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wang99_22sp.yaml
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wang99_22sp.yaml
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generator: cti2yaml
cantera-version: 2.5.1
date: Thu, 24 Mar 2022 15:38:11 -0500
input-files: [usc.cti]
units: {length: cm, quantity: mol, activation-energy: cal/mol}
phases:
- name: gas
thermo: ideal-gas
elements: [O, H, C, N]
species: [C2H4, H2, H, O, O2, OH, H2O, HO2, CH2, CH3, CH4,
CO, CO2, HCO, C2H3, C2H2, CH2O, CH2CHO, CH, CH2*, HCCO, N2]
kinetics: gas
reactions: all
transport: mixture-averaged
state:
T: 300.0
P: 1.01325e+05
species:
- name: H2
composition: {H: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12,
-917.935173, 0.683010238]
- [3.3372792, -4.94024731e-05, 4.99456778e-07, -1.79566394e-10, 2.00255376e-14,
-950.158922, -3.20502331]
transport:
model: gas
geometry: linear
diameter: 2.92
well-depth: 38.0
polarizability: 0.79
rotational-relaxation: 280.0
note: '000000'
- name: H
composition: {H: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.5, 7.05332819e-13, -1.99591964e-15, 2.30081632e-18, -9.27732332e-22,
2.54736599e+04, -0.446682853]
- [2.50000001, -2.30842973e-11, 1.61561948e-14, -4.73515235e-18, 4.98197357e-22,
2.54736599e+04, -0.446682914]
transport:
model: gas
geometry: atom
diameter: 2.05
well-depth: 145.0
note: '000000'
- name: O
composition: {O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
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]
transport:
model: gas
geometry: atom
diameter: 2.75
well-depth: 80.0
note: '000000'
- name: O2
composition: {O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
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]
transport:
model: gas
geometry: linear
diameter: 3.458
well-depth: 107.4
polarizability: 1.6
rotational-relaxation: 3.8
note: '000000'
- name: OH
composition: {H: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.12530561, -3.22544939e-03, 6.52764691e-06, -5.79853643e-09, 2.06237379e-12,
3381.53812, -0.69043296]
- [2.86472886, 1.05650448e-03, -2.59082758e-07, 3.05218674e-11, -1.33195876e-15,
3718.85774, 5.70164073]
transport:
model: gas
geometry: linear
diameter: 2.75
well-depth: 80.0
note: '000000'
- name: H2O
composition: {H: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12,
-3.02937267e+04, -0.849032208]
- [3.03399249, 2.17691804e-03, -1.64072518e-07, -9.7041987e-11, 1.68200992e-14,
-3.00042971e+04, 4.9667701]
transport:
model: gas
geometry: nonlinear
diameter: 2.605
well-depth: 572.4
dipole: 1.844
rotational-relaxation: 4.0
note: '000000'
- name: HO2
composition: {H: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.30179801, -4.74912051e-03, 2.11582891e-05, -2.42763894e-08, 9.29225124e-12,
294.80804, 3.71666245]
- [4.0172109, 2.23982013e-03, -6.3365815e-07, 1.1424637e-10, -1.07908535e-14,
111.856713, 3.78510215]
transport:
model: gas
geometry: nonlinear
diameter: 3.458
well-depth: 107.4
rotational-relaxation: 1.0
note: '000000'
- name: H2O2
composition: {H: 2, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.27611269, -5.42822417e-04, 1.67335701e-05, -2.15770813e-08, 8.62454363e-12,
-1.77025821e+04, 3.43505074]
- [4.16500285, 4.90831694e-03, -1.90139225e-06, 3.71185986e-10, -2.87908305e-14,
-1.78617877e+04, 2.91615662]
transport:
model: gas
geometry: nonlinear
diameter: 3.458
well-depth: 107.4
rotational-relaxation: 3.8
note: '000000'
- name: CH
composition: {H: 1, C: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.48981665, 3.23835541e-04, -1.68899065e-06, 3.16217327e-09, -1.40609067e-12,
7.07972934e+04, 2.08401108]
- [2.87846473, 9.70913681e-04, 1.44445655e-07, -1.30687849e-10, 1.76079383e-14,
7.10124364e+04, 5.48497999]
transport:
model: gas
geometry: linear
diameter: 2.75
well-depth: 80.0
note: '000000'
- name: CH2
composition: {H: 2, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 5000.0]
data:
- [3.76267867, 9.68872143e-04, 2.79489841e-06, -3.85091153e-09, 1.68741719e-12,
4.60040401e+04, 1.56253185]
- [2.87410113, 3.65639292e-03, -1.40894597e-06, 2.60179549e-10, -1.87727567e-14,
4.6263604e+04, 6.17119324]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: LS/93
- name: CH2*
composition: {H: 2, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 3500.0]
data:
- [4.19860411, -2.36661419e-03, 8.2329622e-06, -6.68815981e-09, 1.94314737e-12,
5.04968163e+04, -0.769118967]
- [2.29203842, 4.65588637e-03, -2.01191947e-06, 4.17906e-10, -3.39716365e-14,
5.09259997e+04, 8.62650169]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: LS/93
- name: CH3
composition: {H: 3, C: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.6735904, 2.01095175e-03, 5.73021856e-06, -6.87117425e-09, 2.54385734e-12,
1.64449988e+04, 1.60456433]
- [2.28571772, 7.23990037e-03, -2.98714348e-06, 5.95684644e-10, -4.67154394e-14,
1.67755843e+04, 8.48007179]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: '000000'
- name: CH4
composition: {H: 4, C: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11,
-1.02466476e+04, -4.64130376]
- [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13,
-9468.34459, 18.437318]
transport:
model: gas
geometry: nonlinear
diameter: 3.746
well-depth: 141.4
polarizability: 2.6
rotational-relaxation: 13.0
note: '000000'
- name: CO
composition: {C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.57953347, -6.1035368e-04, 1.01681433e-06, 9.07005884e-10, -9.04424499e-13,
-1.4344086e+04, 3.50840928]
- [2.71518561, 2.06252743e-03, -9.98825771e-07, 2.30053008e-10, -2.03647716e-14,
-1.41518724e+04, 7.81868772]
transport:
model: gas
geometry: linear
diameter: 3.65
well-depth: 98.1
polarizability: 1.95
rotational-relaxation: 1.8
note: '000000'
- name: CO2
composition: {C: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.35677352, 8.98459677e-03, -7.12356269e-06, 2.45919022e-09, -1.43699548e-13,
-4.83719697e+04, 9.90105222]
- [3.85746029, 4.41437026e-03, -2.21481404e-06, 5.23490188e-10, -4.72084164e-14,
-4.8759166e+04, 2.27163806]
transport:
model: gas
geometry: linear
diameter: 3.763
well-depth: 244.0
polarizability: 2.65
rotational-relaxation: 2.1
note: '000000'
- name: HCO
composition: {H: 1, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.22118584, -3.24392532e-03, 1.37799446e-05, -1.33144093e-08, 4.33768865e-12,
3839.56496, 3.39437243]
- [2.77217438, 4.95695526e-03, -2.48445613e-06, 5.89161778e-10, -5.33508711e-14,
4011.91815, 9.79834492]
transport:
model: gas
geometry: nonlinear
diameter: 3.59
well-depth: 498.0
note: '000000'
- name: CH2O
composition: {H: 2, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.79372315, -9.90833369e-03, 3.73220008e-05, -3.79285261e-08, 1.31772652e-11,
-1.43089567e+04, 0.6028129]
- [1.76069008, 9.20000082e-03, -4.42258813e-06, 1.00641212e-09, -8.8385564e-14,
-1.39958323e+04, 13.656323]
transport:
model: gas
geometry: nonlinear
diameter: 3.59
well-depth: 498.0
rotational-relaxation: 2.0
note: '000000'
- name: C2H2
composition: {H: 2, C: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [0.808681094, 0.0233615629, -3.55171815e-05, 2.80152437e-08, -8.50072974e-12,
2.64289807e+04, 13.9397051]
- [4.14756964, 5.96166664e-03, -2.37294852e-06, 4.67412171e-10, -3.61235213e-14,
2.59359992e+04, -1.23028121]
transport:
model: gas
geometry: linear
diameter: 3.721
well-depth: 265.3
rotational-relaxation: 2.5
note: '000000'
- name: C2H3
composition: {H: 3, C: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.21246645, 1.51479162e-03, 2.59209412e-05, -3.57657847e-08, 1.47150873e-11,
3.48598468e+04, 8.51054025]
- [3.016724, 0.0103302292, -4.68082349e-06, 1.01763288e-09, -8.62607041e-14,
3.46128739e+04, 7.78732378]
transport:
model: gas
geometry: nonlinear
diameter: 3.721
well-depth: 265.3
rotational-relaxation: 1.0
note: '000000'
- name: C2H4
composition: {H: 4, C: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.95920148, -7.57052247e-03, 5.70990292e-05, -6.91588753e-08, 2.69884373e-11,
5089.77593, 4.09733096]
- [2.03611116, 0.0146454151, -6.71077915e-06, 1.47222923e-09, -1.25706061e-13,
4939.88614, 10.3053693]
transport:
model: gas
geometry: nonlinear
diameter: 3.496
well-depth: 238.4
rotational-relaxation: 1.5
note: '000000'
- name: HCCO
composition: {H: 1, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.2517214, 0.017655021, -2.3729101e-05, 1.7275759e-08, -5.0664811e-12,
2.0059449e+04, 12.490417]
- [5.6282058, 4.0853401e-03, -1.5934547e-06, 2.8626052e-10, -1.9407832e-14,
1.9327215e+04, -3.9302595]
transport:
model: gas
geometry: nonlinear
diameter: 2.5
well-depth: 150.0
rotational-relaxation: 1.0
note: '000000'
- name: CH2CHO
composition: {H: 3, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [1.0134001, 0.022681467, -1.5733944e-05, 4.0491503e-09, 2.9599012e-13,
380.42853, 19.356552]
- [5.1662006, 0.010847826, -4.4658368e-06, 8.0628548e-10, -4.8410193e-14,
-731.99347, -1.9633361]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: '000000'
- 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]
transport:
model: gas
geometry: linear
diameter: 3.621
well-depth: 97.53
polarizability: 1.76
rotational-relaxation: 4.0
note: '000000'
reactions:
- equation: H + O2 <=> O + OH # Reaction 1
rate-constant: {A: 8.3e+13, b: 0.0, Ea: 1.4413e+04}
- equation: O + H2 <=> H + OH # Reaction 2
rate-constant: {A: 5.0e+04, b: 2.67, Ea: 6290.0}
- equation: OH + H2 <=> H + H2O # Reaction 3
rate-constant: {A: 2.16e+08, b: 1.51, Ea: 3430.0}
- equation: OH + OH <=> O + H2O # Reaction 4
rate-constant: {A: 3.57e+04, b: 2.4, Ea: -2110.0}
- equation: H + H + M <=> H2 + M # Reaction 5
type: three-body
rate-constant: {A: 1.0e+18, b: -1.0, Ea: 0.0}
efficiencies: {CO2: 0.0, H2: 0.0, H2O: 0.0, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: H + H + H2 <=> H2 + H2 # Reaction 6
rate-constant: {A: 9.0e+16, b: -0.6, Ea: 0.0}
- equation: H + H + H2O <=> H2 + H2O # Reaction 7
rate-constant: {A: 6.0e+19, b: -1.25, Ea: 0.0}
- equation: H + H + CO2 <=> H2 + CO2 # Reaction 8
rate-constant: {A: 5.5e+20, b: -2.0, Ea: 0.0}
- equation: H + OH + M <=> H2O + M # Reaction 9
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, C2H4: 3.0,
C2H2: 3.0}
- equation: O + H + M <=> OH + M # Reaction 10
type: three-body
rate-constant: {A: 5.0e+17, b: -1.0, Ea: 0.0}
efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: O + O + M <=> O2 + M # Reaction 11
type: three-body
rate-constant: {A: 1.2e+17, b: -1.0, Ea: 0.0}
efficiencies: {CO2: 3.6, CO: 1.75, H2: 2.4, H2O: 15.4, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: H + O2 + M <=> HO2 + M # Reaction 12
type: three-body
rate-constant: {A: 2.8e+18, b: -0.86, Ea: 0.0}
efficiencies: {CO2: 1.5, CO: 0.75, O2: 0.0, H2O: 0.0,
N2: 0.0, C2H4: 3.0, C2H2: 3.0}
- equation: H + O2 + O2 <=> HO2 + O2 # Reaction 13
rate-constant: {A: 3.0e+20, b: -1.72, Ea: 0.0}
- equation: H + O2 + H2O <=> HO2 + H2O # Reaction 14
rate-constant: {A: 1.652e+19, b: -0.76, Ea: 0.0}
- equation: H + O2 + N2 <=> HO2 + N2 # Reaction 15
rate-constant: {A: 2.6e+19, b: -1.24, Ea: 0.0}
- equation: HO2 + H <=> O + H2O # Reaction 18
rate-constant: {A: 3.97e+12, b: 0.0, Ea: 671.0}
- equation: HO2 + H <=> O2 + H2 # Reaction 19
rate-constant: {A: 1.66e+13, b: 0.0, Ea: 820.0}
- equation: HO2 + H <=> OH + OH # Reaction 20
rate-constant: {A: 7.08e+13, b: 0.0, Ea: 300.0}
- equation: HO2 + O <=> OH + O2 # Reaction 21
rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
- equation: HO2 + OH <=> O2 + H2O # Reaction 22
rate-constant: {A: 4.64e+13, b: 0.0, Ea: -500.0}
- equation: CO + O + M <=> CO2 + M # Reaction 30
type: three-body
rate-constant: {A: 6.02e+14, b: 0.0, Ea: 3000.0}
efficiencies: {CO2: 3.5, CO: 1.5, H2: 2.0, O2: 6.0, H2O: 6.0,
CH4: 2.0, C2H4: 3.0, C2H2: 3.0}
- equation: CO + OH <=> CO2 + H # Reaction 31
rate-constant: {A: 4.76e+07, b: 1.228, Ea: 70.0}
- equation: CO + H2 (+ M) <=> CH2O (+ M) # Reaction 32
type: falloff
low-P-rate-constant: {A: 5.07e+27, b: -3.42, Ea: 8.435e+04}
high-P-rate-constant: {A: 4.3e+07, b: 1.5, Ea: 7.96e+04}
Troe: {A: 0.932, T3: 197.0, T1: 1540.0, T2: 1.03e+04}
efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: CO + O2 <=> CO2 + O # Reaction 33
rate-constant: {A: 2.5e+12, b: 0.0, Ea: 4.78e+04}
- equation: CO + HO2 <=> CO2 + OH # Reaction 34
rate-constant: {A: 1.5e+14, b: 0.0, Ea: 2.36e+04}
- equation: HCO + H (+ M) <=> CH2O (+ M) # Reaction 45
type: falloff
low-P-rate-constant: {A: 1.35e+24, b: -2.57, Ea: 1425.0}
high-P-rate-constant: {A: 1.09e+12, b: 0.48, Ea: -260.0}
Troe: {A: 0.7824, T3: 271.0, T1: 2755.0, T2: 6570.0}
efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: HCO + H <=> CO + H2 # Reaction 46
rate-constant: {A: 7.34e+13, b: 0.0, Ea: 0.0}
- equation: HCO + O <=> CO + OH # Reaction 47
rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: HCO + O <=> CO2 + H # Reaction 48
rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: HCO + OH <=> CO + H2O # Reaction 49
rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
- equation: HCO + M <=> CO + H + M # Reaction 50
type: three-body
rate-constant: {A: 1.87e+17, b: -1.0, Ea: 1.7e+04}
efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: HCO + O2 <=> CO + HO2 # Reaction 51
rate-constant: {A: 7.6e+12, b: 0.0, Ea: 400.0}
- equation: CH2 + H (+ M) <=> CH3 (+ M) # Reaction 52
type: falloff
low-P-rate-constant: {A: 3.2e+27, b: -3.14, Ea: 1230.0}
high-P-rate-constant: {A: 2.5e+16, b: -0.8, Ea: 0.0}
Troe: {A: 0.68, T3: 78.0, T1: 1995.0, T2: 5590.0}
efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: CH2 + H2 <=> H + CH3 # Reaction 53
rate-constant: {A: 5.0e+05, b: 2.0, Ea: 7230.0}
- equation: CH2 + O <=> HCO + H # Reaction 54
rate-constant: {A: 8.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2 + O2 <=> HCO + OH # Reaction 55
rate-constant: {A: 1.056e+13, b: 0.0, Ea: 1500.0}
- equation: CH2 + O2 <=> CO2 + H + H # Reaction 56
rate-constant: {A: 2.64e+12, b: 0.0, Ea: 1500.0}
- equation: CH2 + OH <=> CH2O + H # Reaction 57
rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2 + HO2 <=> CH2O + OH # Reaction 59
rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2 + CH2 <=> C2H2 + H2 # Reaction 63
rate-constant: {A: 3.2e+13, b: 0.0, Ea: 0.0}
- equation: CH2O + H <=> HCO + H2 # Reaction 80
rate-constant: {A: 2.3e+10, b: 1.05, Ea: 3275.0}
- equation: CH2O + O <=> HCO + OH # Reaction 81
rate-constant: {A: 3.9e+13, b: 0.0, Ea: 3540.0}
- equation: CH2O + OH <=> HCO + H2O # Reaction 82
rate-constant: {A: 3.43e+09, b: 1.18, Ea: -447.0}
- equation: CH2O + O2 <=> HCO + HO2 # Reaction 83
rate-constant: {A: 1.0e+14, b: 0.0, Ea: 4.0e+04}
- equation: CH3 + H (+ M) <=> CH4 (+ M) # Reaction 86
type: falloff
low-P-rate-constant: {A: 2.477e+33, b: -4.76, Ea: 2440.0}
high-P-rate-constant: {A: 1.27e+16, b: -0.63, Ea: 383.0}
Troe: {A: 0.783, T3: 74.0, T1: 2941.0, T2: 6964.0}
efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: CH3 + O <=> CH2O + H # Reaction 87
rate-constant: {A: 8.43e+13, b: 0.0, Ea: 0.0}
- equation: CH3 + OH <=> CH2 + H2O # Reaction 89
rate-constant: {A: 5.6e+07, b: 1.6, Ea: 5420.0}
- equation: CH3 + O2 <=> OH + CH2O # Reaction 92
rate-constant: {A: 3.6e+10, b: 0.0, Ea: 8940.0}
- equation: CH3 + HO2 <=> CH4 + O2 # Reaction 93
rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0}
- equation: CH3 + HCO <=> CH4 + CO # Reaction 98
rate-constant: {A: 8.48e+12, b: 0.0, Ea: 0.0}
- equation: CH3 + CH2O <=> CH4 + HCO # Reaction 100
rate-constant: {A: 3320.0, b: 2.81, Ea: 5860.0}
- equation: CH3 + CH2 <=> C2H4 + H # Reaction 101
rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0}
- equation: CH4 + H <=> CH3 + H2 # Reaction 122
rate-constant: {A: 6.6e+08, b: 1.62, Ea: 1.084e+04}
- equation: CH4 + O <=> CH3 + OH # Reaction 123
rate-constant: {A: 1.02e+09, b: 1.5, Ea: 8600.0}
- equation: CH4 + OH <=> CH3 + H2O # Reaction 124
rate-constant: {A: 1.0e+08, b: 1.6, Ea: 3120.0}
- equation: CH4 + CH2 <=> CH3 + CH3 # Reaction 126
rate-constant: {A: 2.46e+06, b: 2.0, Ea: 8270.0}
- equation: C2H3 (+ M) <=> C2H2 + H (+ M) # Reaction 153
type: falloff
low-P-rate-constant: {A: 2.565e+27, b: -3.4, Ea: 3.579872e+04}
high-P-rate-constant: {A: 3.86e+08, b: 1.62, Ea: 3.704822e+04}
Troe: {A: 1.9816, T3: 5383.7, T1: 4.2932, T2: -0.0795}
efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: C2H2 + O <=> CH2 + CO # Reaction 156
rate-constant: {A: 4.08e+06, b: 2.0, Ea: 1900.0}
- equation: C2H2 + OH <=> CH3 + CO # Reaction 160
rate-constant: {A: 4.83e-04, b: 4.0, Ea: -2000.0}
- equation: C2H2 + HCO <=> C2H3 + CO # Reaction 161
rate-constant: {A: 1.0e+07, b: 2.0, Ea: 6000.0}
- equation: C2H3 + H (+ M) <=> C2H4 (+ M) # Reaction 186
type: falloff
low-P-rate-constant: {A: 1.4e+30, b: -3.86, Ea: 3320.0}
high-P-rate-constant: {A: 6.08e+12, b: 0.27, Ea: 280.0}
Troe: {A: 0.782, T3: 207.5, T1: 2663.0, T2: 6095.0}
efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: C2H3 + H <=> C2H2 + H2 # Reaction 187
rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: C2H3 + O <=> CH3 + CO # Reaction 190
rate-constant: {A: 4.8e+13, b: 0.0, Ea: 0.0}
- equation: C2H3 + OH <=> C2H2 + H2O # Reaction 191
rate-constant: {A: 3.011e+13, b: 0.0, Ea: 0.0}
- equation: C2H3 + O2 <=> C2H2 + HO2 # Reaction 192
rate-constant: {A: 1.34e+06, b: 1.61, Ea: -383.4}
- equation: C2H3 + O2 <=> HCO + CH2O # Reaction 194
rate-constant: {A: 4.6e+16, b: -1.39, Ea: 1010.0}
- equation: C2H3 + HCO <=> C2H4 + CO # Reaction 197
rate-constant: {A: 9.033e+13, b: 0.0, Ea: 0.0}
- equation: C2H3 + CH3 <=> C2H2 + CH4 # Reaction 198
rate-constant: {A: 3.92e+11, b: 0.0, Ea: 0.0}
- equation: C2H4 + H <=> C2H3 + H2 # Reaction 227
rate-constant: {A: 5.07e+07, b: 1.93, Ea: 1.295e+04}
- equation: C2H4 + O <=> OH + C2H3 # Reaction 228
rate-constant: {A: 1.51e+07, b: 1.91, Ea: 3740.0}
- equation: C2H4 + O <=> CH3 + HCO # Reaction 229
rate-constant: {A: 1.92e+07, b: 1.83, Ea: 220.0}
- equation: C2H4 + O <=> CH2 + CH2O # Reaction 230
rate-constant: {A: 3.84e+05, b: 1.83, Ea: 220.0}
- equation: C2H4 + OH <=> C2H3 + H2O # Reaction 231
rate-constant: {A: 3.6e+06, b: 2.0, Ea: 2500.0}
- equation: C2H4 + O2 <=> C2H3 + HO2 # Reaction 232
rate-constant: {A: 4.22e+13, b: 0.0, Ea: 6.08e+04}
- equation: CH2* + N2 <=> CH2 + N2 # Reaction 64
rate-constant: {A: 1.5e+13, b: 0.0, Ea: 600.0}
- equation: CH2* + O <=> CO + H2 # Reaction 67
rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0}
- equation: CH2* + O <=> HCO + H # Reaction 68
rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0}
- equation: CH2* + OH <=> CH2O + H # Reaction 69
rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2* + H2 <=> CH3 + H # Reaction 70
rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2* + O2 <=> H + OH + CO # Reaction 71
rate-constant: {A: 2.8e+13, b: 0.0, Ea: 0.0}
- equation: CH2* + O2 <=> CO + H2O # Reaction 72
rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0}
- equation: CH2* + H2O <=> CH2 + H2O # Reaction 74
rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2* + CO <=> CH2 + CO # Reaction 75
rate-constant: {A: 9.0e+12, b: 0.0, Ea: 0.0}
- equation: CH2* + CO2 <=> CH2 + CO2 # Reaction 76
rate-constant: {A: 7.0e+12, b: 0.0, Ea: 0.0}
- equation: CH2* + CO2 <=> CH2O + CO # Reaction 77
rate-constant: {A: 1.4e+13, b: 0.0, Ea: 0.0}
- equation: CH3 + OH <=> CH2* + H2O # Reaction 90
rate-constant: {A: 2.501e+13, b: 0.0, Ea: 0.0}
- equation: CH3 + CH2* <=> C2H4 + H # Reaction 102
rate-constant: {A: 1.2e+13, b: 0.0, Ea: -570.0}
- equation: CH4 + CH2* <=> CH3 + CH3 # Reaction 127
rate-constant: {A: 1.6e+13, b: 0.0, Ea: -570.0}
- equation: HCCO + H <=> CH2* + CO # Reaction 145
rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0}
- equation: CH + O <=> CO + H # Reaction 38
rate-constant: {A: 5.7e+13, b: 0.0, Ea: 0.0}
- equation: CH + OH <=> HCO + H # Reaction 39
rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: CH + H2 <=> CH2 + H # Reaction 40
rate-constant: {A: 1.107e+08, b: 1.79, Ea: 1670.0}
- equation: CH + H2O <=> CH2O + H # Reaction 41
rate-constant: {A: 5.71e+12, b: 0.0, Ea: -755.0}
- equation: CH + O2 <=> HCO + O # Reaction 42
rate-constant: {A: 3.3e+13, b: 0.0, Ea: 0.0}
- equation: CH + CO2 <=> HCO + CO # Reaction 44
rate-constant: {A: 3.4e+12, b: 0.0, Ea: 690.0}
- equation: CH2 + OH <=> CH + H2O # Reaction 58
rate-constant: {A: 1.13e+07, b: 2.0, Ea: 3000.0}
- equation: CH2 + CH <=> C2H2 + H # Reaction 62
rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0}
- equation: CH3 + CH <=> C2H3 + H # Reaction 97
rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: CH4 + CH <=> C2H4 + H # Reaction 125
rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2* + H <=> CH + H2 # Reaction 66
rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: CH + CO (+ M) <=> HCCO (+ M) # Reaction 43
type: falloff
low-P-rate-constant: {A: 2.69e+28, b: -3.74, Ea: 1936.0}
high-P-rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
Troe: {A: 0.5757, T3: 237.0, T1: 1652.0, T2: 5069.0}
efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
C2H4: 3.0, C2H2: 3.0}
- equation: CH3 + HCCO <=> C2H4 + CO # Reaction 105
rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
- equation: HCCO + O <=> H + CO + CO # Reaction 146
rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0}
- equation: HCCO + O2 <=> OH + 2 CO # Reaction 147
rate-constant: {A: 1.6e+12, b: 0.0, Ea: 854.0}
- equation: HCCO + CH <=> C2H2 + CO # Reaction 148
rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
- equation: HCCO + CH2 <=> C2H3 + CO # Reaction 149
rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: HCCO + HCCO <=> C2H2 + CO + CO # Reaction 150
rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
- equation: C2H2 + O <=> HCCO + H # Reaction 155
rate-constant: {A: 1.632e+07, b: 2.0, Ea: 1900.0}
- equation: C2H3 + O2 <=> CH2CHO + O # Reaction 193
rate-constant: {A: 3.0e+11, b: 0.29, Ea: 11.0}
- equation: C2H3 + HO2 <=> CH2CHO + OH # Reaction 195
rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2CHO <=> CH3 + CO # Reaction 202
rate-constant: {A: 7.8e+41, b: -9.147, Ea: 4.69e+04}
- equation: CH2CHO + H <=> CH3 + HCO # Reaction 205
rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0}
- equation: CH2CHO + O2 <=> CH2O + CO + OH # Reaction 210
rate-constant: {A: 1.8e+10, b: 0.0, Ea: 0.0}
### nao parece ser importante para C2H4
#- equation: OH + OH (+ M) <=> H2O2 (+ M) # Reaction 17
# type: falloff
# low-P-rate-constant: {A: 2.3e+18, b: -0.9, Ea: -1700.0}
# high-P-rate-constant: {A: 7.4e+13, b: -0.37, Ea: 0.0}
# Troe: {A: 0.7346, T3: 94.0, T1: 1756.0, T2: 5182.0}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
#- equation: HO2 + HO2 <=> O2 + H2O2 # Reaction 23
# rate-constant: {A: 1.3e+11, b: 0.0, Ea: -1630.0}
# duplicate: true
#- equation: HO2 + HO2 <=> O2 + H2O2 # Reaction 24
# rate-constant: {A: 4.2e+14, b: 0.0, Ea: 1.2e+04}
# duplicate: true
#- equation: H2O2 + H <=> HO2 + H2 # Reaction 25
# rate-constant: {A: 1.21e+07, b: 2.0, Ea: 5200.0}
#- equation: H2O2 + H <=> OH + H2O # Reaction 26
# rate-constant: {A: 1.0e+13, b: 0.0, Ea: 3600.0}
#- equation: H2O2 + O <=> OH + HO2 # Reaction 27
# rate-constant: {A: 9.63e+06, b: 2.0, Ea: 4000.0}
#- equation: H2O2 + OH <=> HO2 + H2O # Reaction 28
# rate-constant: {A: 1.75e+12, b: 0.0, Ea: 320.0}
# duplicate: true
#- equation: H2O2 + OH <=> HO2 + H2O # Reaction 29
# rate-constant: {A: 5.8e+14, b: 0.0, Ea: 9560.0}
# duplicate: true
#- equation: CH2O + HO2 <=> HCO + H2O2 # Reaction 84
# rate-constant: {A: 1.0e+12, b: 0.0, Ea: 8000.0}
#- equation: CH3 + H2O2 <=> CH4 + HO2 # Reaction 95
# rate-constant: {A: 2.45e+04, b: 2.47, Ea: 5180.0}
#- equation: C2H3 + H2O2 <=> C2H4 + HO2 # Reaction 196
# rate-constant: {A: 1.21e+10, b: 0.0, Ea: -596.0}
#- equation: CH2* + H2O (+ M) <=> CH3OH (+ M) # Reaction 73
# type: falloff
# low-P-rate-constant: {A: 2.7e+38, b: -6.3, Ea: 3100.0}
# high-P-rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
# Troe: {A: 0.1507, T3: 134.0, T1: 2383.0, T2: 7265.0}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
#- equation: CH3O + H <=> CH2* + H2O # Reaction 111
# rate-constant: {A: 1.6e+13, b: 0.0, Ea: 0.0}
#- equation: CH2OH + H <=> CH2* + H2O # Reaction 118
# rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0}
##############################################################################
###baixa pouquinho
##- equation: CH2O + H (+ M) <=> CH2OH (+ M) # Reaction 78
# type: falloff
# low-P-rate-constant: {A: 1.27e+32, b: -4.82, Ea: 6530.0}
# high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 3600.0}
# Troe: {A: 0.7187, T3: 103.0, T1: 1291.0, T2: 4160.0}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
#- equation: CH2OH + H <=> CH2O + H2 # Reaction 116
# rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
#- equation: CH2OH + H <=> CH3 + OH # Reaction 117
# rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0}
#- equation: CH2OH + O <=> CH2O + OH # Reaction 119
# rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
#- equation: CH2OH + OH <=> CH2O + H2O # Reaction 120
# rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0}
#- equation: CH2OH + O2 <=> CH2O + HO2 # Reaction 121
# rate-constant: {A: 1.8e+13, b: 0.0, Ea: 900.0}
###baixa moderamente?
#- equation: C2H + H (+ M) <=> C2H2 (+ M) # Reaction 136
# type: falloff
# low-P-rate-constant: {A: 3.75e+33, b: -4.8, Ea: 1900.0}
# high-P-rate-constant: {A: 1.0e+17, b: -1.0, Ea: 0.0}
# Troe: {A: 0.6464, T3: 132.0, T1: 1315.0, T2: 5566.0}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
#- equation: C2H + O <=> CH + CO # Reaction 137
# rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
#- equation: C2H + OH <=> H + HCCO # Reaction 138
# rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
#- equation: C2H + O2 <=> HCO + CO # Reaction 139
# rate-constant: {A: 5.0e+13, b: 0.0, Ea: 1500.0}
#- equation: C2H + H2 <=> H + C2H2 # Reaction 140
# rate-constant: {A: 4.9e+05, b: 2.5, Ea: 560.0}
#- equation: C2H2 + O <=> C2H + OH # Reaction 154
# rate-constant: {A: 4.6e+19, b: -1.41, Ea: 2.895e+04}
#- equation: C2H2 + OH <=> C2H + H2O # Reaction 159
# rate-constant: {A: 3.37e+07, b: 2.0, Ea: 1.4e+04}
###aumenta
#- equation: C2H2 (+ M) <=> H2CC (+ M) # Reaction 152
# type: falloff
# low-P-rate-constant: {A: 2.45e+15, b: -0.64, Ea: 4.97e+04}
# high-P-rate-constant: {A: 8.0e+14, b: -0.52, Ea: 5.075e+04}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 2.5, C2H2: 2.5}
#- equation: H2CC + H <=> C2H2 + H # Reaction 174
# rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0}
#- equation: H2CC + O <=> CH2 + CO # Reaction 175
# rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0}
#- equation: H2CC + OH <=> CH2CO + H # Reaction 176
# rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
#- equation: H2CC + O2 <=> CO2 + CH2 # Reaction 177
# rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
#- equation: C2H3 + H <=> H2CC + H2 # Reaction 188
# rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
#- equation: C2H4 (+ M) <=> H2 + H2CC (+ M) # Reaction 225
# type: falloff
# low-P-rate-constant: {A: 7.0e+50, b: -9.31, Ea: 9.986e+04}
# high-P-rate-constant: {A: 8.0e+12, b: 0.44, Ea: 8.877e+04}
# Troe: {A: 0.7345, T3: 180.0, T1: 1035.0, T2: 5417.0}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
###baixa pouco
#- equation: CH2 + CO (+ M) <=> CH2CO (+ M) # Reaction 61
# type: falloff
# low-P-rate-constant: {A: 2.69e+33, b: -5.11, Ea: 7095.0}
# high-P-rate-constant: {A: 8.1e+11, b: 0.5, Ea: 4510.0}
# Troe: {A: 0.5907, T3: 275.0, T1: 1226.0, T2: 5185.0}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
#- equation: CH2O + CH <=> CH2CO + H # Reaction 85
# rate-constant: {A: 9.46e+13, b: 0.0, Ea: -515.0}
#- equation: C2H2 + OH <=> CH2CO + H # Reaction 157
# rate-constant: {A: 2.18e-04, b: 4.5, Ea: -1000.0}
#- equation: CH2CO + H (+ M) <=> CH2CHO (+ M) # Reaction 179
# type: falloff
# low-P-rate-constant: {A: 3.8e+41, b: -7.64, Ea: 1.19e+04}
# high-P-rate-constant: {A: 3.3e+14, b: -0.06, Ea: 8500.0}
# Troe: {A: 0.337, T3: 1707.0, T1: 3200.0, T2: 4131.0}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
#- equation: CH2CO + H <=> HCCO + H2 # Reaction 180
# rate-constant: {A: 5.0e+13, b: 0.0, Ea: 8000.0}
#- equation: CH2CO + H <=> CH3 + CO # Reaction 181
# rate-constant: {A: 1.5e+09, b: 1.43, Ea: 2690.0}
#- equation: CH2CO + O <=> HCCO + OH # Reaction 182
# rate-constant: {A: 1.0e+13, b: 0.0, Ea: 8000.0}
#- equation: CH2CO + O <=> CH2 + CO2 # Reaction 183
# rate-constant: {A: 1.75e+12, b: 0.0, Ea: 1350.0}
#- equation: CH2CO + OH <=> HCCO + H2O # Reaction 184
# rate-constant: {A: 7.5e+12, b: 0.0, Ea: 2000.0}
#- equation: C2H3 + O <=> CH2CO + H # Reaction 189
# rate-constant: {A: 4.8e+13, b: 0.0, Ea: 0.0}
#- equation: CH2CHO + H <=> CH2CO + H2 # Reaction 206
# rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4000.0}
#- equation: CH2CHO + O <=> CH2CO + OH # Reaction 207
# rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4000.0}
#- equation: CH2CHO + OH <=> CH2CO + H2O # Reaction 208
# rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2000.0}
#- equation: CH2CHO + O2 <=> CH2CO + HO2 # Reaction 209
# rate-constant: {A: 1.4e+11, b: 0.0, Ea: 0.0}
#- equation: C2O + H <=> CH + CO # Reaction 141
# rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
#- equation: C2O + O <=> CO + CO # Reaction 142
# rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
#- equation: C2O + OH <=> CO + CO + H # Reaction 143
# rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
#- equation: C2O + O2 <=> CO + CO + O # Reaction 144
# rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
#- equation: HCCO + OH <=> C2O + H2O # Reaction 151
# rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
##############################################################################
#- equation: CH2O + H (+ M) <=> CH3O (+ M) # Reaction 79
# type: falloff
# low-P-rate-constant: {A: 2.2e+30, b: -4.8, Ea: 5560.0}
# high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 2600.0}
# Troe: {A: 0.758, T3: 94.0, T1: 1555.0, T2: 4200.0}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
#- equation: CH3 + OH (+ M) <=> CH3OH (+ M) # Reaction 88
# type: falloff
# low-P-rate-constant: {A: 2.7e+38, b: -6.3, Ea: 3100.0}
# high-P-rate-constant: {A: 6.3e+13, b: 0.0, Ea: 0.0}
# Troe: {A: 0.2105, T3: 83.5, T1: 5398.0, T2: 8370.0}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
#- equation: CH3 + O2 <=> O + CH3O # Reaction 91
# rate-constant: {A: 3.083e+13, b: 0.0, Ea: 2.88e+04}
#- equation: CH3 + HO2 <=> CH3O + OH # Reaction 94
# rate-constant: {A: 1.34e+13, b: 0.0, Ea: 0.0}
#- equation: CH3O + H (+ M) <=> CH3OH (+ M) # Reaction 107
# type: falloff
# low-P-rate-constant: {A: 8.6e+28, b: -4.0, Ea: 3025.0}
# high-P-rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
# Troe: {A: 0.8902, T3: 144.0, T1: 2838.0, T2: 4.5569e+04}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
#- equation: CH3O + H <=> CH2OH + H # Reaction 108
# rate-constant: {A: 3.4e+06, b: 1.6, Ea: 0.0}
#- equation: CH3O + H <=> CH2O + H2 # Reaction 109
# rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
#- equation: CH3O + H <=> CH3 + OH # Reaction 110
# rate-constant: {A: 3.2e+13, b: 0.0, Ea: 0.0}
#- equation: CH3O + O <=> CH2O + OH # Reaction 112
# rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
#- equation: CH3O + OH <=> CH2O + H2O # Reaction 113
# rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0}
#- equation: CH3O + O2 <=> CH2O + HO2 # Reaction 114
# rate-constant: {A: 4.28e-13, b: 7.6, Ea: -3530.0}
#- equation: CH2OH + H (+ M) <=> CH3OH (+ M) # Reaction 115
# type: falloff
# low-P-rate-constant: {A: 3.0e+31, b: -4.8, Ea: 3300.0}
# high-P-rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0}
# Troe: {A: 0.7679, T3: 338.0, T1: 1812.0, T2: 5081.0}
# efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0,
# C2H4: 3.0, C2H2: 3.0}
#- equation: CH3OH + H <=> CH2OH + H2 # Reaction 128
# rate-constant: {A: 1.7e+07, b: 2.1, Ea: 4870.0}
#- equation: CH3OH + H <=> CH3O + H2 # Reaction 129
# rate-constant: {A: 4.2e+06, b: 2.1, Ea: 4870.0}
#- equation: CH3OH + O <=> CH2OH + OH # Reaction 130
# rate-constant: {A: 3.88e+05, b: 2.5, Ea: 3100.0}
#- equation: CH3OH + O <=> CH3O + OH # Reaction 131
# rate-constant: {A: 1.3e+05, b: 2.5, Ea: 5000.0}
#- equation: CH3OH + OH <=> CH2OH + H2O # Reaction 132
# rate-constant: {A: 1.44e+06, b: 2.0, Ea: -840.0}
#- equation: CH3OH + OH <=> CH3O + H2O # Reaction 133
# rate-constant: {A: 6.3e+06, b: 2.0, Ea: 1500.0}
#- equation: CH3OH + CH3 <=> CH2OH + CH4 # Reaction 134
# rate-constant: {A: 3.0e+07, b: 1.5, Ea: 9940.0}
#- equation: CH3OH + CH3 <=> CH3O + CH4 # Reaction 135
# rate-constant: {A: 1.0e+07, b: 1.5, Ea: 9940.0}
#- equation: C2H2 + OH <=> HCCOH + H # Reaction 158
# rate-constant: {A: 5.04e+05, b: 2.3, Ea: 1.35e+04}
#- equation: HCCOH + H <=> CH2CO + H # Reaction 185
# rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
#- equation: C + OH <=> CO + H # Reaction 35
# rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
#- equation: C + O2 <=> CO + O # Reaction 36
# rate-constant: {A: 5.8e+13, b: 0.0, Ea: 576.0}
#- equation: CH + H <=> C + H2 # Reaction 37
# rate-constant: {A: 1.1e+14, b: 0.0, Ea: 0.0}
#- equation: CH2 + C <=> C2H + H # Reaction 60
# rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
#- equation: CH3 + C <=> C2H2 + H # Reaction 96
# rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}