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[Data] Remove optional 'three-body' in type field
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ischoegl committed Jul 10, 2022
1 parent 29e2a0b commit 7b6258d
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Showing 14 changed files with 0 additions and 63 deletions.
2 changes: 0 additions & 2 deletions data/air.yaml
Expand Up @@ -158,7 +158,6 @@ species:

reactions:
- equation: 2 O + M <=> O2 + M # Reaction 1
type: three-body
rate-constant: {A: 1.2e+17, b: -1.0, Ea: 0.0}
efficiencies: {AR: 0.83}
- equation: N + NO <=> N2 + O # Reaction 2
Expand All @@ -175,7 +174,6 @@ reactions:
high-P-rate-constant: {A: 7.91e+10, b: 0.0, Ea: 5.602e+04}
efficiencies: {AR: 0.625}
- equation: NO + O + M <=> NO2 + M # Reaction 7
type: three-body
rate-constant: {A: 1.06e+20, b: -1.41, Ea: 0.0}
efficiencies: {AR: 0.7}
- equation: NO2 + O <=> NO + O2 # Reaction 8
Expand Down
12 changes: 0 additions & 12 deletions data/gri30.yaml
Expand Up @@ -952,12 +952,10 @@ species:

reactions:
- equation: 2 O + M <=> O2 + M # Reaction 1
type: three-body
rate-constant: {A: 1.2e+17, b: -1.0, Ea: 0.0}
efficiencies: {H2: 2.4, H2O: 15.4, CH4: 2.0, CO: 1.75, CO2: 3.6, C2H6: 3.0,
AR: 0.83}
- equation: O + H + M <=> OH + M # Reaction 2
type: three-body
rate-constant: {A: 5.0e+17, b: -1.0, Ea: 0.0}
efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
AR: 0.7}
Expand Down Expand Up @@ -1026,7 +1024,6 @@ reactions:
- equation: O2 + CH2O <=> HO2 + HCO # Reaction 32
rate-constant: {A: 1.0e+14, b: 0.0, Ea: 4.0e+04}
- equation: H + O2 + M <=> HO2 + M # Reaction 33
type: three-body
rate-constant: {A: 2.8e+18, b: -0.86, Ea: 0.0}
efficiencies: {O2: 0.0, H2O: 0.0, CO: 0.75, CO2: 1.5, C2H6: 1.5, N2: 0.0,
AR: 0.0}
Expand All @@ -1041,7 +1038,6 @@ reactions:
- equation: H + O2 <=> O + OH # Reaction 38
rate-constant: {A: 2.65e+16, b: -0.6707, Ea: 1.7041e+04}
- equation: 2 H + M <=> H2 + M # Reaction 39
type: three-body
rate-constant: {A: 1.0e+18, b: -1.0, Ea: 0.0}
efficiencies: {H2: 0.0, H2O: 0.0, CH4: 2.0, CO2: 0.0, C2H6: 3.0, AR: 0.63}
- equation: 2 H + H2 <=> 2 H2 # Reaction 40
Expand All @@ -1051,7 +1047,6 @@ reactions:
- equation: 2 H + CO2 <=> H2 + CO2 # Reaction 42
rate-constant: {A: 5.5e+20, b: -2.0, Ea: 0.0}
- equation: H + OH + M <=> H2O + M # Reaction 43
type: three-body
rate-constant: {A: 2.2e+22, b: -2.0, Ea: 0.0}
efficiencies: {H2: 0.73, H2O: 3.65, CH4: 2.0, C2H6: 3.0, AR: 0.38}
- equation: H + HO2 <=> O + H2O # Reaction 44
Expand Down Expand Up @@ -1395,7 +1390,6 @@ reactions:
- equation: HCO + H2O <=> H + CO + H2O # Reaction 166
rate-constant: {A: 1.5e+18, b: -1.0, Ea: 1.7e+04}
- equation: HCO + M <=> H + CO + M # Reaction 167
type: three-body
rate-constant: {A: 1.87e+17, b: -1.0, Ea: 1.7e+04}
efficiencies: {H2: 2.0, H2O: 0.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0}
- equation: HCO + O2 <=> HO2 + CO # Reaction 168
Expand Down Expand Up @@ -1446,7 +1440,6 @@ reactions:
- equation: HO2 + NO <=> NO2 + OH # Reaction 186
rate-constant: {A: 2.11e+12, b: 0.0, Ea: -480.0}
- equation: NO + O + M <=> NO2 + M # Reaction 187
type: three-body
rate-constant: {A: 1.06e+20, b: -1.41, Ea: 0.0}
efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
AR: 0.7}
Expand Down Expand Up @@ -1485,7 +1478,6 @@ reactions:
- equation: NNH <=> N2 + H # Reaction 204
rate-constant: {A: 3.3e+08, b: 0.0, Ea: 0.0}
- equation: NNH + M <=> N2 + H + M # Reaction 205
type: three-body
rate-constant: {A: 1.3e+14, b: -0.11, Ea: 4980.0}
efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
AR: 0.7}
Expand All @@ -1502,7 +1494,6 @@ reactions:
- equation: NNH + CH3 <=> CH4 + N2 # Reaction 211
rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0}
- equation: H + NO + M <=> HNO + M # Reaction 212
type: three-body
rate-constant: {A: 4.48e+19, b: -1.32, Ea: 740.0}
efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
AR: 0.7}
Expand Down Expand Up @@ -1535,7 +1526,6 @@ reactions:
- equation: NCO + O2 <=> NO + CO2 # Reaction 226
rate-constant: {A: 2.0e+12, b: 0.0, Ea: 2.0e+04}
- equation: NCO + M <=> N + CO + M # Reaction 227
type: three-body
rate-constant: {A: 3.1e+14, b: 0.0, Ea: 5.405e+04}
efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
AR: 0.7}
Expand All @@ -1544,7 +1534,6 @@ reactions:
- equation: NCO + NO <=> N2 + CO2 # Reaction 229
rate-constant: {A: 3.8e+18, b: -2.0, Ea: 800.0}
- equation: HCN + M <=> H + CN + M # Reaction 230
type: three-body
rate-constant: {A: 1.04e+29, b: -3.3, Ea: 1.266e+05}
efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
AR: 0.7}
Expand Down Expand Up @@ -1634,7 +1623,6 @@ reactions:
- equation: HNCO + OH <=> NH2 + CO2 # Reaction 268
rate-constant: {A: 3.3e+06, b: 1.5, Ea: 3600.0}
- equation: HNCO + M <=> NH + CO + M # Reaction 269
type: three-body
rate-constant: {A: 1.18e+16, b: 0.0, Ea: 8.472e+04}
efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
AR: 0.7}
Expand Down
12 changes: 0 additions & 12 deletions data/gri30_highT.yaml
Expand Up @@ -936,12 +936,10 @@ species:

reactions:
- equation: 2 O + M <=> O2 + M # Reaction 1
type: three-body
rate-constant: {A: 1.2e+17, b: -1, Ea: 0}
efficiencies: {AR: 0.83, C2H6: 3, CH4: 2, CO: 1.75, CO2: 3.6, H2: 2.4,
H2O: 15.4}
- equation: O + H + M <=> OH + M # Reaction 2
type: three-body
rate-constant: {A: 5.0e+17, b: -1, Ea: 0}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: O + H2 <=> H + OH # Reaction 3
Expand Down Expand Up @@ -1009,7 +1007,6 @@ reactions:
- equation: O2 + CH2O <=> HO2 + HCO # Reaction 32
rate-constant: {A: 1.0e+14, b: 0, Ea: 40000}
- equation: H + O2 + M <=> HO2 + M # Reaction 33
type: three-body
rate-constant: {A: 2.8e+18, b: -0.86, Ea: 0}
efficiencies: {AR: 0, C2H6: 1.5, CO: 0.75, CO2: 1.5, H2O: 0, N2: 0, O2: 0}
- equation: H + 2 O2 <=> HO2 + O2 # Reaction 34
Expand All @@ -1023,7 +1020,6 @@ reactions:
- equation: H + O2 <=> O + OH # Reaction 38
rate-constant: {A: 2.65e+16, b: -0.6707, Ea: 17041}
- equation: 2 H + M <=> H2 + M # Reaction 39
type: three-body
rate-constant: {A: 1.0e+18, b: -1, Ea: 0}
efficiencies: {AR: 0.63, C2H6: 3, CH4: 2, CO2: 0, H2: 0, H2O: 0}
- equation: 2 H + H2 <=> 2 H2 # Reaction 40
Expand All @@ -1033,7 +1029,6 @@ reactions:
- equation: 2 H + CO2 <=> H2 + CO2 # Reaction 42
rate-constant: {A: 5.5e+20, b: -2, Ea: 0}
- equation: H + OH + M <=> H2O + M # Reaction 43
type: three-body
rate-constant: {A: 2.2e+22, b: -2, Ea: 0}
efficiencies: {AR: 0.38, C2H6: 3, CH4: 2, H2: 0.73, H2O: 3.65}
- equation: H + HO2 <=> O + H2O # Reaction 44
Expand Down Expand Up @@ -1364,7 +1359,6 @@ reactions:
- equation: HCO + H2O <=> H + CO + H2O # Reaction 166
rate-constant: {A: 1.5e+18, b: -1, Ea: 17000}
- equation: HCO + M <=> H + CO + M # Reaction 167
type: three-body
rate-constant: {A: 1.87e+17, b: -1, Ea: 17000}
efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 0}
- equation: HCO + O2 <=> HO2 + CO # Reaction 168
Expand Down Expand Up @@ -1413,7 +1407,6 @@ reactions:
- equation: HO2 + NO <=> NO2 + OH # Reaction 186
rate-constant: {A: 2.11e+12, b: 0, Ea: -480}
- equation: NO + O + M <=> NO2 + M # Reaction 187
type: three-body
rate-constant: {A: 1.06e+20, b: -1.41, Ea: 0}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: NO2 + O <=> NO + O2 # Reaction 188
Expand Down Expand Up @@ -1451,7 +1444,6 @@ reactions:
- equation: NNH <=> N2 + H # Reaction 204
rate-constant: {A: 3.3e+08, b: 0, Ea: 0}
- equation: NNH + M <=> N2 + H + M # Reaction 205
type: three-body
rate-constant: {A: 1.3e+14, b: -0.11, Ea: 4980}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: NNH + O2 <=> HO2 + N2 # Reaction 206
Expand All @@ -1467,7 +1459,6 @@ reactions:
- equation: NNH + CH3 <=> CH4 + N2 # Reaction 211
rate-constant: {A: 2.5e+13, b: 0, Ea: 0}
- equation: H + NO + M <=> HNO + M # Reaction 212
type: three-body
rate-constant: {A: 4.48e+19, b: -1.32, Ea: 740}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: HNO + O <=> NO + OH # Reaction 213
Expand Down Expand Up @@ -1499,15 +1490,13 @@ reactions:
- equation: NCO + O2 <=> NO + CO2 # Reaction 226
rate-constant: {A: 2.0e+12, b: 0, Ea: 20000}
- equation: NCO + M <=> N + CO + M # Reaction 227
type: three-body
rate-constant: {A: 3.1e+14, b: 0, Ea: 54050}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: NCO + NO <=> N2O + CO # Reaction 228
rate-constant: {A: 1.9e+17, b: -1.52, Ea: 740}
- equation: NCO + NO <=> N2 + CO2 # Reaction 229
rate-constant: {A: 3.8e+18, b: -2, Ea: 800}
- equation: HCN + M <=> H + CN + M # Reaction 230
type: three-body
rate-constant: {A: 1.04e+29, b: -3.3, Ea: 126600}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: HCN + O <=> NCO + H # Reaction 231
Expand Down Expand Up @@ -1594,7 +1583,6 @@ reactions:
- equation: HNCO + OH <=> NH2 + CO2 # Reaction 268
rate-constant: {A: 3.3e+06, b: 1.5, Ea: 3600}
- equation: HNCO + M <=> NH + CO + M # Reaction 269
type: three-body
rate-constant: {A: 1.18e+16, b: 0, Ea: 84720}
efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6}
- equation: HCNO + H <=> H + HNCO # Reaction 270
Expand Down
5 changes: 0 additions & 5 deletions data/h2o2.yaml
Expand Up @@ -191,11 +191,9 @@ species:

reactions:
- equation: 2 O + M <=> O2 + M # Reaction 1
type: three-body
rate-constant: {A: 1.2e+17, b: -1.0, Ea: 0.0}
efficiencies: {H2: 2.4, H2O: 15.4, AR: 0.83}
- equation: O + H + M <=> OH + M # Reaction 2
type: three-body
rate-constant: {A: 5.0e+17, b: -1.0, Ea: 0.0}
efficiencies: {H2: 2.0, H2O: 6.0, AR: 0.7}
- equation: O + H2 <=> H + OH # Reaction 3
Expand All @@ -205,7 +203,6 @@ reactions:
- equation: O + H2O2 <=> OH + HO2 # Reaction 5
rate-constant: {A: 9.63e+06, b: 2.0, Ea: 4000.0}
- equation: H + O2 + M <=> HO2 + M # Reaction 6
type: three-body
rate-constant: {A: 2.8e+18, b: -0.86, Ea: 0.0}
efficiencies: {O2: 0.0, H2O: 0.0, N2: 0.0, AR: 0.0}
- equation: H + 2 O2 <=> HO2 + O2 # Reaction 7
Expand All @@ -219,15 +216,13 @@ reactions:
- equation: H + O2 <=> O + OH # Reaction 11
rate-constant: {A: 2.65e+16, b: -0.6707, Ea: 1.7041e+04}
- equation: 2 H + M <=> H2 + M # Reaction 12
type: three-body
rate-constant: {A: 1.0e+18, b: -1.0, Ea: 0.0}
efficiencies: {H2: 0.0, H2O: 0.0, AR: 0.63}
- equation: 2 H + H2 <=> 2 H2 # Reaction 13
rate-constant: {A: 9.0e+16, b: -0.6, Ea: 0.0}
- equation: 2 H + H2O <=> H2 + H2O # Reaction 14
rate-constant: {A: 6.0e+19, b: -1.25, Ea: 0.0}
- equation: H + OH + M <=> H2O + M # Reaction 15
type: three-body
rate-constant: {A: 2.2e+22, b: -2.0, Ea: 0.0}
efficiencies: {H2: 0.73, H2O: 3.65, AR: 0.38}
- equation: H + HO2 <=> O + H2O # Reaction 16
Expand Down
19 changes: 0 additions & 19 deletions data/nDodecane_Reitz.yaml
Expand Up @@ -2291,20 +2291,16 @@ reactions:
- equation: ch3 + o2 <=> ch3o + o # Reaction 357
rate-constant: {A: 1.995e+18, b: -1.57, Ea: 2.921009e+04}
- equation: ch2 + h + M => ch3 + M # Reaction 358
type: three-body
rate-constant: {A: 2.107e+11, b: 1.0, Ea: -1.961998e+04}
- equation: ch3 + M => ch2 + h + M # Reaction 359
type: three-body
rate-constant: {A: 1.968e+16, b: 0.0, Ea: 9.252008e+04}
- equation: ch3 + oh <=> ch2 + h2o # Reaction 360
rate-constant: {A: 3.0e+06, b: 2.0, Ea: 2500.0}
- equation: ch3 + o2 <=> ch2o + oh # Reaction 361
rate-constant: {A: 7.47e+11, b: 0.0, Ea: 1.425e+04}
- equation: ch3o2 + M => ch3 + o2 + M # Reaction 362
type: three-body
rate-constant: {A: 4.343e+28, b: -3.42, Ea: 3.046989e+04}
- equation: ch3 + o2 + M => ch3o2 + M # Reaction 363
type: three-body
rate-constant: {A: 5.44e+25, b: -3.3, Ea: 0.0}
- equation: ch3o2 + ch3 <=> 2 ch3o # Reaction 364
rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0}
Expand All @@ -2321,10 +2317,8 @@ reactions:
- equation: ch3o + o2 <=> ch2o + ho2 # Reaction 369
rate-constant: {A: 5.5e+10, b: 0.0, Ea: 2424.0}
- equation: ch2o + M => hco + h + M # Reaction 370
type: three-body
rate-constant: {A: 6.283e+29, b: -3.57, Ea: 9.320005e+04}
- equation: hco + h + M => ch2o + M # Reaction 371
type: three-body
rate-constant: {A: 2.66e+24, b: -2.57, Ea: 427.1}
- equation: ch2o + oh <=> hco + h2o # Reaction 372
rate-constant: {A: 3.43e+09, b: 1.18, Ea: -446.94}
Expand All @@ -2349,11 +2343,9 @@ reactions:
- equation: hco + oh <=> co + h2o # Reaction 382
rate-constant: {A: 1.02e+14, b: 0.0, Ea: 0.0}
- equation: hco + M => h + co + M # Reaction 383
type: three-body
rate-constant: {A: 1.86e+17, b: -1.0, Ea: 1.7e+04}
efficiencies: {co: 1.9, co2: 3.8, h2o: 12.0, h2: 2.5}
- equation: h + co + M => hco + M # Reaction 384
type: three-body
rate-constant: {A: 6.467e+13, b: 0.0, Ea: -441.92}
efficiencies: {co: 1.9, co2: 3.8, h2o: 12.0, h2: 2.5}
- equation: hco + h <=> co + h2 # Reaction 385
Expand Down Expand Up @@ -2392,11 +2384,9 @@ reactions:
- equation: h + h2o => oh + h2 # Reaction 400
rate-constant: {A: 9.352e+08, b: 1.51, Ea: 1.858007e+04}
- equation: h + oh + M => h2o + M # Reaction 401
type: three-body
rate-constant: {A: 2.25e+22, b: -2.0, Ea: 0.0}
efficiencies: {co: 1.9, co2: 3.8, h2o: 12.0, h2: 2.5}
- equation: h2o + M => h + oh + M # Reaction 402
type: three-body
rate-constant: {A: 1.837e+27, b: -3.0, Ea: 1.225999e+05}
efficiencies: {co: 1.9, co2: 3.8, h2o: 12.0, h2: 2.5}
- equation: h + o2 (+ M) <=> ho2 (+ M) # Reaction 403
Expand All @@ -2414,27 +2404,21 @@ reactions:
- equation: h2o2 + h <=> h2o + oh # Reaction 407
rate-constant: {A: 2.41e+13, b: 0.0, Ea: 3969.89}
- equation: o + h + M => oh + M # Reaction 408
type: three-body
rate-constant: {A: 4.72e+18, b: -1.0, Ea: 0.0}
efficiencies: {co: 1.9, co2: 3.8, h2o: 12.0, h2: 2.5}
- equation: oh + M => o + h + M # Reaction 409
type: three-body
rate-constant: {A: 3.909e+22, b: -2.0, Ea: 1.0529995e+05}
efficiencies: {co: 1.9, co2: 3.8, h2o: 12.0, h2: 2.5}
- equation: 2 o + M => o2 + M # Reaction 410
type: three-body
rate-constant: {A: 6.17e+15, b: -0.5, Ea: 0.0}
efficiencies: {co: 1.9, co2: 3.8, h2o: 12.0, h2: 2.5}
- equation: o2 + M => 2 o + M # Reaction 411
type: three-body
rate-constant: {A: 6.473e+20, b: -1.5, Ea: 1.215e+05}
efficiencies: {co: 1.9, co2: 3.8, h2o: 12.0, h2: 2.5}
- equation: h2 + M => 2 h + M # Reaction 412
type: three-body
rate-constant: {A: 4.57e+19, b: -1.4, Ea: 1.044001e+05}
efficiencies: {co: 1.9, co2: 3.8, h2o: 12.0, h2: 2.5}
- equation: 2 h + M => h2 + M # Reaction 413
type: three-body
rate-constant: {A: 2.423e+15, b: -0.4, Ea: -3039.91}
efficiencies: {co: 1.9, co2: 3.8, h2o: 12.0, h2: 2.5}
- equation: h2o2 + o <=> oh + ho2 # Reaction 414
Expand Down Expand Up @@ -2462,7 +2446,6 @@ reactions:
- equation: c2h2 + oh <=> c2h + h2o # Reaction 423
rate-constant: {A: 6.0e+13, b: 0.0, Ea: 1.292e+04}
- equation: c2h2 + M <=> c2h + h + M # Reaction 424
type: three-body
rate-constant: {A: 1.14e+17, b: 0.0, Ea: 1.068e+05}
efficiencies: {o2: 0.4, co: 0.75, h2o: 6.5}
- equation: c4h2 + o <=> c3h2 + co # Reaction 425
Expand All @@ -2488,7 +2471,6 @@ reactions:
- equation: c3h3 + oh <=> c3h2 + h2o # Reaction 435
rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
- equation: c4h3 + M <=> c4h2 + h + M # Reaction 436
type: three-body
rate-constant: {A: 1.12e+16, b: 0.0, Ea: 4.651e+04}
efficiencies: {o2: 0.4, co: 0.75, h2o: 6.5}
- equation: c2h2 + ch2 <=> c3h3 + h # Reaction 437
Expand Down Expand Up @@ -2538,7 +2520,6 @@ reactions:
- equation: c4h4 <=> 2 c2h2 # Reaction 459
rate-constant: {A: 3.4e+13, b: 0.0, Ea: 7.664e+04}
- equation: c4h4 + M <=> c4h3 + h + M # Reaction 460
type: three-body
rate-constant: {A: 1.1e+20, b: 0.0, Ea: 9.863e+04}
- equation: c4h4 + o <=> hco + c3h3 # Reaction 461
rate-constant: {A: 3.2e+08, b: 1.44, Ea: 549.4}
Expand Down
1 change: 0 additions & 1 deletion interfaces/cython/cantera/reaction.pyx
Expand Up @@ -1664,7 +1664,6 @@ cdef class ThreeBodyReaction(Reaction):
The YAML description corresponding to this reaction is::
equation: 2 O + M <=> O2 + M
type: three-body
rate-constant: {A: 1.2e+17 cm^6/mol^2/s, b: -1.0, Ea: 0.0 cal/mol}
efficiencies: {H2: 2.4, H2O: 15.4, AR: 0.83}
Expand Down
1 change: 0 additions & 1 deletion test/data/duplicate-reactions.yaml
Expand Up @@ -123,7 +123,6 @@ H-reactions:
- equation: O + H2 <=> H + OH # Reaction 17
rate-constant: {A: 1.0e+10, b: 0, Ea: 100}
- equation: O + H2 + M <=> H + OH + M # Reaction 18
type: three-body
rate-constant: {A: 1.0e+10, b: 0, Ea: 100}

I-reactions:
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2 changes: 0 additions & 2 deletions test/data/explicit-reverse-rate.yaml
Expand Up @@ -90,10 +90,8 @@ reactions:
- equation: P1 + H => R1A + R1B
rate-constant: {A: 3.9e+09, b: 1.0, Ea: 6500.0 cal/mol}
- equation: R1A + R1B + M => P1 + H + M
type: three-body
rate-constant: {A: 1.0e-08, b: 0.0, Ea: 5000.0 cal/mol}
- equation: P1 + H + M => R1A + R1B + M
type: three-body
rate-constant: {A: 3.9e+06, b: 1.0, Ea: 6500.0 cal/mol}
- equation: R3 + H => P3A + P3B
rate-constant: {A: 1.0e+16, b: 0.0, Ea: 5000.0 cal/mol}
1 change: 0 additions & 1 deletion test/data/explicit-third-bodies.yaml
Expand Up @@ -76,7 +76,6 @@ species:

reactions:
- equation: R1A + R1B + M <=> P1 + H + M
type: three-body
rate-constant: {A: 3.0e+13, b: -2.0, Ea: 1900.0 cal/mol}
duplicate: true
- equation: R1A + R1B (+ M) <=> P1 + H (+ M)
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1 change: 0 additions & 1 deletion test/data/jacobian-tests.yaml
Expand Up @@ -30,7 +30,6 @@ reactions:
orders: {H2: 0.8, O2: 1.0, OH: 2.0}
note: Fractional reaction order
- equation: O + H + M <=> OH + M # Reaction 5
type: three-body
rate-constant: {A: 5.0e+5, b: -1.0, Ea: 0.0}
default-efficiency: 0.
efficiencies: {H2: 2.0, H2O: 6.0, AR: 0.7}
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1 change: 0 additions & 1 deletion test/data/kineticsfromscratch.yaml
Expand Up @@ -37,7 +37,6 @@ reactions:
- equation: O + H2 <=> H + OH # Reaction 1
rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0}
- equation: 2 O + M <=> O2 + M # Reaction 2
type: three-body
rate-constant: {A: 1.2e+11, b: -1.0, Ea: 0.0}
efficiencies: {AR: 0.83, H2: 2.4, H2O: 15.4}
- equation: 2 OH (+ M) <=> H2O2 (+ M) # Reaction 3
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