description: |-
  ""

generator: cti2yaml
cantera-version: 2.6.0
date: Mon, 02 Jan 2023 22:12:11 -0800
input-files: [Burke2012.cti]

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

phases:
- name: gas
  thermo: ideal-gas
  elements: [H, O, N, Ar, He, C]
  species: [H, H2, O, OH, H2O, O2, HO2, H2O2, N2, AR, HE, CO, CO2]
  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, 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: 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: 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: {O: 1, H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 3500.0]
    data:
    - [3.99201543, -2.40131752e-03, 4.61793841e-06, -3.88113333e-09, 1.3641147e-12,
      3372.27356, -0.103925458]
    - [3.09288767, 5.48429716e-04, 1.26505228e-07, -8.79461556e-11, 1.17412376e-14,
      3615.85, 4.4766961]
  transport:
    model: gas
    geometry: linear
    diameter: 2.75
    well-depth: 80.0
  note: RUS78
- name: H2O
  composition: {O: 1, H: 2}
  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: 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: 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, 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: 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: 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]
  transport:
    model: gas
    geometry: atom
    diameter: 3.33
    well-depth: 136.5
  note: '120186'
- name: HE
  composition: {He: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1000.0, 6000.0]
    data:
    - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 0.928723974]
    - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 0.928723974]
  transport:
    model: gas
    geometry: atom
    diameter: 2.576
    well-depth: 10.2
  note: L10/90
- name: CO
  composition: {C: 1, O: 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: {C: 1, O: 2}
  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

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: 3.818e+12, b: 0.0, Ea: 7948.0}
  duplicate: true
- equation: O + H2 <=> H + OH  # Reaction 3
  rate-constant: {A: 8.792e+14, b: 0.0, Ea: 1.917e+04}
  duplicate: true
- equation: H2 + OH <=> H2O + H  # Reaction 4
  rate-constant: {A: 2.16e+08, b: 1.51, Ea: 3430.0}
- equation: OH + OH <=> O + H2O  # Reaction 5
  rate-constant: {A: 3.34e+04, b: 2.42, Ea: -1930.0}
- equation: H2 + M <=> H + H + M  # Reaction 6
  type: three-body
  rate-constant: {A: 4.577e+19, b: -1.4, Ea: 1.0438e+05}
  efficiencies: {H2: 2.5, H2O: 12.0, AR: 0.0, CO2: 3.8, HE: 0.0, CO: 1.9}
- equation: H2 + AR <=> H + H + AR  # Reaction 7
  rate-constant: {A: 5.84e+18, b: -1.1, Ea: 1.0438e+05}
- equation: H2 + HE <=> H + H + HE  # Reaction 8
  rate-constant: {A: 5.84e+18, b: -1.1, Ea: 1.0438e+05}
- equation: O + O + M <=> O2 + M  # Reaction 9
  type: three-body
  rate-constant: {A: 6.165e+15, b: -0.5, Ea: 0.0}
  efficiencies: {H2: 2.5, H2O: 12.0, AR: 0.0, CO2: 3.8, HE: 0.0, CO: 1.9}
- equation: O + O + AR <=> O2 + AR  # Reaction 10
  rate-constant: {A: 1.886e+13, b: 0.0, Ea: -1788.0}
- equation: O + O + HE <=> O2 + HE  # Reaction 11
  rate-constant: {A: 1.886e+13, b: 0.0, Ea: -1788.0}
- equation: O + H + M <=> OH + M  # Reaction 12
  type: three-body
  rate-constant: {A: 4.714e+18, b: -1.0, Ea: 0.0}
  efficiencies: {H2: 2.5, H2O: 12.0, AR: 0.75, CO2: 3.8, HE: 0.75, CO: 1.9}
- equation: H2O + M <=> H + OH + M  # Reaction 13
  type: three-body
  rate-constant: {A: 6.064e+27, b: -3.322, Ea: 1.2079e+05}
  efficiencies: {H2: 3.0, N2: 2.0, O2: 1.5, H2O: 0.0, CO2: 3.8, HE: 1.1,
    CO: 1.9}
- equation: H2O + H2O <=> H + OH + H2O  # Reaction 14
  rate-constant: {A: 1.006e+26, b: -2.44, Ea: 1.2018e+05}
- equation: H + O2 (+ M) <=> HO2 (+ M)  # Reaction 15
  type: falloff
  low-P-rate-constant: {A: 6.366e+20, b: -1.72, Ea: 524.8}
  high-P-rate-constant: {A: 4.65084e+12, b: 0.44, Ea: 0.0}
  Troe: {A: 0.5, T3: 1.0e-30, T1: 1.0e+30}
  efficiencies: {H2: 2.0, O2: 0.78, H2O: 14.0, AR: 0.67, CO2: 3.8, HE: 0.8,
    CO: 1.9}
- equation: HO2 + H <=> H2 + O2  # Reaction 16
  rate-constant: {A: 2.75e+06, b: 2.09, Ea: -1451.0}
- equation: HO2 + H <=> OH + OH  # Reaction 17
  rate-constant: {A: 7.079e+13, b: 0.0, Ea: 295.0}
- equation: HO2 + O <=> O2 + OH  # Reaction 18
  rate-constant: {A: 2.85e+10, b: 1.0, Ea: -723.93}
- equation: HO2 + OH <=> H2O + O2  # Reaction 19
  rate-constant: {A: 2.89e+13, b: 0.0, Ea: -497.0}
- equation: HO2 + HO2 <=> H2O2 + O2  # Reaction 20
  rate-constant: {A: 4.2e+14, b: 0.0, Ea: 1.1982e+04}
  duplicate: true
- equation: HO2 + HO2 <=> H2O2 + O2  # Reaction 21
  rate-constant: {A: 1.3e+11, b: 0.0, Ea: -1629.3}
  duplicate: true
- equation: H2O2 (+ M) <=> OH + OH (+ M)  # Reaction 22
  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: {N2: 1.5, H2: 3.7, O2: 1.2, H2O: 7.5, H2O2: 7.7, CO2: 1.6,
    HE: 0.65, CO: 2.8}
- equation: H2O2 + H <=> H2O + OH  # Reaction 23
  rate-constant: {A: 2.41e+13, b: 0.0, Ea: 3970.0}
- equation: H2O2 + H <=> HO2 + H2  # Reaction 24
  rate-constant: {A: 4.82e+13, b: 0.0, Ea: 7950.0}
- equation: H2O2 + O <=> OH + HO2  # Reaction 25
  rate-constant: {A: 9.55e+06, b: 2.0, Ea: 3970.0}
- equation: H2O2 + OH <=> HO2 + H2O  # Reaction 26
  rate-constant: {A: 1.74e+12, b: 0.0, Ea: 318.0}
  duplicate: true
- equation: H2O2 + OH <=> HO2 + H2O  # Reaction 27
  rate-constant: {A: 7.59e+13, b: 0.0, Ea: 7270.0}
  duplicate: true
