1 p0 c0 {2,D} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {1,S} + +C2H3O2(1046) +multiplicity 2 +1 O u0 p2 c0 {3,S} {7,S} +2 O u0 p2 c0 {4,D} +3 C u1 p0 c0 {1,S} {4,S} {5,S} +4 C u0 p0 c0 {2,D} {3,S} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {1,S} + +OC1[CH]O1(1140) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {3,S} {7,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 C u1 p0 c0 {1,S} {3,S} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} + +C2H3O3(1012) +multiplicity 2 +1 O u0 p2 c0 {4,S} {8,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u0 p0 c0 {3,D} {4,S} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {1,S} + +HOCH2O2H(71) +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {1,S} {8,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H4(24) +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +C2H2O(1117) +1 O u0 p2 c0 {2,S} {5,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p1 c0 {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} + +HCCOH(54) +1 O u0 p2 c0 {2,S} {5,S} +2 C u0 p0 c0 {1,S} {3,T} +3 C u0 p0 c0 {2,T} {4,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {1,S} + +[CH]C(1161) +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p1 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C2H2(34) +1 C u0 p0 c0 {2,T} {3,S} +2 C u0 p0 c0 {1,T} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +C2H3(32) +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u1 p0 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +C2O(57) +multiplicity 3 +1 O u0 p2 c0 {2,D} +2 C u0 p0 c0 {1,D} {3,D} +3 C u2 p0 c0 {2,D} + +CH3OO(29) +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +H2CC(46) +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p1 c0 {1,D} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +OCH2OCHO(93) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +5 C u0 p0 c0 {1,S} {3,D} {8,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} + +[O]C1OC1O(1092) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u1 p2 c0 {5,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {3,S} {4,S} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {2,S} + +C2H5(31) +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3O3(1029) +multiplicity 2 +1 O u0 p2 c0 {5,S} {8,S} +2 O u1 p2 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {1,S} + +C2H4O2(1116) +1 O u0 p2 c0 {3,S} {8,S} +2 O u0 p2 c0 {3,S} {7,S} +3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 C u0 p0 c0 {3,D} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} + +CH3OCHO(95) +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} + +OCH2O2H(69) +multiplicity 2 +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {7,S} +3 O u1 p2 c0 {4,S} +4 C u0 p0 c0 {1,S} {3,S} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} + +C2H3O3(1033) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {2,S} {3,D} +5 C u1 p0 c0 {1,S} {6,S} {7,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {2,S} + +C2H(35) +multiplicity 2 +1 C u0 p0 c0 {2,T} {3,S} +2 C u1 p0 c0 {1,T} +3 H u0 p0 c0 {1,S} + +C2H3O3(1100) +multiplicity 2 +1 O u0 p2 c0 {4,S} {7,S} +2 O u0 p2 c0 {4,S} {8,S} +3 O u1 p2 c0 {5,S} +4 C u0 p0 c0 {1,S} {2,S} {5,D} +5 C u0 p0 c0 {3,S} {4,D} {6,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +O[C]1OC1O(1125) +multiplicity 2 +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {5,S} {8,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u1 p0 c0 {1,S} {3,S} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H2O3(992) +1 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {5,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +5 C u0 p0 c0 {2,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +HOCH2O2(70) +multiplicity 2 +1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u1 p2 c0 {1,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} + +C2H2O3(1097) +1 O u0 p2 c0 {4,S} {5,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} + diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/input.py b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/input.py new file mode 100644 index 00000000..7d81eeca --- /dev/null +++ b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/iteration_1/RMG/input.py @@ -0,0 +1,446 @@ +database( + thermoLibraries=['primaryThermoLibrary', 'BurkeH2O2', 'thermo_DFT_CCSDTF12_BAC', 'DFT_QCI_thermo', 'Spiekermann_refining_elementary_reactions', 'CurranPentane', 'CBS_QB3_1dHR', 'primaryNS'], + reactionLibraries=['primaryH2O2', 'NOx2018', '2006_Joshi_OH_CO', 'CurranPentane', 'Klippenstein_Glarborg2016', 'C2H4+O_Klipp2017', 'FFCM1(-)', 'C2H2_init', 'Narayanaswamy', 'Mebel_C6H5_C2H2', 'C10H11', 'C12H11_pdep', 'Lai_Hexylbenzene', '1989_Stewart_2CH3_to_C2H5_H', '2001_Tokmakov_H_Toluene_to_CH3_Benzene', '2003_Miller_Propargyl_Recomb_High_P', '2005_Senosiain_OH_C2H2', 'kislovB', 'c-C5H5_CH3_Sharma', 'fascella', '2006_Joshi_OH_CO', '2009_Sharma_C5H5_CH3_highP', '2015_Buras_C2H3_C4H6_highP', 'C3', 'Methylformate', 'C6H5_C4H4_Mebel', 'vinylCPD_H', 'Mebel_Naphthyl', 'Fulvene_H'], + transportLibraries=['OneDMinN2', 'PrimaryTransportLibrary', 'NOx2018', 'GRI-Mech'], + seedMechanisms=[], + kineticsDepositories='default', + kineticsFamilies='default', + kineticsEstimator='rate rules', +) + +species( + label='FA', + reactive=True, + structure=SMILES('OC=O'), +) + +species( + label='N2', + reactive=False, + structure=SMILES('N#N'), +) + +species( + label='O2', + reactive=True, + structure=SMILES('[O][O]'), +) + +species( + label='H', + reactive=True, + structure=SMILES('[H]'), +) + +species( + label='H2', + reactive=True, + structure=SMILES('[H][H]'), +) + +species( + label='CO2', + reactive=True, + structure=SMILES('O=C=O'), +) + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(500.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(1250.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(1.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(10.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'O2': 1.0, + 'FA': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'N2': 3.76, + 'FA': 2.5, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + + +simpleReactor( + temperature=(2000.0, 'K'), + pressure=(100.0, 'bar'), + initialMoleFractions={ + 'FA': 4.0, + 'N2': 3.76, + 'O2': 1.0, + }, + terminationTime=(60.0, 's'), + nSims=12, +) + +model( + toleranceMoveToCore=0.2, + toleranceInterruptSimulation=0.2, + filterReactions=True, + filterThreshold=100000000.0, + maxNumObjsPerIter=1, + terminateAtMaxObjects=False, +) + +simulator(atol=1e-16, rtol=1e-08, sens_atol=1e-06, sens_rtol=0.0001) + +pressureDependence( + method='modified strong collision', + maximumGrainSize=(2.0, 'kJ/mol'), + minimumNumberOfGrains=250, + temperatures=(300, 2500, 'K', 10), + pressures=(0.1, 110, 'bar', 10), + interpolation=('Chebyshev', 6, 4), + maximumAtoms=16, +) + +options( + name='Seed', + generateSeedEachIteration=True, + saveSeedToDatabase=False, + units='si', + generateOutputHTML=True, + generatePlots=False, + saveSimulationProfiles=True, + verboseComments=False, + saveEdgeSpecies=False, + keepIrreversible=False, + trimolecularProductReversible=True, + wallTime='00:00:00:00', + saveSeedModulus=-1, +) + +generatedSpeciesConstraints( + allowed=['input species', 'seed mechanisms', 'reaction libraries'], + maximumCarbonAtoms=2, + maximumOxygenAtoms=4, + maximumNitrogenAtoms=0, + maximumSiliconAtoms=0, + maximumSulfurAtoms=0, + maximumHeavyAtoms=5, + maximumRadicalElectrons=1, + maximumSingletCarbenes=1, + maximumCarbeneRadicals=0, + allowSingletO2=True, +) diff --git a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/t3.log b/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/t3.log deleted file mode 100644 index 0b46f358..00000000 --- a/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c/t3.log +++ /dev/null @@ -1,74 +0,0 @@ -T3 execution initiated on Tue Aug 15 16:39:28 2023 - -################################################################ -# # -# The Tandem Tool (T3) # -# for automated chemical kinetic model development # -# # -# Version: 0.1.0 # -# # -################################################################ - - -The current git HEAD for T3 is: - a29e9884c7ce4b6c99ade2c31c9fba2202947440 - Tue Aug 15 16:11:06 2023 +0300 - (running on the c_conc_in_sim branch) - -Starting project xfa1014 - - -Using the following arguments: - -project: xfa1014 -project_directory: /home/alon/Code/T3/tests/test_simulate_adapters/data/rmg_simulator_test_ranges_3c -verbose: info -t3: - options: - all_core_species: True - max_T3_iterations: 5 - max_RMG_exceptions_allowed: 5 - library_name: FA - sensitivity: - adapter: RMGConstantTP - SA_threshold: 0.01 - pdep_SA_threshold: 0.001 - ME_methods: ['MSC'] - top_SA_reactions: 0 -rmg: - database: - thermo_libraries: ['primaryThermoLibrary', 'BurkeH2O2', 'thermo_DFT_CCSDTF12_BAC', 'DFT_QCI_thermo', 'Spiekermann_refining_elementary_reactions', 'CurranPentane', 'CBS_QB3_1dHR', 'primaryNS'] - kinetics_libraries: ['primaryH2O2', 'NOx2018', '2006_Joshi_OH_CO', 'CurranPentane', 'Klippenstein_Glarborg2016', 'C2H4+O_Klipp2017', 'FFCM1(-)', 'C2H2_init', 'Narayanaswamy', 'Mebel_C6H5_C2H2', 'C10H11', 'C12H11_pdep', 'Lai_Hexylbenzene', '1989_Stewart_2CH3_to_C2H5_H', '2001_Tokmakov_H_Toluene_to_CH3_Benzene', '2003_Miller_Propargyl_Recomb_High_P', '2005_Senosiain_OH_C2H2', 'kislovB', 'c-C5H5_CH3_Sharma', 'fascella', '2006_Joshi_OH_CO', '2009_Sharma_C5H5_CH3_highP', '2015_Buras_C2H3_C4H6_highP', 'C3', 'Methylformate', 'C6H5_C4H4_Mebel', 'vinylCPD_H', 'Mebel_Naphthyl', 'Fulvene_H'] - reactors: [{'type': 'gas batch constant T P', 'T': [500.0, 2000.0], 'P': [1.0, 100.0], 'termination_time': (60.0, 's')}] - species: [{'label': 'FA', 'concentration': (1.0, 4.0), 'smiles': 'OC=O', 'observable': True}, {'label': 'N2', 'concentration': 3.76, 'smiles': 'N#N', 'reactive': False}, {'label': 'O2', 'concentration': 1.0, 'smiles': '[O][O]'}, {'label': 'OH', 'smiles': '[OH]', 'observable': True}, {'label': 'HO2', 'smiles': 'O[O]', 'observable': True}, {'label': 'H', 'smiles': '[H]', 'observable': True}, {'label': 'H2', 'smiles': '[H][H]', 'observable': True}, {'label': 'CH3', 'smiles': '[CH3]', 'observable': True}, {'label': 'CO', 'smiles': '[C-]#[O+]', 'observable': True}, {'label': 'CO2', 'smiles': 'O=C=O', 'observable': True}, {'label': 'HOCO', 'smiles': 'O[C]=O', 'observable': True}, {'label': 'OCHO', 'smiles': '[O]C=O', 'observable': True}, {'label': 'CH2O', 'smiles': 'C=O', 'observable': True}, {'label': 'HCO', 'smiles': '[CH]=O', 'observable': True}] - model: - core_tolerance: [0.2, 0.1, 0.05, 0.01, 0.001] - pdep: - method: MSC - max_grain_size: 2.0 - max_number_of_grains: 250 - T: [300, 2500, 10] - P: [0.1, 110, 10] - interpolation: Chebyshev - options: - save_edge: False - save_html: True - save_simulation_profiles: True - species_constraints: - allowed: ['input species', 'seed mechanisms', 'reaction libraries'] - max_C_atoms: 2 - max_O_atoms: 4 - max_N_atoms: 0 - max_Si_atoms: 0 - max_S_atoms: 0 - max_heavy_atoms: 5 - max_radical_electrons: 1 - max_singlet_carbenes: 1 - max_carbene_radicals: 0 -qm: - adapter: ARC - job_types: - rotors: False - level_of_theory: CBS-QB3 - -Running a simulation using RMGConstantTP... diff --git a/tests/test_simulate_adapters/test_rmg_constantTP.py b/tests/test_simulate_adapters/test_rmg_constantTP.py index bc7cd25f..d26827b7 100755 --- a/tests/test_simulate_adapters/test_rmg_constantTP.py +++ b/tests/test_simulate_adapters/test_rmg_constantTP.py @@ -8,6 +8,8 @@ import os import shutil +from arc.common import read_yaml_file + from t3.common import SIMULATE_DATA_BASE_PATH from tests.common import run_minimal from t3.main import T3 @@ -17,6 +19,7 @@ TEST_DIR_1 = os.path.join(SIMULATE_DATA_BASE_PATH, 'rmg_simulator_test') TEST_DIR_2 = os.path.join(SIMULATE_DATA_BASE_PATH, 'rmg_simulator_test_ranges_3a') TEST_DIR_3 = os.path.join(SIMULATE_DATA_BASE_PATH, 'rmg_simulator_test_ranges_3b') +TEST_DIR_4 = os.path.join(SIMULATE_DATA_BASE_PATH, 'rmg_simulator_test_ranges_3c') RANGED_INPUT_DICT_1 = {'verbose': 10, 'project_directory': TEST_DIR_2, 'project': 'test_get_species_concentration_lists_from_ranged_params_case_3a', 't3': {'options': {'max_T3_iterations': 2, 'max_RMG_walltime': '00:00:05:00'}, @@ -36,6 +39,7 @@ 'model': {'core_tolerance': [0.01, 0.001]}}, 'qm': {'adapter': 'ARC', 'level_of_theory': 'b3lyp/6-31g(d,p)'}} + def test_set_up_no_sa(): """ Run RMG's minimal example without SA by testing the `set_up` method within the RMGSimulator init method. @@ -179,22 +183,71 @@ def test_get_species_concentration_lists_from_ranged_params_case_3(): {'label': 'N2', 'concentration': 3.76}, {'label': 'O2', 'concentration': 1.0}]] + input_dict = RANGED_INPUT_DICT_1.copy() + input_dict['rmg']['species'] = [ + {'label': 'fuel', 'smiles': 'CC', 'concentration': 1, 'reactive': True, 'balance': False}, + {'label': 'O2', 'smiles': '[O][O]', 'concentration': [3.75, 11.25], 'reactive': True, 'balance': False}, + {'label': 'N2', 'smiles': 'N#N', 'concentration': [14.1, 42.3], 'reactive': False, 'balance': False}] + input_dict['t3']['options']['modify_concentration_ranges_together'] = False + input_dict['t3']['options']['modify_concentration_ranges_in_reverse'] = False + t3 = T3(**input_dict) + t3.iteration = 1 + t3.set_paths() + rmg_simulator_adapter = RMGConstantTP(t3=t3.t3, + rmg=t3.rmg, + paths=t3.paths, + logger=t3.logger, + atol=t3.rmg['model']['atol'], + rtol=t3.rmg['model']['rtol'], + observable_list=list(), + ) + species_lists = rmg_simulator_adapter.get_species_concentration_lists_from_ranged_params() + assert len(species_lists) == 9 + assert len(species_lists[0]) == 19 + + +def test_run_sa_via_rmg(): + """Test running sensitivity analysis via RMG""" + input_dict = read_yaml_file(os.path.join(TEST_DIR_4, 'input.yml')) + input_dict['project_directory'] = TEST_DIR_4 + t3_object = T3(**input_dict) + t3_object.iteration = 1 + t3_object.set_paths() + t3_object.sa_observables = ['FA'] + simulate_adapter = RMGConstantTP(t3=t3_object.t3, + rmg=t3_object.rmg, + paths=t3_object.paths, + logger=t3_object.logger, + atol=t3_object.rmg['model']['atol'], + rtol=t3_object.rmg['model']['rtol'], + observable_list=t3_object.sa_observables, + sa_atol=t3_object.t3['sensitivity']['atol'], + sa_rtol=t3_object.t3['sensitivity']['rtol'], + global_observables=None, + ) + simulate_adapter.simulate() + t3_object.sa_dict = simulate_adapter.get_sa_coefficients() + assert list(t3_object.sa_dict.keys()) == ['kinetics', 'thermo', 'time'] + assert list(t3_object.sa_dict['kinetics'].keys()) == ['FA(1)'] + assert list(t3_object.sa_dict['thermo'].keys()) == ['FA(1)'] + def teardown_module(): """ A method that is run after all unit tests in this class. Delete all project directories created during these unit tests """ - for test_dir in [TEST_DIR_1, TEST_DIR_2, TEST_DIR_3]: - solver_directory = os.path.join(test_dir, 'iteration_1', 'RMG', 'solver') - species_directory = os.path.join(test_dir, 'iteration_1', 'RMG', 'species') - sa_directory = os.path.join(test_dir, 'iteration_1', 'SA') - log_archive = os.path.join(test_dir, 'log_archive') - dirs = [solver_directory, species_directory, sa_directory, log_archive] - for dir in dirs: - if os.path.isdir(dir): - shutil.rmtree(dir, ignore_errors=True) - files = [os.path.join(test_dir, 't3.log')] - for file in files: - if os.path.isfile(file): - os.remove(file) + for test_dir in [TEST_DIR_1, TEST_DIR_2, TEST_DIR_3, TEST_DIR_4]: + for i in [0, 1]: + solver_directory = os.path.join(test_dir, f'iteration_{i}', 'RMG', 'solver') + species_directory = os.path.join(test_dir, f'iteration_{i}', 'RMG', 'species') + sa_directory = os.path.join(test_dir, f'iteration_{i}', 'SA') + log_archive = os.path.join(test_dir, 'log_archive') + dirs = [solver_directory, species_directory, sa_directory, log_archive] + for dir in dirs: + if os.path.isdir(dir): + shutil.rmtree(dir, ignore_errors=True) + files = [os.path.join(test_dir, 't3.log')] + for file in files: + if os.path.isfile(file): + os.remove(file) From 03c87b7dacba360e5e1a2d30ab8804df59934768 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Thu, 2 May 2024 11:33:42 +0300 Subject: [PATCH 7/7] Use the existing SA path in rmg_constantTP adatper --- t3/simulate/rmg_constantTP.py | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/t3/simulate/rmg_constantTP.py b/t3/simulate/rmg_constantTP.py index 71e53cb2..88f4cf2c 100755 --- a/t3/simulate/rmg_constantTP.py +++ b/t3/simulate/rmg_constantTP.py @@ -235,17 +235,16 @@ def get_sa_coefficients(self) -> Optional[dict]: sa_dict (Optional[dict]): An SA dictionary, structure is given in the docstring for T3/t3/main.py """ chem_to_rmg_rxn_index_map = get_chem_to_rmg_rxn_index_map(chem_annotated_path=self.paths['chem annotated']) - solver_path = os.path.join(self.paths['SA'], 'solver') - if not os.path.exists(solver_path): - self.logger.error("Could not find the path to RMG's SA solver output folder.") + if not os.path.exists(self.paths['SA solver']): + self.logger.error(f"Could not find the path to RMG's SA solver output folder:\n{self.paths['SA solver']}.") return None sa_files = list() - for file_ in os.listdir(solver_path): + for file_ in os.listdir(self.paths['SA solver']): if 'sensitivity' in file_ and file_.endswith(".csv"): sa_files.append(file_) sa_dict = {'kinetics': dict(), 'thermo': dict(), 'time': list()} for sa_file in sa_files: - df = pd.read_csv(os.path.join(solver_path, sa_file)) + df = pd.read_csv(os.path.join(self.paths['SA solver'], sa_file)) for header in df.columns: sa_type = None if 'Time' in header: