generator: cti2yaml
cantera-version: 2.5.1
date: Mon, 27 Sep 2021 21:25:45 -0700
input-files: [airNASA9noions.cti]

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

phases:
- name: gas
  thermo: ideal-gas
  elements: [H, O, N, C, Ar]
  species: [O2, O, N2, N, NO, C, C2, CO, CO2, CN, AR]
  kinetics: gas
  reactions: all
  transport: mixture-averaged
  state:
    T: 300.0
    P: 1.01325e+05

species:
- name: O2
  composition: {O: 2}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [-3.42556342e+04, 484.700097, 1.119010961, 4.29388924e-03, -6.83630052e-07,
      -2.0233727e-09, 1.039040018e-12, -3391.45487, 18.4969947]
    - [-1.037939022e+06, 2344.830282, 1.819732036, 1.267847582e-03, -2.188067988e-07,
      2.053719572e-11, -8.19346705e-16, -1.689010929e+04, 17.38716506]
    - [4.9752943e+08, -2.866106874e+05, 66.9035225, -6.16995902e-03, 3.016396027e-07,
      -7.4214166e-12, 7.27817577e-17, 2.293554027e+06, -553.062161]
  transport:
    model: gas
    geometry: linear
    diameter: 3.458
    well-depth: 107.4
    polarizability: 1.6
    rotational-relaxation: 3.8
  note: Ref-Elm. Gurvich,1989 pt1 p94 pt2 p9. [tpis89]
- name: O
  composition: {O: 1}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [-7953.6113, 160.7177787, 1.966226438, 1.01367031e-03, -1.110415423e-06,
      6.5175075e-10, -1.584779251e-13, 2.840362437e+04, 8.40424182]
    - [2.619020262e+05, -729.872203, 3.31717727, -4.28133436e-04, 1.036104594e-07,
      -9.43830433e-12, 2.725038297e-16, 3.39242806e+04, -0.667958535]
    - [1.779004264e+08, -1.082328257e+05, 28.10778365, -2.975232262e-03,
      1.854997534e-07, -5.79623154e-12, 7.191720164e-17, 8.89094263e+05,
      -218.1728151]
  transport:
    model: gas
    geometry: atom
    diameter: 2.75
    well-depth: 80.0
  note: D0(O2):Brix,1954. Moore,1976. Gordon,1999. [g 5/97]
- name: N2
  composition: {N: 2}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [2.210371497e+04, -381.846182, 6.08273836, -8.53091441e-03, 1.384646189e-05,
      -9.62579362e-09, 2.519705809e-12, 710.846086, -10.76003744]
    - [5.87712406e+05, -2239.249073, 6.06694922, -6.1396855e-04, 1.491806679e-07,
      -1.923105485e-11, 1.061954386e-15, 1.283210415e+04, -15.86640027]
    - [8.31013916e+08, -6.42073354e+05, 202.0264635, -0.03065092046, 2.486903333e-06,
      -9.70595411e-11, 1.437538881e-15, 4.93870704e+06, -1672.09974]
  transport:
    model: gas
    geometry: linear
    diameter: 3.621
    well-depth: 97.53
    polarizability: 1.76
    rotational-relaxation: 4.0
  note: Ref-Elm. Gurvich,1978 pt1 p280 pt2 p207. [tpis78]
- name: N
  composition: {N: 1}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0, 5.61046378e+04, 4.193905036]
    - [8.87650138e+04, -107.12315, 2.362188287, 2.916720081e-04, -1.7295151e-07,
      4.01265788e-11, -2.677227571e-15, 5.69735133e+04, 4.865231506]
    - [5.47518105e+08, -3.10757498e+05, 69.1678274, -6.84798813e-03, 3.8275724e-07,
      -1.098367709e-11, 1.277986024e-16, 2.550585618e+06, -584.8769753]
  transport:
    model: gas
    geometry: atom
    diameter: 3.298
    well-depth: 71.4
  note: Hf:Cox,1989. Moore,1975. Gordon,1999. [g 5/97]
- name: NO
  composition: {N: 1, O: 1}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [-1.143916503e+04, 153.6467592, 3.43146873, -2.668592368e-03, 8.48139912e-06,
      -7.68511105e-09, 2.386797655e-12, 9098.21441, 6.72872549]
    - [2.239018716e+05, -1289.651623, 5.43393603, -3.6560349e-04, 9.88096645e-08,
      -1.416076856e-11, 9.38018462e-16, 1.750317656e+04, -8.50166909]
    - [-9.57530354e+08, 5.91243448e+05, -138.4566826, 0.01694339403, -1.007351096e-06,
      2.912584076e-11, -3.29510935e-16, -4.67750124e+06, 1242.081216]
  transport:
    model: gas
    geometry: linear
    diameter: 3.621
    well-depth: 97.53
    polarizability: 1.76
    rotational-relaxation: 4.0
  note: Gurvich,1978,1989 pt1 p326 pt2 p203. [tpis89]
- name: C
  composition: {C: 1}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [649.503147, -0.964901086, 2.504675479, -1.281448025e-05, 1.980133654e-08,
      -1.606144025e-11, 5.314483411e-15, 8.54576311e+04, 4.747924288]
    - [-1.289136472e+05, 171.9528572, 2.646044387, -3.35306895e-04, 1.74209274e-07,
      -2.902817829e-11, 1.642182385e-15, 8.41059785e+04, 4.130047418]
    - [4.43252801e+08, -2.886018412e+05, 77.3710832, -9.71528189e-03, 6.64959533e-07,
      -2.230078776e-11, 2.899388702e-16, 2.355273444e+06, -640.512316]
  transport:
    model: gas
    geometry: atom
    diameter: 3.298
    well-depth: 71.4
  note: Hf:CJP v33 1955 p125. NSRDS-NBS 3 sec3 1970. [g 7/97]
- name: C2
  composition: {C: 2}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [5.55956757e+05, -9980.00622, 66.8153991, -0.1743411727, 2.44849356e-04,
      -1.703447061e-07, 4.6844713e-11, 1.445863861e+05, -344.818892]
    - [-9.68890957e+05, 3560.9902, -0.506351169, 2.945092805e-03, -7.13928908e-07,
      8.67047006e-11, -4.0768167e-15, 7.68186e+04, 33.39896056]
    - [6.31616742e+06, 1.365344126e+04, -3.99672321, 1.937523033e-03, -1.584418225e-07,
      5.52076555e-12, -7.25360969e-17, 9392.90526, 66.14126766]
  transport:
    model: gas
    geometry: linear
    diameter: 3.621
    well-depth: 97.53
    polarizability: 1.76
    rotational-relaxation: 4.0
  note: Gurvich et.al.1991,v2,pt1,pp9-14,pt2,pp8-9.8/93 [tpis91]
- name: CO
  composition: {C: 1, O: 1}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [1.489027557e+04, -292.2250947, 5.72445841, -8.17613694e-03, 1.456885983e-05,
      -1.087733246e-08, 3.027905485e-12, -1.303069697e+04, -7.859179282]
    - [4.61915856e+05, -1944.685748, 5.91664709, -5.66423407e-04, 1.398802571e-07,
      -1.787664983e-11, 9.6208504e-16, -2465.738441, -13.87402604]
    - [8.86855241e+08, -7.50028541e+05, 249.5444488, -0.0395630299, 3.2977321e-06,
      -1.318393976e-10, 1.998913781e-15, 5.70135124e+06, -2060.679613]
  transport:
    model: gas
    geometry: linear
    diameter: 3.65
    well-depth: 98.1
    polarizability: 1.95
    rotational-relaxation: 1.8
  note: 'Props & Hf298: TPIS vo2,pt2,1979,p29. [tpis79]'
- name: CO2
  composition: {C: 1, O: 2}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [4.94378364e+04, -626.429208, 5.30181336, 2.503600571e-03, -2.124700099e-07,
      -7.6914868e-10, 2.849979913e-13, -4.52818986e+04, -7.0487901]
    - [1.176969434e+05, -1788.801467, 8.29154353, -9.22477831e-05, 4.86963541e-09,
      -1.892063841e-12, 6.33067509e-16, -3.90834501e+04, -26.52683962]
    - [-1.544406228e+09, 1.016836139e+06, -256.1377096, 0.0336936393, -2.181157911e-06,
      6.99132485e-11, -8.84221214e-16, -8.0431285e+06, 2254.153243]
  transport:
    model: gas
    geometry: linear
    diameter: 3.763
    well-depth: 244.0
    polarizability: 2.65
    rotational-relaxation: 2.1
  note: 'Props & Hf298: TPIS v2,pt1,1991,p27. [g 7/88]'
- name: CN
  composition: {N: 1, C: 1}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [3949.10175, -139.1573871, 4.93077604, -6.30459473e-03, 1.256821364e-05,
      -9.87818175e-09, 2.84310304e-12, 5.2284547e+04, -2.763114588]
    - [-2.227976079e+06, 5040.66445, -0.2121794479, 1.354881217e-03, 1.325922767e-07,
      -6.936934e-11, 5.49489162e-15, 1.784542332e+04, 32.8251552]
    - [-1.794773071e+08, 1.054331428e+05, -17.29598876, 2.194863831e-03,
      -8.50880168e-08, 9.3184683e-13, 6.35821408e-18, -7.96247645e+05, 191.3112387]
  transport:
    model: gas
    geometry: linear
    diameter: 3.856
    well-depth: 75.0
    rotational-relaxation: 1.0
  note: Props:TPIS v2 pt2 1991. Hf:JPC v96 1992 p425. [g 3/96]
- name: AR
  composition: {Ar: 1}
  thermo:
    model: NASA9
    temperature-ranges: [200.0, 1000.0, 6000.0, 2.0e+04]
    data:
    - [0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.37967491]
    - [20.10538475, -0.0599266107, 2.500069401, -3.99214116e-08, 1.20527214e-11,
      -1.819015576e-15, 1.078576636e-19, -744.993961, 4.37918011]
    - [-9.95126508e+08, 6.45888726e+05, -167.5894697, 0.02319933363, -1.721080911e-06,
      6.53193846e-11, -9.740147729e-16, -5.07830034e+06, 1465.298484]
  transport:
    model: gas
    geometry: atom
    diameter: 3.33
    well-depth: 136.5
  note: Ref-Elm. Moore,1971. Gordon,1999. [g 3/98]

reactions:
- equation: CO2 + M <=> CO + O + M  # Reaction 1
  type: three-body
  rate-constant: {A: 6.9e+20, b: -1.5, Ea: 1.2575e+05}
  efficiencies: {CO: 10.0, N: 20.0, C: 20.0, NO: 10.0, O: 20.0, C2: 10.0,
    N2: 10.0, CN: 10.0, CO2: 10.0, AR: 1.0, O2: 10.0}
- equation: CO + M <=> C + O + M  # Reaction 2
  type: three-body
  rate-constant: {A: 1.2e+20, b: -1.0, Ea: 2.56349e+05}
  efficiencies: {CO: 10.0, N: 15.0, C: 15.0, NO: 10.0, O: 15.0, C2: 10.0,
    N2: 10.0, CN: 10.0, CO2: 10.0, AR: 1.0, O2: 10.0}
- equation: C2 + M <=> C + C + M  # Reaction 3
  type: three-body
  rate-constant: {A: 4.5e+18, b: -1.0, Ea: 1.42085e+05}
- equation: CN + M <=> C + N + M  # Reaction 4
  type: three-body
  rate-constant: {A: 6.0e+15, b: -0.4, Ea: 1.41091e+05}
- equation: N2 + M <=> N + N + M  # Reaction 5
  type: three-body
  rate-constant: {A: 7.0e+21, b: -1.6, Ea: 2.24951e+05}
  efficiencies: {CO: 1.0, N: 4.28, C: 4.28, NO: 1.0, O: 4.28, C2: 1.0, N2: 1.0,
    CN: 1.0, CO2: 1.0, AR: 1.0, O2: 1.0}
- equation: NO + M <=> N + O + M  # Reaction 6
  type: three-body
  rate-constant: {A: 2.0e+15, b: 0.0, Ea: 1.50034e+05}
  efficiencies: {CO: 1.0, N: 22.0, C: 22.0, NO: 22.0, O: 22.0, C2: 1.0,
    N2: 1.0, CN: 1.0, CO2: 22.0, AR: 1.0, O2: 1.0}
- equation: O2 + M <=> O + O + M  # Reaction 7
  type: three-body
  rate-constant: {A: 2.0e+21, b: -1.5, Ea: 1.1796e+05}
  efficiencies: {CO: 1.0, N: 5.0, C: 5.0, NO: 1.0, O: 5.0, C2: 1.0, N2: 1.0,
    CN: 1.0, CO2: 1.0, AR: 1.0, O2: 1.0}
- equation: CO2 + O <=> O2 + CO  # Reaction 8
  rate-constant: {A: 2.71e+14, b: 0.0, Ea: 6.71674e+04}
- equation: CO + C <=> C2 + O  # Reaction 9
  rate-constant: {A: 2.4e+17, b: -1.0, Ea: 1.15258e+05}
- equation: CO + N <=> CN + O  # Reaction 10
  rate-constant: {A: 1.0e+15, b: 0.0, Ea: 7.67059e+04}
- equation: CO + NO <=> CO2 + N  # Reaction 11
  rate-constant: {A: 3.0e+06, b: 0.88, Ea: 2.64298e+04}
- equation: CO + O <=> O2 + C  # Reaction 12
  rate-constant: {A: 3.9e+13, b: -0.18, Ea: 1.37514e+05}
- equation: C2 + N2 <=> CN + CN  # Reaction 13
  rate-constant: {A: 1.5e+13, b: 0.0, Ea: 4.17312e+04}
- equation: CN + C <=> C2 + N  # Reaction 14
  rate-constant: {A: 3.0e+14, b: 0.0, Ea: 3.59683e+04}
- equation: CN + O <=> NO + C  # Reaction 15
  rate-constant: {A: 1.6e+12, b: 0.1, Ea: 2.90131e+04}
- equation: N + CO <=> NO + C  # Reaction 16
  rate-constant: {A: 1.1e+14, b: 0.07, Ea: 1.06315e+05}
- equation: N2 + C <=> CN + N  # Reaction 17
  rate-constant: {A: 1.1e+14, b: -0.11, Ea: 4.6103e+04}
- equation: N2 + CO <=> CN + NO  # Reaction 18
  rate-constant: {A: 1.2e+16, b: -1.23, Ea: 1.53014e+05}
- equation: N2 + O <=> NO + N  # Reaction 19
  rate-constant: {A: 6.0e+13, b: 0.1, Ea: 7.55514e+04}
- equation: O2 + N <=> NO + O  # Reaction 20
  rate-constant: {A: 2.49e+09, b: 1.18, Ea: 7968.67}
