description: |-
  ""

generator: cti2yaml
cantera-version: 2.6.0
date: Mon, 02 Jan 2023 22:28:19 -0800
input-files: [Keromnes2013.cti]

units: {length: cm, quantity: mol, activation-energy: cal/mol}

phases:
- name: gas
  thermo: ideal-gas
  elements: [C, H, N, O, Ar, He]
  species: [H, H2, O, O2, OH, OH*, H2O, N2, HO2, H2O2, AR, CO, CO2, HE,
    HCO]
  kinetics: gas
  reactions: all
  transport: mixture-averaged
  state:
    T: 300.0
    P: 1.01325e+05

species:
- name: H
  composition: {H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.5, 0.0, 0.0, 0.0, 0.0, 2.547366e+04, -0.44668285]
    - [2.5, 0.0, 0.0, 0.0, 0.0, 2.547366e+04, -0.44668285]
  transport:
    model: gas
    geometry: atom
    diameter: 2.05
    well-depth: 145.0
  note: L6/94
- name: H2
  composition: {H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.298124, 8.249442e-04, -8.143015e-07, -9.475434e-11, 4.134872e-13,
      -1012.521, -3.294094]
    - [2.991423, 7.000644e-04, -5.633829e-08, -9.231578e-12, 1.582752e-15,
      -835.034, -1.35511]
  transport:
    model: gas
    geometry: linear
    diameter: 2.92
    well-depth: 38.0
    polarizability: 0.79
    rotational-relaxation: 280.0
  note: '121286'
- name: O
  composition: {O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [2.946429, -1.638166e-03, 2.421032e-06, -1.602843e-09, 3.890696e-13,
      2.914764e+04, 2.963995]
    - [2.54206, -2.755062e-05, -3.102803e-09, 4.551067e-12, -4.368052e-16,
      2.92308e+04, 4.920308]
  transport:
    model: gas
    geometry: atom
    diameter: 2.75
    well-depth: 80.0
  note: '120186'
- name: O2
  composition: {O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.212936, 1.127486e-03, -5.75615e-07, 1.313877e-09, -8.768554e-13,
      -1005.249, 6.034738]
    - [3.697578, 6.135197e-04, -1.258842e-07, 1.775281e-11, -1.136435e-15,
      -1233.93, 3.189166]
  transport:
    model: gas
    geometry: linear
    diameter: 3.458
    well-depth: 107.4
    polarizability: 1.6
    rotational-relaxation: 3.8
  note: '121386'
- name: OH
  composition: {O: 1, H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [3.99198424, -2.40106655e-03, 4.61664033e-06, -3.87916306e-09, 1.36319502e-12,
      3368.89836, -0.103998477]
    - [2.83853033, 1.10741289e-03, -2.94000209e-07, 4.20698729e-11, -2.4228989e-15,
      3697.80808, 5.84494652]
  transport:
    model: gas
    geometry: linear
    diameter: 2.75
    well-depth: 80.0
  note: IU3/03
- name: OH*
  composition: {O: 1, H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.637266, 1.85091e-04, -1.6761646e-06, 2.387202e-09, -8.431442e-13,
      5.00213e+04, 1.3588605]
    - [2.88273, 1.0139743e-03, -2.276877e-07, 2.174683e-11, -5.126305e-16,
      5.0265e+04, 5.595712]
  transport:
    model: gas
    geometry: linear
    diameter: 2.75
    well-depth: 80.0
  note: '121286'
- name: H2O
  composition: {O: 1, H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.386842, 3.474982e-03, -6.354696e-06, 6.968581e-09, -2.506588e-12,
      -3.020811e+04, 2.590233]
    - [2.672146, 3.056293e-03, -8.73026e-07, 1.200996e-10, -6.391618e-15,
      -2.989921e+04, 6.862817]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 2.605
    well-depth: 572.4
    dipole: 1.844
    rotational-relaxation: 4.0
  note: '20387'
- name: N2
  composition: {N: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [3.298677, 1.40824e-03, -3.963222e-06, 5.641515e-09, -2.444855e-12,
      -1020.9, 3.950372]
    - [2.92664, 1.487977e-03, -5.684761e-07, 1.009704e-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: HO2
  composition: {O: 2, H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 5000.0]
    data:
    - [4.30179807, -4.74912097e-03, 2.11582905e-05, -2.42763914e-08, 9.29225225e-12,
      264.018485, 3.7166622]
    - [4.17228741, 1.88117627e-03, -3.46277286e-07, 1.94657549e-11, 1.76256905e-16,
      31.0206839, 2.95767672]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.458
    well-depth: 107.4
    rotational-relaxation: 1.0
  note: T1/09
- name: H2O2
  composition: {O: 2, H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [4.31515149, -8.47390622e-04, 1.76404323e-05, -2.26762944e-08, 9.08950158e-12,
      -1.77067437e+04, 3.27373319]
    - [4.57977305, 4.05326003e-03, -1.2984473e-06, 1.982114e-10, -1.13968792e-14,
      -1.80071775e+04, 0.664970694]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.458
    well-depth: 107.4
    rotational-relaxation: 3.8
  note: T8/03
- 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, 4.366001]
    - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366001]
  transport:
    model: gas
    geometry: atom
    diameter: 3.33
    well-depth: 136.5
  note: '120186'
- name: CO
  composition: {O: 1, C: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1429.0, 5000.0]
    data:
    - [3.19036352, 8.94419972e-04, -3.24927563e-08, -1.04599967e-10, 2.41965693e-14,
      -1.42869054e+04, 5.33277914]
    - [3.1121689, 1.15948283e-03, -3.38480362e-07, 4.41403098e-11, -2.12862228e-15,
      -1.42718539e+04, 5.71725177]
  transport:
    model: gas
    geometry: linear
    diameter: 3.65
    well-depth: 98.1
    polarizability: 1.95
    rotational-relaxation: 1.8
  note: 29/11/04
- name: CO2
  composition: {O: 2, C: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1380.0, 5000.0]
    data:
    - [2.5793049, 8.24684987e-03, -6.42716047e-06, 2.54637024e-09, -4.12030443e-13,
      -4.8416283e+04, 8.81141041]
    - [5.18953018, 2.06006476e-03, -7.33575324e-07, 1.17004374e-10, -6.91729215e-15,
      -4.93178953e+04, -5.18289303]
  transport:
    model: gas
    geometry: linear
    diameter: 3.763
    well-depth: 244.0
    polarizability: 2.65
    rotational-relaxation: 2.1
  note: 29/11/04
- name: HE
  composition: {He: 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, 0.9153488]
    - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 0.9153489]
  transport:
    model: gas
    geometry: atom
    diameter: 2.576
    well-depth: 10.2
  note: '120186'
- name: HCO
  composition: {O: 1, H: 1, C: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1690.0, 5000.0]
    data:
    - [3.81049965, 8.13269825e-04, 3.13164701e-06, -2.39478268e-09, 5.06894554e-13,
      4038.59901, 4.94843165]
    - [3.44148164, 3.52157719e-03, -1.24136118e-06, 1.97328644e-10, -1.16538616e-14,
      3974.09684, 6.24593456]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.59
    well-depth: 498.0
  note: 29/11/04

reactions:
- equation: H + O2 <=> O + OH  # Reaction 1
  rate-constant: {A: 1.04e+14, b: 0.0, Ea: 1.5286e+04}
- equation: O + H2 <=> H + OH  # Reaction 2
  rate-constant: {A: 5.08e+04, b: 2.67, Ea: 6292.0}
- equation: OH + H2 <=> H + H2O  # Reaction 3
  rate-constant: {A: 4.38e+13, b: 0.0, Ea: 6990.0}
- equation: O + H2O <=> OH + OH  # Reaction 4
  rate-constant: {A: 2.97e+06, b: 2.02, Ea: 1.34e+04}
- equation: H2 + M <=> H + H + M  # Reaction 5
  type: three-body
  rate-constant: {A: 4.577e+19, b: -1.4, Ea: 1.044e+05}
  efficiencies: {CO: 1.9, H2O: 12.0, HE: 0.83, H2: 2.5, CO2: 3.8}
- equation: O + O + M <=> O2 + M  # Reaction 6
  type: three-body
  rate-constant: {A: 6.165e+15, b: -0.5, Ea: 0.0}
  efficiencies: {CO: 1.9, H2: 2.5, CO2: 3.8, H2O: 12.0, HE: 0.83, AR: 0.83}
- equation: O + H + M <=> OH + M  # Reaction 7
  type: three-body
  rate-constant: {A: 4.714e+18, b: -1.0, Ea: 0.0}
  efficiencies: {CO: 1.5, H2: 2.5, CO2: 2.0, H2O: 12.0, HE: 0.75, AR: 0.75}
- equation: H + OH + M <=> H2O + M  # Reaction 8
  type: three-body
  rate-constant: {A: 3.5e+22, b: -2.0, Ea: 0.0}
  efficiencies: {H2: 0.73, H2O: 3.65, AR: 0.38}
- equation: H + O2 (+ M) <=> HO2 (+ M)  # Reaction 9
  type: falloff
  low-P-rate-constant: {A: 1.737e+19, b: -1.23, Ea: 0.0}
  high-P-rate-constant: {A: 4.65e+12, b: 0.44, Ea: 0.0}
  Troe: {A: 0.67, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30}
  efficiencies: {CO: 1.9, H2O: 10.0, CO2: 3.8, H2: 1.3, HE: 0.0, AR: 0.0}
- equation: H + O2 (+ HE) <=> HO2 (+ HE)  # Reaction 10
  type: falloff
  low-P-rate-constant: {A: 9.192e+18, b: -1.2, Ea: 0.0}
  high-P-rate-constant: {A: 4.65e+12, b: 0.44, Ea: 0.0}
  Troe: {A: 0.59, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30}
- equation: H + O2 (+ AR) <=> HO2 (+ AR)  # Reaction 11
  type: falloff
  low-P-rate-constant: {A: 6.81e+18, b: -1.2, Ea: 0.0}
  high-P-rate-constant: {A: 4.65e+12, b: 0.44, Ea: 0.0}
  Troe: {A: 0.7, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30}
- equation: HO2 + H <=> OH + OH  # Reaction 12
  rate-constant: {A: 7.079e+13, b: 0.0, Ea: 295.0}
- equation: H2 + O2 <=> H + HO2  # Reaction 13
  rate-constant: {A: 5.176e+05, b: 2.433, Ea: 5.3502e+04}
- equation: HO2 + O <=> OH + O2  # Reaction 14
  rate-constant: {A: 3.25e+13, b: 0.0, Ea: 0.0}
- equation: HO2 + OH <=> H2O + O2  # Reaction 15
  rate-constant: {A: 2.456e+13, b: 0.0, Ea: -497.0}
- equation: HO2 + HO2 <=> O2 + H2O2  # Reaction 16
  rate-constant: {A: 1.3e+11, b: 0.0, Ea: -1630.0}
  duplicate: true
- equation: HO2 + HO2 <=> O2 + H2O2  # Reaction 17
  rate-constant: {A: 3.658e+14, b: 0.0, Ea: 1.2e+04}
  duplicate: true
- equation: H2O2 (+ M) <=> OH + OH (+ M)  # Reaction 18
  type: falloff
  low-P-rate-constant: {A: 2.49e+24, b: -2.3, Ea: 4.8749e+04}
  high-P-rate-constant: {A: 2.0e+12, b: 0.9, Ea: 4.8749e+04}
  Troe: {A: 0.43, T3: 1.0e-30, T1: 1.0e+30}
  efficiencies: {CO: 2.8, HE: 0.65, N2: 1.5, O2: 1.2, H2: 3.7, CO2: 1.6,
    H2O2: 7.7, H2O: 0.0}
- equation: H2O2 (+ H2O) <=> OH + OH (+ H2O)  # Reaction 19
  type: falloff
  low-P-rate-constant: {A: 1.865e+25, b: -2.3, Ea: 4.8749e+04}
  high-P-rate-constant: {A: 2.0e+12, b: 0.9, Ea: 4.8749e+04}
  Troe: {A: 0.51, T3: 1.0e-30, T1: 1.0e+30}
- equation: H2O2 + H <=> H2O + OH  # Reaction 20
  rate-constant: {A: 2.41e+13, b: 0.0, Ea: 3970.0}
- equation: H2O2 + H <=> H2 + HO2  # Reaction 21
  rate-constant: {A: 2.15e+10, b: 1.0, Ea: 6000.0}
- equation: H2O2 + O <=> OH + HO2  # Reaction 22
  rate-constant: {A: 9.55e+06, b: 2.0, Ea: 3970.0}
- equation: H2O2 + OH <=> H2O + HO2  # Reaction 23
  rate-constant: {A: 1.74e+12, b: 0.0, Ea: 318.0}
  duplicate: true
- equation: H2O2 + OH <=> H2O + HO2  # Reaction 24
  rate-constant: {A: 7.59e+13, b: 0.0, Ea: 7269.0}
  duplicate: true
- equation: CO + O (+ M) <=> CO2 (+ M)  # Reaction 25
  type: falloff
  low-P-rate-constant: {A: 1.173e+24, b: -2.79, Ea: 4191.0}
  high-P-rate-constant: {A: 1.362e+10, b: 0.0, Ea: 2384.0}
  efficiencies: {CO: 1.75, H2: 2.0, CO2: 3.6, H2O: 12.0, HE: 0.7, AR: 0.7}
- equation: CO + O2 <=> CO2 + O  # Reaction 26
  rate-constant: {A: 1.119e+12, b: 0.0, Ea: 4.77e+04}
- equation: CO + OH <=> CO2 + H  # Reaction 27
  rate-constant: {A: 7.015e+04, b: 2.053, Ea: -355.67}
  duplicate: true
- equation: CO + OH <=> CO2 + H  # Reaction 28
  rate-constant: {A: 5.757e+12, b: -0.664, Ea: 331.83}
  duplicate: true
- equation: CO + HO2 <=> CO2 + OH  # Reaction 29
  rate-constant: {A: 1.57e+05, b: 2.18, Ea: 1.794e+04}
- equation: HCO + M <=> H + CO + M  # Reaction 30
  type: three-body
  rate-constant: {A: 4.75e+11, b: 0.66, Ea: 1.487e+04}
  efficiencies: {CO: 1.5, H2: 2.0, H2O: 12.0, CO2: 2.0}
- equation: HCO + O2 <=> CO + HO2  # Reaction 31
  rate-constant: {A: 7.58e+12, b: 0.0, Ea: 410.0}
- equation: HCO + H <=> CO + H2  # Reaction 32
  rate-constant: {A: 7.34e+13, b: 0.0, Ea: 0.0}
- equation: HCO + O <=> CO + OH  # Reaction 33
  rate-constant: {A: 3.02e+13, b: 0.0, Ea: 0.0}
- equation: HCO + O <=> CO2 + H  # Reaction 34
  rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: HCO + OH <=> CO + H2O  # Reaction 35
  rate-constant: {A: 1.02e+14, b: 0.0, Ea: 0.0}
- equation: HCO + HO2 => CO2 + H + OH  # Reaction 36
  rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
- equation: HCO + HCO => H2 + CO + CO  # Reaction 37
  rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0}
- equation: H + O + M <=> OH* + M  # Reaction 38
  type: three-body
  rate-constant: {A: 1.5e+13, b: 0.0, Ea: 5975.0}
  efficiencies: {H2: 1.0, O2: 0.4, H2O: 6.5, N2: 0.4, AR: 0.35}
- equation: OH* + H2O <=> OH + H2O  # Reaction 39
  rate-constant: {A: 5.93e+12, b: 0.5, Ea: -860.0}
- equation: OH* + H2 <=> OH + H2  # Reaction 40
  rate-constant: {A: 2.95e+12, b: 0.5, Ea: -444.0}
- equation: OH* + N2 <=> OH + N2  # Reaction 41
  rate-constant: {A: 1.08e+11, b: 0.5, Ea: -1242.0}
- equation: OH* + OH <=> OH + OH  # Reaction 42
  rate-constant: {A: 6.01e+12, b: 0.5, Ea: -764.0}
- equation: OH* + H <=> OH + H  # Reaction 43
  rate-constant: {A: 1.31e+12, b: 0.5, Ea: -167.0}
- equation: OH* + O2 <=> OH + O2  # Reaction 44
  rate-constant: {A: 2.1e+12, b: 0.5, Ea: -478.0}
- equation: OH* + CO2 <=> OH + CO2  # Reaction 45
  rate-constant: {A: 2.75e+12, b: 0.5, Ea: -968.0}
- equation: OH* + CO <=> OH + CO  # Reaction 46
  rate-constant: {A: 3.23e+12, b: 0.5, Ea: -787.0}
- equation: OH* + AR <=> OH + AR  # Reaction 47
  rate-constant: {A: 1.69e+12, b: 0.0, Ea: 4135.0}
- equation: OH* => OH  # Reaction 48
  rate-constant: {A: 1.45e+06, b: 0.0, Ea: 0.0}
