uiuc_20sp.yaml

description: |-
  "an optimized reaction model of H2/CO combustion
   http://ignis.usc.edu/Mechanisms/H2-CO/mech.txt"

generator: cti2yaml
cantera-version: 2.6.0
date: Sat, 24 Sep 2022 10:26:00 -0500
input-files: [Davis2005.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, O2, O, H2O, CO, CO2, OH, HCO, HO2, H2O2, C2H3, C2H2, CH4, CH3, CH2, CH2O, CH2CHO, 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: [200.0, 1000.0, 3500.0]
    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: TPIS78
- name: H
  composition: {H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    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: L7/88
- 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: '121286'
- 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]
  transport:
    model: gas
    geometry: atom
    diameter: 2.75
    well-depth: 80.0
  note: L1/90
- name: OH
  composition: {H: 1, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    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: S9/01
- name: HO2
  composition: {H: 1, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    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: L5/89
- name: H2O
  composition: {H: 2, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    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: L8/89
- name: CO
  composition: {C: 1, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    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: TPIS79
- 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]
  transport:
    model: gas
    geometry: linear
    diameter: 3.458
    well-depth: 107.4
    polarizability: 1.6
    rotational-relaxation: 3.8
  note: TPIS89
- name: H2O2
  composition: {H: 2, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    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: L7/88
- name: CO2
  composition: {C: 1, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    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: L7/88
- 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: 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: 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: 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: 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'

reactions:

- equation: H + O2 <=> O + OH  # Reaction 1
  rate-constant: {A: 2.644e+16, b: -0.6707, Ea: 1.7041e+04}
- equation: O + H2 <=> H + OH  # Reaction 2
  rate-constant: {A: 4.589e+04, b: 2.7, Ea: 6260.0}
- equation: OH + H2 <=> H + H2O  # Reaction 3
  rate-constant: {A: 1.734e+08, b: 1.51, Ea: 3430.0}
- equation: OH + OH <=> O + H2O  # Reaction 4
  rate-constant: {A: 3.973e+04, b: 2.4, Ea: -2110.0}

##- equation: H + H + M <=> H2 + M  # Reaction 5
##  type: three-body
##  rate-constant: {A: 1.78e+18, b: -1.0, Ea: 0.0}
##  efficiencies: {H2: 0.0, CO2: 0.0, H2O: 0.0}
##- 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: 5.624e+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: 4.4e+22, b: -2.0, Ea: 0.0}
  efficiencies: {H2: 2.0, H2O: 6.3, CO2: 3.6, CO: 1.75}

- equation: O + H + M <=> OH + M  # Reaction 10
  type: three-body
  rate-constant: {A: 9.428e+18, b: -1.0, Ea: 0.0}
  efficiencies: {H2: 2.0, H2O: 12.0, CO2: 3.6, CO: 1.75}

- equation: O + O + M <=> O2 + M  # Reaction 11
  type: three-body
  rate-constant: {A: 1.2e+17, b: -1.0, Ea: 0.0}
  efficiencies: {H2: 2.4, H2O: 15.4, CO2: 3.6, CO: 1.75}

##- equation: H + O2 (+ M) <=> HO2 (+ M)  # Reaction 12
##  type: falloff
##  low-P-rate-constant: {A: 6.328e+19, b: -1.4, Ea: 0.0}
##  high-P-rate-constant: {A: 5.116e+12, b: 0.44, Ea: 0.0}
##  Troe: {A: 0.5, T3: 1.0e-30, T1: 1.0e+30}
##  efficiencies: {O2: 0.85, H2O: 11.89, CO2: 2.18, CO: 1.09, H2: 0.75}
- 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, C2H3: 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: H2 + O2 <=> HO2 + H  # Reaction 13
  rate-constant: {A: 5.916e+05, b: 2.433, Ea: 5.3502e+04}
- equation: HO2 + H <=> O + H2O  # Reaction 15
  rate-constant: {A: 3.97e+12, b: 0.0, Ea: 671.0}
- equation: HO2 + H <=> OH + OH  # Reaction 16
  rate-constant: {A: 7.485e+13, b: 0.0, Ea: 295.0}
- equation: HO2 + O <=> OH + O2  # Reaction 17
  rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0}
- equation: HO2 + OH <=> O2 + H2O  # USC Reaction 22
  rate-constant: {A: 4.64e+13, b: 0.0, Ea: -500.0}

- equation: CO + HO2 <=> CO2 + OH  # Reaction 31
  rate-constant: {A: 3.01e+13, b: 0.0, Ea: 2.3e+04}
- equation: CO + OH <=> CO2 + H  # USC, Reaction 31
  rate-constant: {A: 4.76e+07, b: 1.228, Ea: 70.0}
- equation: CO + O2 <=> CO2 + O  # Reaction 30
  rate-constant: {A: 1.119e+12, b: 0.0, Ea: 4.77e+04}
- equation: CO + O + M <=> CO2 + M  # Reaction 27
  type: three-body
  rate-constant: {A: 1.362e+10, b: 0.0, Ea: 2384.0}
  efficiencies: {H2: 2.0, H2O: 12.0, CO2: 3.6, CO: 1.75}

##- 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, C2H3: 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, C2H4: 3.0, C2H3: 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, C2H4: 3.0, C2H3: 3.0, C2H2: 3.0}
- equation: CH2 + H + M <=> CH3 + M  # Reaction 52
  type: three-body
#  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}
  rate-constant: {A: 2.5e+16, b: -0.8, Ea: 0.0}
  efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, C2H4: 3.0, C2H3: 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 + 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 + CH2 <=> C2H4 + H  # Reaction 101
  rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0}

- 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, C2H4: 3.0, C2H3: 3.0, C2H2: 3.0}
- equation: C2H3 + H + M <=> C2H4 + M #  Reaction 186
  type: three-body
#  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}
  rate-constant: {A: 6.08e+12, b: 0.27, Ea: 280.0}
  efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, C2H4: 3.0, C2H3: 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 + HCO <=> C2H4 + CO  # Reaction 197
##  rate-constant: {A: 9.033e+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 + 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}

- 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: 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: 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 + 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: 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 + CH3 <=> C2H2 + CH4  # Reaction 198
  rate-constant: {A: 3.92e+11, b: 0.0, Ea: 0.0}
- equation: C2H4 + CH3 <=> C2H3 + CH4  # Reaction 240
  rate-constant: {A: 2.27e+05, b: 2.0, Ea: 9200.0}