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The YAML input files are no longer generated at build-time. This removes the requirement to have ruamel.yaml installed at build-time.
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generator: cti2yaml | ||
cantera-version: 2.5.0a3 | ||
date: Wed, 11 Dec 2019 16:59:04 -0500 | ||
input-files: [KOH.cti] | ||
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units: {length: cm, quantity: mol, activation-energy: cal/mol} | ||
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phases: | ||
- name: KOH_plasma | ||
thermo: ideal-gas | ||
elements: [K, O, H, E] | ||
species: | ||
- nasa_gas.yaml/species: all | ||
skip-undeclared-elements: true | ||
state: | ||
T: 300.0 | ||
P: 1.01325e+05 | ||
- name: K_solid | ||
thermo: fixed-stoichiometry | ||
elements: [K] | ||
species: | ||
- nasa_condensed.yaml/species: [K(cr)] | ||
density: 0.86 g/cm^3 | ||
- name: K_liquid | ||
thermo: fixed-stoichiometry | ||
elements: [K] | ||
species: | ||
- nasa_condensed.yaml/species: [K(L)] | ||
density: 1.0 g/cm^3 | ||
- name: KOH_a | ||
thermo: fixed-stoichiometry | ||
elements: [K, O, H] | ||
species: | ||
- nasa_condensed.yaml/species: [KOH(a)] | ||
density: 2.04 g/cm^3 | ||
- name: KOH_b | ||
thermo: fixed-stoichiometry | ||
elements: [K, O, H] | ||
species: | ||
- nasa_condensed.yaml/species: [KOH(b)] | ||
density: 1.0 g/cm^3 | ||
- name: KOH_liquid | ||
thermo: fixed-stoichiometry | ||
elements: [K, O, H] | ||
species: | ||
- nasa_condensed.yaml/species: [KOH(L)] | ||
density: 1.0 g/cm^3 | ||
- name: K2O2_solid | ||
thermo: fixed-stoichiometry | ||
elements: [K, O] | ||
species: | ||
- nasa_condensed.yaml/species: [K2O2(s)] | ||
density: 1.0 g/cm^3 | ||
- name: K2O_solid | ||
thermo: fixed-stoichiometry | ||
elements: [K, O] | ||
species: | ||
- nasa_condensed.yaml/species: [K2O(s)] | ||
density: 1.0 g/cm^3 | ||
- name: KO2_solid | ||
thermo: fixed-stoichiometry | ||
elements: [K, O] | ||
species: | ||
- nasa_condensed.yaml/species: [KO2(s)] | ||
density: 1.0 g/cm^3 | ||
- name: ice | ||
thermo: fixed-stoichiometry | ||
elements: [H, O] | ||
species: | ||
- nasa_condensed.yaml/species: [H2O(s)] | ||
density: 0.917 g/cm^3 | ||
- name: liquid_water | ||
thermo: fixed-stoichiometry | ||
elements: [H, O] | ||
species: | ||
- nasa_condensed.yaml/species: [H2O(L)] | ||
density: 1.0 g/cm^3 |
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generator: ck2yaml | ||
input-files: [air.inp, gri30_tran.dat] | ||
cantera-version: 2.5.0a3 | ||
date: Wed, 11 Dec 2019 16:59:03 -0500 | ||
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units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol} | ||
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phases: | ||
- name: air | ||
thermo: ideal-gas | ||
elements: [O, N, Ar] | ||
species: [O, O2, N, NO, NO2, N2O, N2, AR] | ||
kinetics: gas | ||
transport: mixture-averaged | ||
state: {T: 300.0, P: 1 atm} | ||
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species: | ||
- name: O | ||
composition: {O: 1} | ||
thermo: | ||
model: NASA7 | ||
temperature-ranges: [200.0, 1000.0, 3500.0] | ||
data: | ||
- [3.1682671, -3.27931884e-03, 6.64306396e-06, -6.12806624e-09, 2.11265971e-12, | ||
2.91222592e+04, 2.05193346] | ||
- [2.56942078, -8.59741137e-05, 4.19484589e-08, -1.00177799e-11, 1.22833691e-15, | ||
2.92175791e+04, 4.78433864] | ||
note: L1/90 | ||
transport: | ||
model: gas | ||
geometry: atom | ||
well-depth: 80.0 | ||
diameter: 2.75 | ||
- name: O2 | ||
composition: {O: 2} | ||
thermo: | ||
model: NASA7 | ||
temperature-ranges: [200.0, 1000.0, 3500.0] | ||
data: | ||
- [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12, | ||
-1063.94356, 3.65767573] | ||
- [3.28253784, 1.48308754e-03, -7.57966669e-07, 2.09470555e-10, -2.16717794e-14, | ||
-1088.45772, 5.45323129] | ||
note: TPIS89 | ||
transport: | ||
model: gas | ||
geometry: linear | ||
well-depth: 107.4 | ||
diameter: 3.458 | ||
polarizability: 1.6 | ||
rotational-relaxation: 3.8 | ||
- name: N | ||
composition: {N: 1} | ||
thermo: | ||
model: NASA7 | ||
temperature-ranges: [200.0, 1000.0, 6000.0] | ||
data: | ||
- [2.5, 0.0, 0.0, 0.0, 0.0, 5.6104637e+04, 4.1939087] | ||
- [2.4159429, 1.7489065e-04, -1.1902369e-07, 3.0226245e-11, -2.0360982e-15, | ||
5.6133773e+04, 4.6496096] | ||
note: L6/88 | ||
transport: | ||
model: gas | ||
geometry: atom | ||
well-depth: 71.4 | ||
diameter: 3.298 | ||
note: '*' | ||
- name: NO | ||
composition: {N: 1, O: 1} | ||
thermo: | ||
model: NASA7 | ||
temperature-ranges: [200.0, 1000.0, 6000.0] | ||
data: | ||
- [4.2184763, -4.638976e-03, 1.1041022e-05, -9.3361354e-09, 2.803577e-12, | ||
9844.623, 2.2808464] | ||
- [3.2606056, 1.1911043e-03, -4.2917048e-07, 6.9457669e-11, -4.0336099e-15, | ||
9920.9746, 6.3693027] | ||
note: RUS78 | ||
transport: | ||
model: gas | ||
geometry: linear | ||
well-depth: 97.53 | ||
diameter: 3.621 | ||
polarizability: 1.76 | ||
rotational-relaxation: 4.0 | ||
- name: NO2 | ||
composition: {N: 1, O: 2} | ||
thermo: | ||
model: NASA7 | ||
temperature-ranges: [200.0, 1000.0, 6000.0] | ||
data: | ||
- [3.9440312, -1.585429e-03, 1.6657812e-05, -2.0475426e-08, 7.8350564e-12, | ||
2896.6179, 6.3119917] | ||
- [4.8847542, 2.1723956e-03, -8.2806906e-07, 1.574751e-10, -1.0510895e-14, | ||
2316.4983, -0.11741695] | ||
note: L7/88 | ||
transport: | ||
model: gas | ||
geometry: nonlinear | ||
well-depth: 200.0 | ||
diameter: 3.5 | ||
rotational-relaxation: 1.0 | ||
note: '*' | ||
- name: N2O | ||
composition: {N: 2, O: 1} | ||
thermo: | ||
model: NASA7 | ||
temperature-ranges: [200.0, 1000.0, 6000.0] | ||
data: | ||
- [2.2571502, 0.011304728, -1.3671319e-05, 9.6819806e-09, -2.9307182e-12, | ||
8741.7744, 10.757992] | ||
- [4.8230729, 2.6270251e-03, -9.5850874e-07, 1.6000712e-10, -9.7752303e-15, | ||
8073.4048, -2.2017207] | ||
note: L7/88 | ||
transport: | ||
model: gas | ||
geometry: linear | ||
well-depth: 232.4 | ||
diameter: 3.828 | ||
rotational-relaxation: 1.0 | ||
note: '*' | ||
- name: N2 | ||
composition: {N: 2} | ||
thermo: | ||
model: NASA7 | ||
temperature-ranges: [300.0, 1000.0, 5000.0] | ||
data: | ||
- [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12, | ||
-1020.8999, 3.950372] | ||
- [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15, | ||
-922.7977, 5.980528] | ||
note: '121286' | ||
transport: | ||
model: gas | ||
geometry: linear | ||
well-depth: 97.53 | ||
diameter: 3.621 | ||
polarizability: 1.76 | ||
rotational-relaxation: 4.0 | ||
- name: AR | ||
composition: {Ar: 1} | ||
thermo: | ||
model: NASA7 | ||
temperature-ranges: [300.0, 1000.0, 5000.0] | ||
data: | ||
- [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366] | ||
- [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366] | ||
note: '120186' | ||
transport: | ||
model: gas | ||
geometry: atom | ||
well-depth: 136.5 | ||
diameter: 3.33 | ||
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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 | ||
rate-constant: {A: 2.7e+13, b: 0.0, Ea: 355.0} | ||
- equation: N + O2 <=> NO + O # Reaction 3 | ||
rate-constant: {A: 9.0e+09, b: 1.0, Ea: 6500.0} | ||
- equation: N2O + O <=> N2 + O2 # Reaction 4 | ||
rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.081e+04} | ||
- equation: N2O + O <=> 2 NO # Reaction 5 | ||
rate-constant: {A: 2.9e+13, b: 0.0, Ea: 2.315e+04} | ||
- equation: N2O (+M) <=> N2 + O (+M) # Reaction 6 | ||
type: falloff | ||
low-P-rate-constant: {A: 6.37e+14, b: 0.0, Ea: 5.664e+04} | ||
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 | ||
rate-constant: {A: 3.9e+12, b: 0.0, Ea: -240.0} |
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