description: |-
  ---------------------------------------------------------------------------
    CTI File converted from Solution Object
  ---------------------------------------------------------------------------

generator: cti2yaml
cantera-version: 3.0.0
date: Fri, 11 Jul 2025 17:31:53 +0200
input-files: [JETA_30_522_22_AP.cti]

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

phases:
- name: gas
  thermo: ideal-gas
  elements: [N, H, O, C]
  species: [N2, H2, H, O2, O, H2O, OH, HO2, CO, CO2, CH4, CH3, CH2O, C2H5,
    C2H4, C2H2, C3H6, C3H4-A, C4H8-1, NC5H11, NC5H10, NC7H15, NC7H14, MCYC6,
    NC12H26, XYLENE, RXYLENE, C6H4, C3H7(L1), CH3O(L1)]
  kinetics: custom
  reactions: all
  state:
    T: 300.0
    P: 1.01325e+05

species:
- name: N2
  composition: {N: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1050.0, 3500.0]
    data:
    - [3.73100682, -1.8315973e-03, 4.32324662e-06, -3.04378151e-09, 7.46071562e-13,
      -1062.87426, 2.16821198]
    - [2.81166073, 1.67067353e-03, -6.79997428e-07, 1.32881379e-10, -1.02767442e-14,
      -869.811579, 6.6483805]
  transport:
    model: gas
    geometry: linear
    diameter: 3.621
    well-depth: 97.53
    polarizability: 1.76
    rotational-relaxation: 4.0
- name: H2
  composition: {H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 700.0, 3500.0]
    data:
    - [2.64204438, 5.49529274e-03, -1.27163634e-05, 1.28749173e-08, -4.70027749e-12,
      -943.236614, -0.512231102]
    - [3.78199881, -1.01873259e-03, 1.24226233e-06, -4.19011898e-10, 4.75543793e-14,
      -1102.83023, -5.6052591]
  transport:
    model: gas
    geometry: linear
    diameter: 2.9200000000000004
    well-depth: 38.0
    polarizability: 0.7900000000000001
    rotational-relaxation: 280.0
- name: H
  composition: {H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 860.0, 3500.0]
    data:
    - [2.49950544, 2.99164046e-06, -5.92759759e-09, 4.87810165e-12, -1.4553932e-15,
      2.54737866e+04, -0.444574018]
    - [2.50031493, -7.73406828e-07, 6.39345346e-10, -2.12551791e-13, 2.44479191e-17,
      2.54736474e+04, -0.448357228]
  transport:
    model: gas
    geometry: atom
    diameter: 2.05
    well-depth: 145.0
- name: O2
  composition: {O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 700.0, 3500.0]
    data:
    - [3.74403921, -2.79740147e-03, 9.80122558e-06, -1.03259643e-08, 3.79931247e-12,
      -1060.69827, 3.82132646]
    - [2.82012408, 2.48211357e-03, -1.51202094e-06, 4.48556201e-10, -4.87305668e-14,
      -931.350148, 7.94914552]
  transport:
    model: gas
    geometry: linear
    diameter: 3.458
    well-depth: 107.4
    polarizability: 1.6
    rotational-relaxation: 3.8
- name: O
  composition: {O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 720.0, 3500.0]
    data:
    - [3.14799201, -3.11174065e-03, 6.18137897e-06, -5.63808798e-09, 1.94866016e-12,
      2.91309118e+04, 2.13446549]
    - [2.62549143, -2.08959644e-04, 1.33918546e-07, -3.85875896e-11, 4.38918689e-15,
      2.92061519e+04, 4.48358519]
  transport:
    model: gas
    geometry: atom
    diameter: 2.7500000000000004
    well-depth: 80.0
- name: H2O
  composition: {H: 2, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1420.0, 3500.0]
    data:
    - [4.06061172, -8.65807189e-04, 3.24409528e-06, -1.80243079e-09, 3.32483293e-13,
      -3.02831314e+04, -0.296150481]
    - [2.66777075, 3.05768849e-03, -9.00442411e-07, 1.43361552e-10, -1.00857817e-14,
      -2.98875645e+04, 6.91191131]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 2.6050000000000004
    well-depth: 572.4
    dipole: 1.8440005262719967
    rotational-relaxation: 4.0
- name: OH
  composition: {H: 1, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1700.0, 3500.0]
    data:
    - [3.91354631, -1.66275926e-03, 2.30920029e-06, -1.02359508e-09, 1.58829629e-13,
      3400.05047, 0.205474719]
    - [2.49867369, 1.66635279e-03, -6.28251516e-07, 1.28346806e-10, -1.05735894e-14,
      3881.10716, 7.78218862]
  transport:
    model: gas
    geometry: linear
    diameter: 2.7500000000000004
    well-depth: 80.0
- name: HO2
  composition: {H: 1, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 700.0, 3500.0]
    data:
    - [3.61994299, 1.05805705e-03, 5.06678941e-06, -6.33800762e-09, 2.41597281e-12,
      315.898234, 6.44411482]
    - [3.02391889, 4.46390907e-03, -2.23146492e-06, 6.12710799e-10, -6.64266237e-14,
      399.341609, 9.10699973]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.458
    well-depth: 107.4
    rotational-relaxation: 1.0
- name: CO
  composition: {C: 1, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 960.0, 3500.0]
    data:
    - [3.75723891, -2.14465241e-03, 5.42079005e-06, -4.17025963e-09, 1.11901127e-12,
      -1.4357553e+04, 2.79976799]
    - [2.79255381, 1.87486886e-03, -8.59711926e-07, 1.9120007e-10, -1.67855286e-14,
      -1.41723335e+04, 7.4144356]
  transport:
    model: gas
    geometry: linear
    diameter: 3.65
    well-depth: 98.1
    polarizability: 1.9500000000000002
    rotational-relaxation: 1.8
- name: CO2
  composition: {C: 1, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1450.0, 3500.0]
    data:
    - [2.31684347, 9.22755036e-03, -7.75654093e-06, 3.2822536e-09, -5.48722482e-13,
      -4.83626067e+04, 10.0786234]
    - [4.70876468, 2.62914704e-03, -9.30606462e-07, 1.4389292e-10, -7.62581414e-15,
      -4.90562639e+04, -2.34976452]
  transport:
    model: gas
    geometry: linear
    diameter: 3.763
    well-depth: 244.0
    polarizability: 2.6500000000000004
    rotational-relaxation: 2.1
- name: CH4
  composition: {C: 1, H: 4}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 700.0, 3500.0]
    data:
    - [5.23967335, -0.0146835123, 5.29732711e-05, -5.41668822e-08, 1.96318566e-11,
      -1.02526308e+04, -4.97649748]
    - [0.505346405, 0.0123697845, -4.99807922e-06, 1.04392765e-09, -8.62897416e-14,
      -9589.82501, 16.1752775]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.7460000000000004
    well-depth: 141.4
    polarizability: 2.6
    rotational-relaxation: 13.0
- name: CH3
  composition: {C: 1, H: 3}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1060.0, 3500.0]
    data:
    - [3.4782931, 3.54764773e-03, 1.4740844e-06, -1.94375955e-09, 5.21921232e-13,
      1.64399516e+04, 2.40875956]
    - [2.78805104, 6.15233477e-03, -2.21179349e-06, 3.74402648e-10, -2.48151349e-14,
      1.65862829e+04, 5.77899818]
  transport:
    model: gas
    geometry: linear
    diameter: 3.8
    well-depth: 144.0
- name: CH2(S)
  composition: {C: 1, H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 970.0, 3500.0]
    data:
    - [4.18185434, -2.21134314e-03, 7.71527541e-06, -5.95950381e-09, 1.58314628e-12,
      5.03669407e+04, -0.703002602]
    - [2.75934299, 3.65468307e-03, -1.35589914e-06, 2.74980411e-10, -2.36795472e-14,
      5.06429079e+04, 6.11646383]
  transport:
    model: gas
    geometry: linear
    diameter: 3.8
    well-depth: 144.0
- name: C
  composition: {C: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 700.0, 3500.0]
    data:
    - [2.54495192, -2.47725281e-04, 5.48018277e-07, -5.4855125e-10, 2.04117331e-13,
      8.54434105e+04, 4.56874273]
    - [2.49472531, 3.92839476e-05, -6.7001498e-08, 3.71818694e-11, -5.07306885e-15,
      8.54504422e+04, 4.79314254]
  transport:
    model: gas
    geometry: atom
    diameter: 3.2980000000000005
    well-depth: 71.4
- name: CH
  composition: {C: 1, H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1590.0, 3500.0]
    data:
    - [3.77264332, -1.5854735e-03, 2.83512238e-06, -1.36146058e-09, 2.23995332e-13,
      7.06312492e+04, 0.879407904]
    - [2.27990128, 2.16985238e-03, -7.07637885e-07, 1.23973494e-10, -9.56348515e-15,
      7.11059412e+04, 8.77326061]
  transport:
    model: gas
    geometry: linear
    diameter: 2.7500000000000004
    well-depth: 80.0
- name: CH2O
  composition: {C: 1, H: 2, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 700.0, 3500.0]
    data:
    - [4.32621296, -7.01151853e-03, 3.15176961e-05, -3.36478638e-08, 1.23454023e-11,
      -1.43270169e+04, 2.62028902]
    - [1.33335652, 0.0100905183, -5.12952562e-06, 1.25425207e-09, -1.19639109e-13,
      -1.3908017e+04, 15.9916144]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.59
    well-depth: 498.0
    rotational-relaxation: 2.0
- name: HCO
  composition: {C: 1, H: 1, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 770.0, 3500.0]
    data:
    - [4.03483979, -2.15836864e-03, 1.18233875e-05, -1.18459406e-08, 4.00593954e-12,
      3836.36392, 4.2000877]
    - [2.60049318, 5.29278258e-03, -2.69184211e-06, 7.21357798e-10, -7.43521409e-14,
      4057.2533, 10.7450933]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.59
    well-depth: 498.0
- name: C2H6
  composition: {C: 2, H: 6}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [-0.241778724, 0.0253475709, -1.39645112e-05, 4.03257452e-09, -4.87754387e-13,
      -1.10391121e+04, 21.9572625]
    - [4.07959141, 0.0157445261, -5.96197393e-06, 1.06867182e-09, -7.6101234e-14,
      -1.25948053e+04, -1.43089412]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.35
    well-depth: 247.49999999999997
    rotational-relaxation: 1.5
- name: C2H5
  composition: {C: 2, H: 5}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [0.675421801, 0.0211542617, -1.20878017e-05, 3.6495118e-09, -4.59753237e-13,
      1.33457186e+04, 19.5628439]
    - [5.1979136, 0.01110428, -3.71281686e-06, 5.47665571e-10, -2.89412604e-14,
      1.17176215e+04, -4.91382513]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.35
    well-depth: 247.49999999999997
    rotational-relaxation: 1.5
- name: C2H4
  composition: {C: 2, H: 4}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1650.0, 3500.0]
    data:
    - [-0.060293245, 0.020813397, -1.34307867e-05, 4.60638301e-09, -6.51687481e-13,
      5511.51676, 21.0642172]
    - [4.60402718, 9.5059535e-03, -3.15129261e-06, 4.53052074e-10, -2.23949159e-14,
      3972.29102, -3.77420905]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.496
    well-depth: 238.4
    rotational-relaxation: 1.5
- name: C2H3
  composition: {C: 2, H: 3}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1450.0, 3500.0]
    data:
    - [1.23421214, 0.0156222204, -1.10171572e-05, 4.27989337e-09, -6.91541509e-13,
      3.46967692e+04, 16.8637048]
    - [4.18728376, 7.47581588e-03, -2.58984227e-06, 4.05265795e-10, -2.35022721e-14,
      3.38403785e+04, 1.51958751]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.7210000000000005
    well-depth: 265.3
    rotational-relaxation: 1.0
- name: C2H2
  composition: {C: 2, H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 790.0, 3500.0]
    data:
    - [0.770536907, 0.0237107998, -3.66622044e-05, 2.95989761e-08, -9.27579255e-12,
      2.64317975e+04, 14.0907683]
    - [4.37267454, 5.4721283e-03, -2.03181542e-06, 3.75019116e-10, -2.77049062e-14,
      2.58626597e+04, -2.43835921]
  transport:
    model: gas
    geometry: linear
    diameter: 3.7210000000000005
    well-depth: 265.3
    rotational-relaxation: 2.5
- name: C2H
  composition: {C: 2, H: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1710.0, 3500.0]
    data:
    - [4.60873599, 1.42766785e-03, 8.54158643e-07, -6.83903344e-10, 1.21940589e-13,
      6.68801772e+04, -1.05894068]
    - [3.41788257, 4.21328989e-03, -1.58936946e-06, 2.68739191e-10, -1.73346359e-14,
      6.72874491e+04, 5.32512367]
  transport:
    model: gas
    geometry: linear
    diameter: 3.7210000000000005
    well-depth: 265.3
    rotational-relaxation: 2.5
- name: CH2CHO
  composition: {C: 2, H: 3, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1340.0, 3500.0]
    data:
    - [0.737868281, 0.0250454357, -2.20135026e-05, 1.00031294e-08, -1.80836357e-12,
      376.389339, 20.9962837]
    - [6.47703792, 7.91358604e-03, -2.83605891e-06, 4.62112655e-10, -2.83231297e-14,
      -1161.70812, -8.37157286]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.97
    well-depth: 436.0
    rotational-relaxation: 2.0
- name: CH2CO
  composition: {C: 2, H: 2, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1360.0, 3500.0]
    data:
    - [2.49503978, 0.0158807592, -1.27171444e-05, 5.47226119e-09, -9.59140718e-13,
      -7188.9896, 11.8115657]
    - [5.69523628, 6.46841658e-03, -2.33588414e-06, 3.8340811e-10, -2.3689785e-14,
      -8059.44305, -4.61154403]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.97
    well-depth: 436.0
    rotational-relaxation: 2.0
- name: HCCO
  composition: {C: 2, H: 1, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1220.0, 3500.0]
    data:
    - [3.33028661, 0.0120351629, -1.14247949e-05, 5.70731267e-09, -1.13618105e-12,
      2.00087543e+04, 7.53650387]
    - [5.81420513, 3.89116779e-03, -1.41168608e-06, 2.35668533e-10, -1.49424971e-14,
      1.94026782e+04, -4.94089647]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 2.5
    well-depth: 150.0
    rotational-relaxation: 1.0
- name: C3H6
  composition: {C: 3, H: 6}
  thermo:
    model: NASA7
    temperature-ranges: [298.0, 1800.0, 3500.0]
    data:
    - [-0.0855987188, 0.0308112255, -1.84574096e-05, 5.68686491e-09, -7.13747674e-13,
      1925.67819, 24.0935687]
    - [6.31755201, 0.0165820017, -6.59972302e-06, 1.29512916e-09, -1.03784375e-13,
      -379.456071, -10.5616187]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.14
    well-depth: 307.8
    rotational-relaxation: 1.0
- name: C3H5-A
  composition: {C: 3, H: 5}
  thermo:
    model: NASA7
    temperature-ranges: [298.0, 1600.0, 3500.0]
    data:
    - [-0.357888096, 0.0327028536, -2.4005358e-05, 9.07345729e-09, -1.37016487e-12,
      2.00235695e+04, 24.2845603]
    - [8.53877792, 0.0104611885, -3.15379708e-06, 3.85306884e-10, -1.26413689e-14,
      1.71766363e+04, -22.8181758]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.22
    well-depth: 316.0
    rotational-relaxation: 1.0
- name: C3H4-A
  composition: {C: 3, H: 4}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1420.0, 3500.0]
    data:
    - [0.508248696, 0.0275573205, -2.13550933e-05, 8.81402419e-09, -1.47914981e-12,
      2.17582498e+04, 19.0382079]
    - [6.37608366, 0.0110282079, -3.89476312e-06, 6.16686076e-10, -3.59564768e-14,
      2.00917847e+04, -11.3283006]
  transport:
    model: gas
    geometry: linear
    diameter: 4.29
    well-depth: 324.8
    rotational-relaxation: 1.0
- name: C3H3
  composition: {C: 3, H: 3}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 840.0, 3500.0]
    data:
    - [1.75584147, 0.0295861278, -3.88094543e-05, 2.80498013e-08, -8.12163476e-12,
      4.07276565e+04, 13.5345464]
    - [5.75057762, 0.0105635747, -4.84060952e-06, 1.09040068e-09, -9.8003613e-14,
      4.00565408e+04, -5.04125059]
  transport:
    model: gas
    geometry: linear
    diameter: 4.29
    well-depth: 324.8
    rotational-relaxation: 1.0
- name: C3H2
  composition: {C: 3, H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1260.0, 3500.0]
    data:
    - [2.15397882, 0.0195955841, -1.84330427e-05, 8.94193413e-09, -1.72114805e-12,
      6.19349626e+04, 13.2451538]
    - [6.42043189, 6.05128866e-03, -2.30888141e-06, 4.10631875e-10, -2.84293474e-14,
      6.08598164e+04, -8.32404334]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.1
    well-depth: 209.0
    rotational-relaxation: 1.0
- name: PC4H9
  composition: {C: 4, H: 9}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 950.0, 3500.0]
    data:
    - [-0.276188385, 0.0494131381, -3.93792741e-05, 2.08221903e-08, -5.13033783e-12,
      6858.07273, 27.9243295]
    - [3.94763006, 0.0316286394, -1.12984867e-05, 1.1163745e-09, 5.54031605e-14,
      6055.54723, 7.76350061]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.24
    well-depth: 352.0
    rotational-relaxation: 1.0
- name: IC4H8
  composition: {C: 4, H: 8}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [0.717301599, 0.0401434653, -2.33509125e-05, 6.92571993e-09, -8.39035733e-13,
      -3723.72397, 20.1415164]
    - [7.63433967, 0.0247722696, -1.05415828e-05, 2.18152373e-09, -1.80119594e-13,
      -6213.85767, -17.2949366]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.089
    well-depth: 344.5
    dipole: 0.5000001426984807
    rotational-relaxation: 1.0
- name: C4H8-1
  composition: {C: 4, H: 8}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [-0.691489888, 0.044446009, -2.78211951e-05, 8.86613439e-09, -1.14115556e-12,
      -1596.68184, 28.8948525]
    - [10.3330449, 0.0199470428, -7.40538998e-06, 1.30472507e-09, -9.09598189e-14,
      -5565.51437, -30.7722296]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.65
    well-depth: 355.0
    rotational-relaxation: 1.0
- name: C4H71-3
  composition: {C: 4, H: 7}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1420.0, 3500.0]
    data:
    - [-1.12550124, 0.0464823652, -3.45124591e-05, 1.3738192e-08, -2.28751273e-12,
      1.46387978e+04, 30.5571711]
    - [8.33017754, 0.0198466503, -6.37614061e-06, 5.28652768e-10, 3.81103734e-14,
      1.1953385e+04, -18.3767119]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.720000000000001
    well-depth: 357.1
    rotational-relaxation: 1.0
- name: C4H6
  composition: {C: 4, H: 6}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1800.0, 3500.0]
    data:
    - [0.465225109, 0.0346661815, -2.14437338e-05, 6.84964885e-09, -8.89456944e-13,
      1.17919599e+04, 23.1239087]
    - [9.30872521, 0.0150139591, -5.06688177e-06, 7.84148097e-10, -4.70262839e-14,
      8608.29987, -24.7389586]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.720000000000001
    well-depth: 357.0
    rotational-relaxation: 1.0
- name: NC5H11
  composition: {C: 5, H: 11}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [-3.57520449, 0.0608933039, -3.60055276e-05, 1.07428812e-08, -1.3008857e-12,
      2051.7005, 47.9797395]
    - [6.93193785, 0.0375440987, -1.65478566e-05, 3.53633643e-09, -2.99976701e-13,
      -1730.87074, -8.88710671]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.640000000000001
    well-depth: 392.0
    rotational-relaxation: 1.0
- name: NC5H10
  composition: {C: 5, H: 10}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [-0.689551965, 0.0546638348, -3.33910611e-05, 1.03751453e-08, -1.30620882e-12,
      -5970.63504, 30.3853541]
    - [11.1929736, 0.0282582223, -1.13863841e-05, 2.22526491e-09, -1.74280993e-13,
      -1.02483443e+04, -33.9253533]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.200000000000001
    well-depth: 408.0
    rotational-relaxation: 1.0
- name: NC7H15
  composition: {C: 7, H: 15}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [-1.03213606, 0.080898377, -4.96873411e-05, 1.54242764e-08, -1.93065725e-12,
      -2242.54435, 38.1680706]
    - [15.8938298, 0.0432851195, -1.83429598e-05, 3.81524631e-09, -3.18291961e-13,
      -8335.89206, -53.4387877]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.31
    well-depth: 459.98
    rotational-relaxation: 1.0
- name: NC7H14
  composition: {C: 7, H: 14}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [-1.2279731, 0.0792825302, -4.98360912e-05, 1.58931983e-08, -2.04231877e-12,
      -1.17316124e+04, 36.2789089]
    - [18.2668105, 0.0359607889, -1.37346402e-05, 2.52229049e-09, -1.8524824e-13,
      -1.87497345e+04, -69.2309266]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 6.31
    well-depth: 459.98
    rotational-relaxation: 1.0
- name: CH3C6H4
  composition: {C: 7, H: 7}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1730.0, 3500.0]
    data:
    - [-2.82564598, 0.0643048832, -4.59504033e-05, 1.64428613e-08, -2.32566631e-12,
      3.58010154e+04, 39.4808224]
    - [18.3842182, 0.0152647348, -3.43004339e-06, 5.7366165e-11, 4.21798063e-14,
      2.84624024e+04, -74.4700925]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.68
    well-depth: 495.30000000000007
    rotational-relaxation: 1.0
- name: MCYC6
  composition: {C: 7, H: 14}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [-10.1006358, 0.10321827, -6.84441744e-05, 2.23157154e-08, -2.88158149e-12,
      -1.95313967e+04, 71.0947481]
    - [16.7194568, 0.0436180644, -1.87773363e-05, 3.92059022e-09, -3.26702984e-13,
      -2.918663e+04, -74.0611877]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.68
    well-depth: 495.30000000000007
    dipole: 0.4300001227206934
    polarizability: 12.300000000000002
    rotational-relaxation: 1.0
- name: NC12H25
  composition: {C: 12, H: 25}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [-2.06085145, 0.141179787, -8.91506513e-05, 2.83740186e-08, -3.62710594e-12,
      -1.66984825e+04, 51.116166]
    - [31.7005579, 0.0661544325, -2.6629523e-05, 5.2180451e-09, -4.10998519e-13,
      -2.88525898e+04, -131.607624]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 7.6
    well-depth: 580.0
    rotational-relaxation: 1.0
- name: NC12H26
  composition: {C: 12, H: 26}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1800.0, 3500.0]
    data:
    - [-2.66627705, 0.147343892, -9.43301934e-05, 3.05488933e-08, -3.97016449e-12,
      -4.00651514e+04, 53.203335]
    - [36.1414094, 0.0611045883, -2.24641073e-05, 3.93182441e-09, -2.73349363e-13,
      -5.40359186e+04, -156.83196]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 7.6
    well-depth: 580.0
    rotational-relaxation: 1.0
- name: C6H4O2
  composition: {C: 6, H: 4, O: 2}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1410.0, 3500.0]
    data:
    - [-5.23446579, 0.077377089, -7.06201498e-05, 3.20580235e-08, -5.66410368e-12,
      -1.58009124e+04, 52.5540058]
    - [17.4929578, 0.0129021286, -2.0297664e-06, -3.72417853e-10, 8.59745736e-14,
      -2.22100459e+04, -64.9015838]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.500000000000001
    well-depth: 450.0
    rotational-relaxation: 1.0
- name: XYLENE
  composition: {C: 8, H: 10}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1800.0, 3500.0]
    data:
    - [-3.92128796, 0.0769196357, -5.10898211e-05, 1.71261893e-08, -2.29068282e-12,
      315.918887, 43.9545364]
    - [20.0142025, 0.023729657, -6.76483884e-06, 7.09529215e-10, -1.05911395e-14,
      -8300.85767, -85.5893311]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.96
    well-depth: 523.6
    rotational-relaxation: 1.0
- name: RXYLENE
  composition: {C: 8, H: 9}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 1620.0, 3500.0]
    data:
    - [-3.85447699, 0.0815484138, -6.1287436e-05, 2.33011616e-08, -3.51034102e-12,
      1.98514059e+04, 42.0634392]
    - [20.4972497, 0.0214206934, -5.61362086e-06, 3.90126528e-10, 2.53125355e-14,
      1.19614465e+04, -87.1674754]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.96
    well-depth: 523.6
    rotational-relaxation: 1.0
- name: C6H2
  composition: {C: 6, H: 2}
  thermo:
    model: NASA7
    temperature-ranges: [200.0, 700.0, 3500.0]
    data:
    - [-0.539476453, 0.0743280545, -1.35797807e-04, 1.24163557e-07, -4.38724145e-11,
      8.21161647e+04, 21.8805021]
    - [9.95239961, 0.014374477, -7.32585546e-06, 1.80931772e-09, -1.74471745e-13,
      8.0647302e+04, -24.9945457]
  transport:
    model: gas
    geometry: linear
    diameter: 5.200000000000001
    well-depth: 408.0
    rotational-relaxation: 1.0
- name: C6H3
  composition: {C: 6, H: 3}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1320.0, 3500.0]
    data:
    - [4.46601449, 0.0341999583, -2.98587533e-05, 1.36473739e-08, -2.49684195e-12,
      8.45957836e+04, 5.04018538]
    - [11.9194523, 0.0116137832, -4.19264521e-06, 6.84693068e-10, -4.17887563e-14,
      8.2628076e+04, -32.9876543]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.18
    well-depth: 357.0
    rotational-relaxation: 1.0
- name: C6H4
  composition: {C: 6, H: 4}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1360.0, 3500.0]
    data:
    - [-1.1730561, 0.0609713718, -6.13761529e-05, 2.96855443e-08, -5.44506792e-12,
      6.00209374e+04, 29.6241244]
    - [17.4447675, 6.21306704e-03, -9.80963831e-07, 8.00594547e-11, -2.88320672e-15,
      5.49568894e+04, -65.9208083]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 5.349000000000001
    well-depth: 412.3
    rotational-relaxation: 1.0
- name: C3H7(L1)
  composition: {C: 3, H: 7}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [-0.4937725889, 0.03352316879, -1.989736752e-05, 6.269235462e-09,
      -8.250948669e-13, 9976.764116, 29.08490891]
    - [5.763173526, 0.01861356867, -6.708828805e-06, 1.114129124e-09, -7.123678023e-14,
      7907.471853, -4.300331563]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 4.81
    well-depth: 303.4
    rotational-relaxation: 1.0
- name: CH3O(L1)
  composition: {C: 1, H: 3, O: 1}
  thermo:
    model: NASA7
    temperature-ranges: [300.0, 1000.0, 5000.0]
    data:
    - [0.8896612744, 0.01701197609, -1.1380735e-05, 3.882809427e-09, -5.328415337e-13,
      1603.160237, 18.50011542]
    - [5.342719765, 6.431163184e-03, -2.067240625e-06, 2.694923309e-10,
      -9.942846058e-15, 128.4807195, -5.269058374]
  transport:
    model: gas
    geometry: nonlinear
    diameter: 3.6900000000000004
    well-depth: 417.0
    dipole: 1.7000004851748343
    rotational-relaxation: 2.0

reactions:
- equation: 'NC12H26 + 18.5 O2 => 12.0 CO2 + 13.0 H2O '  # Reaction 1
  rate-constant: {A: 0.0, b: 0.0, Ea: 0.0}
