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Z153 mechanism, multicomponent fuel mixture
Fuel molecules: IC8H18, NC10H22, NC12H26, IC12H26, DECALIN, TMBENZ, C10H7CH3

Use all seven fuel components or any
combination of the seven.

Develped by N. Zetttervall at FOI, Sweden
2024-05-06

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

phases:
– name: gas
thermo: ideal-gas
elements: [H, O, C, N]
species: [NC12H26, NC12H25, NC12H25O2, NC12H24OOH, NC12H24, NC12ket, NOOC12H24OOH,
C5H11CO, IC12H26, IC12H25, IC12H25O2, IC12H24OOH, IC12H24, IC12ket,
IOOC12H24OOH, NC10H22, C10H21, C10H21O2, C10H20OOH, C10H20, C10ket,
OOC10H20OOH, IC8H18, C8H17, C8H17O2, C8H16OOH, C8H16, C8ket, OOC8H16OOH,
C10H7CH3, C10H7, C5H4, C4H4, C4H3, C4H2, TMBENZ, O-XYLCH2, O-XYLCH2OO,
O-CH2TOLCH2OOH, O2CH2TOLCH2OOH, TMBKET, DECALIN, RDECALIN, RDECOO, QDECOOH,
ZDECA, KHDECA, C10H16, C2H5, C2H4, C2H3, C2H2, C2H, CH2, CH, CH4, CH3,
CH3O, CH2O, HCO, CO, CO2, O2, N2, H2O, H, O, OH, H2, HO2, H2O2]
kinetics: gas
reactions: all
transport: mixture-averaged
state:
T: 300.0
P: 1.01325e+05

species:
– name: IC8H18
composition: {C: 8, H: 18}
thermo:
model: NASA7
temperature-ranges: [300.0, 1390.0, 3500.0]
data:
– [-5.96912082, 0.12087217, -9.61538218e-05, 4.1348929e-08, -7.18982937e-12,
-3.02675122e+04, 52.7954202]
– [20.6155885, 0.0443694094, -1.35968858e-05, 1.75327621e-09, -6.83090867e-14,
-3.76580614e+04, -84.2148794]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.17
well-depth: 494.0
rotational-relaxation: 1.0
– name: C8H17
composition: {C: 8, H: 17}
thermo:
model: NASA7
temperature-ranges: [300.0, 1530.0, 3500.0]
data:
– [-3.32961207, 0.108192845, -8.23053436e-05, 3.33403496e-08, -5.36943681e-12,
-8906.25182, 41.669727]
– [26.510423, 0.0301796816, -5.82184988e-06, 1.42085775e-11, 7.60110768e-14,
-1.80373025e+04, -114.981197]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.17
well-depth: 494.0
rotational-relaxation: 1.0
– name: C8H16
composition: {C: 8, H: 16}
thermo:
model: NASA7
temperature-ranges: [300.0, 1400.0, 3500.0]
data:
– [-5.35586582, 0.110622059, -8.6952173e-05, 3.69705048e-08, -6.36990286e-12,
-1.56875145e+04, 51.1323812]
– [18.8616063, 0.0414292819, -1.28170543e-05, 1.66806735e-09, -6.58961701e-14,
-2.24684067e+04, -73.8514297]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.17
well-depth: 494.0
rotational-relaxation: 1.0
– name: C8H17O2
composition: {C: 8, H: 17, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1600.0, 3500.0]
data:
– [-0.710506923, 0.110651259, -7.84323095e-05, 2.83662136e-08, -4.13091825e-12,
-2.71499187e+04, 39.7240936]
– [24.3863221, 0.0479091863, -1.96116165e-05, 3.85759153e-09, -3.01446048e-13,
-3.5180904e+04, -93.1491997]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.17
well-depth: 594.0
rotational-relaxation: 1.0
– name: C8H16OOH
composition: {C: 8, H: 17, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1560.0, 3500.0]
data:
– [-0.992411233, 0.115564272, -8.55006187e-05, 3.21444828e-08, -4.8420719e-12,
-2.07364398e+04, 41.350418]
– [25.9202581, 0.0465574276, -1.91478836e-05, 3.78861311e-09, -2.97862013e-13,
-2.91331926e+04, -100.455337]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.17
well-depth: 594.0
rotational-relaxation: 1.0
– name: OOC8H16OOH
composition: {C: 8, H: 17, O: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1710.0, 3500.0]
data:
– [1.76391327, 0.117165508, -8.22495001e-05, 2.88756269e-08, -4.02536985e-12,
-3.88136498e+04, 31.9375985]
– [34.8314225, 0.0398146097, -1.43978345e-05, 2.42273588e-09, -1.57988116e-13,
-5.0122738e+04, -145.334518]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.17
well-depth: 594.0
rotational-relaxation: 1.0
– name: C8ket
composition: {C: 8, H: 16, O: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1770.0, 3500.0]
data:
– [0.55514898, 0.108861959, -7.47017874e-05, 2.54874628e-08, -3.44492892e-12,
-5.72310011e+04, 35.9135548]
– [33.3140926, 0.0348304479, -1.19632189e-05, 1.85711682e-09, -1.07309433e-13,
-6.88276671e+04, -140.834098]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.17
well-depth: 594.0
rotational-relaxation: 1.0
– name: C10H7CH3
composition: {C: 11, H: 10}
thermo:
model: NASA7
temperature-ranges: [200.0, 1700.0, 3500.0]
data:
– [-7.17710534, 0.111036086, -8.41733896e-05, 3.13190543e-08, -4.5553061e-12,
1.1788731e+04, 57.0191587]
– [31.9556671, 0.0189589747, -2.9288793e-06, -5.41537998e-10, 1.30075116e-13,
-1516.41167, -152.538802]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.35
well-depth: 660.0
rotational-relaxation: 1.0
– name: C10H7
composition: {C: 10, H: 7}
thermo:
model: NASA7
temperature-ranges: [200.0, 1490.0, 3500.0]
data:
– [-6.45168838, 0.0970877508, -8.18046543e-05, 3.4288711e-08, -5.635111e-12,
4.58966205e+04, 53.4576808]
– [21.2397127, 0.022748419, -6.96640086e-06, 8.04033892e-10, -1.68765826e-14,
3.7644583e+04, -91.1799918]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.18
well-depth: 630.4
polarizability: 16.5
rotational-relaxation: 1.0
– name: C5H4
composition: {C: 5, H: 4}
thermo:
model: NASA7
temperature-ranges: [200.0, 1310.0, 3500.0]
data:
– [-1.67820643, 0.0425528463, -3.59188817e-05, 1.59603181e-08, -2.88254699e-12,
6.22946562e+04, 30.8507212]
– [6.52292971, 0.0175112092, -7.2452515e-06, 1.36813992e-09, -9.77801509e-14,
6.01459585e+04, -10.9295493]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 5.18
well-depth: 357.0
rotational-relaxation: 1.0
– name: C4H4
composition: {C: 4, H: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1290.0, 3500.0]
data:
– [0.713119716, 0.0341836288, -2.96617954e-05, 1.37214268e-08, -2.5585555e-12,
3.31283217e+04, 20.3030643]
– [7.65777119, 0.0126498258, -4.6224895e-06, 7.81217082e-10, -5.07629107e-14,
3.13366016e+04, -14.9692661]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 5.18
well-depth: 357.0
rotational-relaxation: 1.0
– name: C4H3
composition: {C: 4, H: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1590.0, 3500.0]
data:
– [2.34662666, 0.0283894138, -2.35278181e-05, 9.69177543e-09, -1.55205057e-12,
6.3575593e+04, 13.868056]
– [13.0208969, 1.53590364e-03, 1.805682e-06, -9.30237204e-10, 1.18077198e-13,
6.01811751e+04, -42.57915]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 5.18
well-depth: 357.0
rotational-relaxation: 1.0
– name: C4H2
composition: {C: 4, H: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 720.0, 3500.0]
data:
– [-0.434754087, 0.0521020832, -9.24512179e-05, 8.22627589e-08, -2.82722759e-11,
5.38477042e+04, 20.3848077]
– [7.13414735, 0.0100526308, -4.84819206e-06, 1.14884604e-09, -1.07722834e-13,
5.27577824e+04, -13.6443516]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 4.72
well-depth: 357.0
rotational-relaxation: 1.0
– name: IC12H26
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]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.6
well-depth: 580.0
rotational-relaxation: 1.0
– name: IC12H25
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]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.6
well-depth: 580.0
rotational-relaxation: 1.0
– name: IC12H24OOH
composition: {C: 12, H: 25, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1800.0, 3500.0]
data:
– [0.527389361, 0.149210016, -9.74843011e-05, 3.21038575e-08, -4.22337617e-12,
-3.01517645e+04, 44.5950809]
– [42.8763735, 0.0551011625, -1.90602563e-05, 3.05791504e-09, -1.89217484e-13,
-4.53973988e+04, -184.606456]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.6
well-depth: 680.0
rotational-relaxation: 1.0
– name: IC12H25O2
composition: {C: 12, H: 25, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1800.0, 3500.0]
data:
– [1.39669302, 0.144257322, -9.12725124e-05, 2.9286254e-08, -3.78569287e-12,
-3.53939626e+04, 38.7492139]
– [38.2754174, 0.0623046009, -2.29785783e-05, 3.99220438e-09, -2.72630412e-13,
-4.86703034e+04, -160.846136]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.6
well-depth: 680.0
rotational-relaxation: 1.0
– name: IOOC12H24OOH
composition: {C: 12, H: 25, O: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1800.0, 3500.0]
data:
– [2.75932352, 0.156509843, -1.0267072e-04, 3.37662211e-08, -4.43110898e-12,
-4.86621157e+04, 35.5767286]
– [46.8889668, 0.0584439691, -2.09491581e-05, 3.4989761e-09, -2.27324947e-13,
-6.45487872e+04, -203.262107]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.6
well-depth: 680.0
rotational-relaxation: 1.0
– name: IC12ket
composition: {C: 12, H: 24, O: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1800.0, 3500.0]
data:
– [4.95723377, 0.138569107, -8.7701871e-05, 2.67924404e-08, -3.24092235e-12,
-6.80315984e+04, 22.8446447]
– [28.976254, 0.085193506, -4.3222204e-05, 1.03184896e-08, -9.52873635e-13,
-7.66784457e+04, -107.151303]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.6
well-depth: 680.0
rotational-relaxation: 1.0
– name: DECALIN
composition: {C: 10, H: 18}
thermo:
model: NASA7
temperature-ranges: [300.0, 1750.0, 3500.0]
data:
– [-14.5870783, 0.141956207, -9.78878828e-05, 3.36726212e-08, -4.59507321e-12,
-2.33632912e+04, 88.7980358]
– [27.0110296, 0.0468748171, -1.6389549e-05, 2.62563687e-09, -1.59789734e-13,
-3.79226289e+04, -135.167747]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.18
well-depth: 630.4
polarizability: 16.5
rotational-relaxation: 1.0
– name: RDECALIN
composition: {C: 10, H: 17}
thermo:
model: NASA7
temperature-ranges: [300.0, 1800.0, 3500.0]
data:
– [-13.9601308, 0.135630337, -9.23471594e-05, 3.11806495e-08, -4.16003241e-12,
5.4727806, 90.4971362]
– [28.5620333, 0.0411366392, -1.3602411e-05, 2.01592783e-09, -1.09376626e-13,
-1.53025063e+04, -139.641687]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.18
well-depth: 630.4
polarizability: 16.5
rotational-relaxation: 1.0
– name: RDECOO
composition: {C: 10, H: 17, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1800.0, 3500.0]
data:
– [-6.00367537, 0.0893458584, -5.96731181e-05, 1.94862876e-08, -2.51427606e-12,
-1.08357738e+04, 55.6207021]
– [17.2379174, 0.0376978745, -1.66331315e-05, 3.54555182e-09, -3.00284988e-13,
-1.92027471e+04, -70.1676462]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.18
well-depth: 630.4
polarizability: 16.5
rotational-relaxation: 1.0
– name: QDECOOH
composition: {C: 10, H: 17, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1800.0, 3500.0]
data:
– [-6.00367537, 0.0893458584, -5.96731181e-05, 1.94862876e-08, -2.51427606e-12,
-1.08357738e+04, 55.6207021]
– [17.2379174, 0.0376978745, -1.66331315e-05, 3.54555182e-09, -3.00284988e-13,
-1.92027471e+04, -70.1676462]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.18
well-depth: 630.4
polarizability: 16.5
rotational-relaxation: 1.0
– name: ZDECA
composition: {C: 10, H: 17, O: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1800.0, 3500.0]
data:
– [-6.00367537, 0.0893458584, -5.96731181e-05, 1.94862876e-08, -2.51427606e-12,
-1.08357738e+04, 55.6207021]
– [17.2379174, 0.0376978745, -1.66331315e-05, 3.54555182e-09, -3.00284988e-13,
-1.92027471e+04, -70.1676462]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.18
well-depth: 630.4
polarizability: 16.5
rotational-relaxation: 1.0
– name: KHDECA
composition: {C: 10, H: 16, O: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1460.0, 3500.0]
data:
– [-8.02402159, 0.0895009509, -6.86853397e-05, 2.77298319e-08, -4.5089379e-12,
-3.06512867e+04, 52.2593733]
– [11.6022418, 0.0357303662, -1.34415882e-05, 2.50437459e-09, -1.89510289e-13,
-3.63821557e+04, -49.8532958]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.18
well-depth: 630.4
polarizability: 16.5
rotational-relaxation: 1.0
– name: C10H16
composition: {C: 10, H: 16}
thermo:
model: NASA7
temperature-ranges: [300.0, 1800.0, 3500.0]
data:
– [-16.4117649, 0.144126435, -1.00567886e-04, 3.40982872e-08, -4.53395293e-12,
-9912.83823, 100.405171]
– [28.9286921, 0.0433698641, -1.66040771e-05, 3.00058011e-09, -2.14826944e-13,
-2.62354027e+04, -144.98684]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.18
well-depth: 630.4
polarizability: 16.5
rotational-relaxation: 1.0
– name: NC12H26
composition: {C: 12, H: 26}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [21.326448, -0.0386394002, 3.99476113e-04, -5.06681097e-07, 2.00697878e-10,
-4.22475053e+04, -48.58483]
– [37.0187925, 0.0554721488, -1.92079548e-05, 3.08175574e-09, -1.84800617e-13,
-5.26984458e+04, -161.453501]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.6
well-depth: 580.0
rotational-relaxation: 1.0
note: T5/99
– name: NC10H22
composition: {H: 22, C: 10}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [15.4328173, -0.0132979232, 2.82480581e-04, -3.65923298e-07, 1.45372117e-10,
-3.58632831e+04, -27.9454341]
– [29.4782956, 0.0490518943, -1.70317179e-05, 2.729193e-09, -1.63370772e-13,
-4.43022624e+04, -124.062121]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.15
well-depth: 540.98
rotational-relaxation: 1.0
note: DECANET5/99
– name: C10H21
composition: {C: 10, H: 21}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [14.8510661, -3.85330874e-03, 2.43710502e-04, -3.17547576e-07, 1.25908377e-10,
-1.27861722e+04, -23.5344919]
– [23.3759939, 0.0575362038, -2.1096802e-05, 3.46309821e-09, -2.0943403e-13,
-1.87658614e+04, -86.8825727]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.15
well-depth: 540.98
rotational-relaxation: 1.0
note: n-decylP10/83
– name: C10H20
composition: {C: 10, H: 20}
thermo:
model: NASA7
temperature-ranges: [298.15, 1000.0, 5000.0]
data:
– [2.73154321, 0.0788862849, 2.51641756e-05, -8.52509662e-08, 3.92427894e-11,
-2.06898473e+04, 25.7333929]
– [23.901398, 0.0538878964, -2.01285612e-05, 3.52665091e-09, -2.34996859e-13,
-2.85617759e+04, -92.5811186]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.15
well-depth: 540.98
rotational-relaxation: 1.0
note: 3-decene-T3/00
– name: O
composition: {O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.1682671, -3.27931884e-03, 6.64306396e-06, -6.12806624e-09, 2.11265971e-12,
2.91222592e+04, 2.05193346]
– [2.54363697, -2.73162486e-05, -4.1902952e-09, 4.95481845e-12, -4.79553694e-16,
2.9226012e+04, 4.92229457]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: atom
diameter: 2.75
well-depth: 80.0
note: L1/90
– 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]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: atom
diameter: 2.05
well-depth: 145.0
note: L6/94
– name: OH
composition: {H: 1, O: 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]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 2.75
well-depth: 80.0
note: HYDROXYLRADIIU3/03
– name: H2
composition: {H: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12,
-917.935173, 0.683010238]
– [2.93286575, 8.26608026e-04, -1.46402364e-07, 1.54100414e-11, -6.888048e-16,
-813.065581, -1.02432865]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 2.92
well-depth: 38.0
polarizability: 0.79
rotational-relaxation: 280.0
note: REFELEMENTtpis78
– name: H2O
composition: {H: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.1986352, -2.0364017e-03, 6.5203416e-06, -5.4879269e-09, 1.771968e-12,
-3.0293726e+04, -0.84900901]
– [2.6770389, 2.9731816e-03, -7.7376889e-07, 9.4433514e-11, -4.2689991e-15,
-2.9885894e+04, 6.88255]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 2.605
well-depth: 572.4
dipole: 1.844
rotational-relaxation: 4.0
note: L5/89
– name: HO2
composition: {H: 1, O: 2}
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]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 3.458
well-depth: 107.4
rotational-relaxation: 1.0
note: T1/09
– name: H2O2
composition: {H: 2, O: 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]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 3.458
well-depth: 107.4
rotational-relaxation: 3.8
note: T8/03
– name: N2
composition: {N: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.53100528, -1.23660988e-04, -5.02999433e-07, 2.43530612e-09, -1.40881235e-12,
-1046.97628, 2.96747038]
– [2.95257637, 1.3969004e-03, -4.92631603e-07, 7.86010195e-11, -4.60755204e-15,
-923.948688, 5.87188762]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 3.621
well-depth: 97.53
polarizability: 1.76
rotational-relaxation: 4.0
note: REFELEMENTG8/02
– name: O2
composition: {O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12,
-1063.94356, 3.65767573]
– [3.66096065, 6.56365811e-04, -1.41149627e-07, 2.05797935e-11, -1.29913436e-15,
-1215.97718, 3.41536279]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 3.458
well-depth: 107.4
polarizability: 1.6
rotational-relaxation: 3.8
note: REFELEMENTRUS89
– name: CH4
composition: {H: 4, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [5.14825732, -0.013700241, 4.93749414e-05, -4.91952339e-08, 1.70097299e-11,
-1.02453222e+04, -4.63322726]
– [1.911786, 9.6026796e-03, -3.38387841e-06, 5.3879724e-10, -3.19306807e-14,
-1.00992136e+04, 8.48241861]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 3.746
well-depth: 141.4
polarizability: 2.6
rotational-relaxation: 13.0
note: RRHOg8/99
– name: CH3
composition: {H: 3, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.6571797, 2.1265979e-03, 5.4583883e-06, -6.6181003e-09, 2.4657074e-12,
1.6422716e+04, 1.6735354]
– [2.9781206, 5.797852e-03, -1.97558e-06, 3.072979e-10, -1.7917416e-14,
1.6509513e+04, 4.7224799]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: IU0702
– name: CH2
composition: {H: 2, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.19331325, -2.33105184e-03, 8.15676451e-06, -6.62985981e-09, 1.93233199e-12,
5.03662246e+04, -0.74673431]
– [3.13501686, 2.89593926e-03, -8.1666809e-07, 1.13572697e-10, -6.36262835e-15,
5.05040504e+04, 4.06030621]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: SINGLETIU3/03
– name: CH
composition: {H: 1, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.4897583, 3.243216e-04, -1.6899751e-06, 3.162842e-09, -1.4061803e-12,
7.0660755e+04, 2.0842841]
– [2.5209369, 1.7653639e-03, -4.614766e-07, 5.9289675e-11, -3.3474501e-15,
7.0994878e+04, 7.4051829]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 2.75
well-depth: 80.0
note: IU3/03
– name: CH3O
composition: {H: 3, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.71180502, -2.80463306e-03, 3.76550971e-05, -4.73072089e-08, 1.8658842e-11,
1307.72484, 6.57240864]
– [4.75779238, 7.44142474e-03, -2.69705176e-06, 4.38090504e-10, -2.63537098e-14,
390.139164, -1.96680028]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 3.69
well-depth: 417.0
dipole: 1.7
rotational-relaxation: 2.0
note: METHOXYRADIU1/03
– name: CH2O
composition: {H: 2, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.79372312, -9.90833322e-03, 3.7321999e-05, -3.79285237e-08, 1.31772641e-11,
-1.43227879e+04, 0.602798058]
– [3.16952665, 6.1932056e-03, -2.25056366e-06, 3.6597566e-10, -2.20149458e-14,
-1.44922756e+04, 6.04207898]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 3.59
well-depth: 498.0
rotational-relaxation: 2.0
note: Formaldehydeg8/88
– name: HCO
composition: {H: 1, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.2375461, -3.32075257e-03, 1.40030264e-05, -1.34239995e-08, 4.37416208e-12,
3872.41185, 3.30834869]
– [3.92001542, 2.52279324e-03, -6.71004164e-07, 1.05615948e-10, -7.43798261e-15,
3653.42928, 3.58077056]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 3.59
well-depth: 498.0
note: T5/03
– name: CO
composition: {C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.5795335, -6.1035369e-04, 1.0168143e-06, 9.0700586e-10, -9.0442449e-13,
-1.4344086e+04, 3.5084093]
– [3.0484859, 1.3517281e-03, -4.8579405e-07, 7.8853644e-11, -4.6980746e-15,
-1.4266117e+04, 6.0170977]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 3.65
well-depth: 98.1
polarizability: 1.95
rotational-relaxation: 1.8
note: RUS79
– name: CO2
composition: {C: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [2.356813, 8.9841299e-03, -7.1220632e-06, 2.4573008e-09, -1.4288548e-13,
-4.8371971e+04, 9.9009035]
– [4.6365111, 2.7414569e-03, -9.9589759e-07, 1.6038666e-10, -9.1619857e-15,
-4.9024904e+04, -1.9348955]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 3.763
well-depth: 244.0
polarizability: 2.65
rotational-relaxation: 2.1
note: L7/88
– name: C2H
composition: {H: 1, C: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [2.89867676, 0.0132988489, -2.80733327e-05, 2.89484755e-08, -1.07502351e-11,
6.7061605e+04, 6.18547632]
– [3.66270248, 3.82492252e-03, -1.366325e-06, 2.1345504e-10, -1.23216848e-14,
6.7168379e+04, 3.92205792]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 4.1
well-depth: 209.0
rotational-relaxation: 2.5
note: T5/10
– name: C2H2
composition: {H: 2, C: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [0.808679682, 0.0233615762, -3.55172234e-05, 2.80152958e-08, -8.50075165e-12,
2.64289808e+04, 13.9396761]
– [4.65878489, 4.88396667e-03, -1.60828888e-06, 2.46974544e-10, -1.38605959e-14,
2.57594042e+04, -3.99838194]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: linear
diameter: 4.1
well-depth: 209.0
rotational-relaxation: 2.5
note: acetyleneg1/91
– name: C2H3
composition: {H: 3, C: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.36377642, 2.65765722e-04, 2.79620704e-05, -3.72986942e-08, 1.51590176e-11,
3.44749589e+04, 7.91510092]
– [4.15026763, 7.54021341e-03, -2.62997847e-06, 4.15974048e-10, -2.45407509e-14,
3.3856638e+04, 1.72812235]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 4.1
well-depth: 209.0
rotational-relaxation: 1.0
note: VinylRadiATcT/A
– name: C2H4
composition: {H: 4, C: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.95920063, -7.57051373e-03, 5.70989993e-05, -6.91588352e-08, 2.6988419e-11,
5089.77598, 4.09730213]
– [3.99182724, 0.0104833908, -3.71721342e-06, 5.94628366e-10, -3.53630386e-14,
4268.65851, -0.269081762]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 3.971
well-depth: 280.8
rotational-relaxation: 1.5
note: g1/00
– name: C2H5
composition: {H: 5, C: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.24185905, -3.56905235e-03, 4.82667202e-05, -5.85401009e-08, 2.25804514e-11,
1.29690344e+04, 4.44703782]
– [4.32195633, 0.0123930542, -4.3968096e-06, 7.03519917e-10, -4.18435239e-14,
1.21759475e+04, 0.171103809]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 4.302
well-depth: 252.3
rotational-relaxation: 1.5
note: ethylradicIU1/07
– name: C10H21O2
composition: {H: 21, C: 10, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1389.0, 5000.0]
data:
– [1.01431524, 0.124157438, -8.21448954e-05, 2.85684148e-08, -4.17000221e-12,
-3.08616979e+04, 34.8377002]
– [35.2386548, 0.0475793514, -1.63731335e-05, 2.55214038e-09, -1.48474197e-13,
-4.32282603e+04, -150.404303]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.69
well-depth: 704.92
polarizability: 19.1
rotational-relaxation: 1.0
note: 6/26/7THERM
– name: C10H20OOH
composition: {H: 21, C: 10, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1388.0, 5000.0]
data:
– [0.96189453, 0.124898703, -8.11308378e-05, 2.63555947e-08, -3.38606023e-12,
-2.43666092e+04, 37.7015795]
– [36.8332677, 0.0453428413, -1.54184908e-05, 2.38498991e-09, -1.38036821e-13,
-3.7199081e+04, -156.373019]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.69
well-depth: 704.92
polarizability: 19.1
rotational-relaxation: 1.0
note: 6/26/7THERM
– name: OOC10H20OOH
composition: {H: 21, C: 10, O: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1388.0, 5000.0]
data:
– [2.65145491, 0.134665017, -8.94738939e-05, 2.96279281e-08, -3.90540332e-12,
-4.41599446e+04, 31.1630265]
– [42.6897857, 0.0459447184, -1.59146224e-05, 2.4920554e-09, -1.45456593e-13,
-5.85330678e+04, -185.554231]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.69
well-depth: 704.92
polarizability: 19.1
rotational-relaxation: 1.0
note: 7/6/7THERM
– name: C10ket
composition: {H: 20, C: 10, O: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1395.0, 5000.0]
data:
– [-0.234342212, 0.138766838, -1.04003274e-04, 4.11720893e-08, -6.75354155e-12,
-6.02546784e+04, 41.4912366]
– [38.8320323, 0.0446264561, -1.53792779e-05, 2.39980861e-09, -1.39724887e-13,
-7.36287238e+04, -167.457676]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.69
well-depth: 704.92
polarizability: 19.1
rotational-relaxation: 1.0
note: 6/28/7
– name: C5H11CO
composition: {H: 11, C: 6, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
– [2.14479069, 0.0617863563, -3.7413469e-05, 1.13283795e-08, -1.36917698e-12,
-1.43451172e+04, 22.3128045]
– [19.4783812, 0.0250466029, -8.54861346e-06, 1.32557944e-09, -7.68503296e-14,
-2.07923937e+04, -72.1995578]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 6.009
well-depth: 498.6
dipole: 2.0
rotational-relaxation: 1.0
note: 2/29/96
– name: NC12H25
composition: {H: 25, C: 12}
thermo:
model: NASA7
temperature-ranges: [300.0, 1385.0, 5000.0]
data:
– [-1.36787089, 0.137355348, -8.24076158e-05, 2.36421562e-08, -2.47435932e-12,
-1.67660539e+04, 48.3521895]
– [37.9688268, 0.0538719464, -1.82171263e-05, 2.80774503e-09, -1.6210842e-13,
-3.12144988e+04, -165.805933]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.047
well-depth: 789.98
rotational-relaxation: 1.0
note: 1/2/7THERM
– name: NC12H24
composition: {H: 24, C: 12}
thermo:
model: NASA7
temperature-ranges: [300.0, 1391.0, 5000.0]
data:
– [-2.96342681, 0.14399236, -9.61384015e-05, 3.30174473e-08, -4.6239819e-12,
-2.46345299e+04, 52.915887]
– [37.4002111, 0.0526230753, -1.78624319e-05, 2.75949863e-09, -1.59562499e-13,
-3.89405962e+04, -164.892663]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.09
well-depth: 775.294
rotational-relaxation: 1.0
note: 1/22/7THERM
– name: IC12H24
composition: {H: 24, C: 12}
thermo:
model: NASA7
temperature-ranges: [300.0, 1391.0, 5000.0]
data:
– [-2.96342681, 0.14399236, -9.61384015e-05, 3.30174473e-08, -4.6239819e-12,
-2.46345299e+04, 52.915887]
– [37.4002111, 0.0526230753, -1.78624319e-05, 2.75949863e-09, -1.59562499e-13,
-3.89405962e+04, -164.892663]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.09
well-depth: 775.294
rotational-relaxation: 1.0
note: 1/22/7THERM
– name: NC12H25O2
composition: {H: 25, C: 12, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
– [5.31404, 0.0893873, 1.45351e-05, -7.4925e-08, 3.35325e-11, -2.98918e+04,
16.9741]
– [28.4782, 0.0537539, -1.68186e-05, 2.51367e-09, -1.47208e-13, -3.74118e+04,
-109.121]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.102
well-depth: 805.031
rotational-relaxation: 1.0
note: ‘000000’
– name: NC12H24OOH
composition: {H: 25, C: 12, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
– [5.15231, 0.0997913, -1.80635e-05, -4.18435e-08, 2.22786e-11, -2.3838e+04,
19.3526]
– [29.2019, 0.0515917, -1.57327e-05, 2.30306e-09, -1.3264e-13, -3.11192e+04,
-108.855]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.102
well-depth: 805.031
rotational-relaxation: 1.0
note: ‘000000’
– name: NOOC12H24OOH
composition: {H: 25, C: 12, O: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
– [0.481972, 0.14502, -9.99308e-05, 2.60422e-08, 1.19358e-12, -4.16875e+04,
41.3429]
– [35.0907, 0.051059, -1.54345e-05, 2.24627e-09, -1.28901e-13, -5.12675e+04,
-137.75]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.457
well-depth: 877.052
rotational-relaxation: 1.0
note: ‘000000’
– name: NC12ket
composition: {H: 24, C: 12, O: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
– [8.80733, 0.0650623, 6.95058e-05, -1.26905e-07, 5.10991e-11, -6.65361e+04,
6.84155]
– [23.6731, 0.0616392, -2.09836e-05, 3.33166e-09, -2.0359e-13, -7.18258e+04,
-77.7662]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 7.273
well-depth: 839.348
rotational-relaxation: 1.0
note: ‘000000’
– name: CHOTOLCH2O
composition: {C: 9, H: 9, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1556.0, 5000.0]
data:
– [4.35285589, 0.0644787147, -2.73127106e-05, 2.85053206e-10, 1.68031094e-12,
-8121.0131, 13.0964143]
– [26.4890415, 0.0253887181, -8.76001988e-06, 1.36952639e-09, -7.98900362e-14,
-1.69198617e+04, -110.019323]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 5.96
well-depth: 523.6
rotational-relaxation: 1.0
note: 18/17THERM
– name: TMBENZ
composition: {C: 9, H: 12}
thermo:
model: NASA7
temperature-ranges: [300.0, 1392.0, 5000.0]
data:
– [-0.50944523, 0.0771633123, -4.22120427e-05, 9.40469135e-09, -3.61797692e-13,
-4548.81569, 29.3852054]
– [22.4636256, 0.0309373045, -1.05672004e-05, 1.63939446e-09, -9.50754175e-14,
-1.31832285e+04, -96.4859907]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 5.96
well-depth: 523.6
rotational-relaxation: 1.0
note: 9/25/17GOK17
– name: O-XYLCH2
composition: {C: 9, H: 11}
thermo:
model: NASA7
temperature-ranges: [300.0, 1392.0, 5000.0]
data:
– [-3.42673437, 0.0938405759, -7.23402993e-05, 2.91583208e-08, -4.82826512e-12,
1.48980536e+04, 42.5450196]
– [23.5491327, 0.0280219819, -9.68147785e-06, 1.51340969e-09, -8.82294056e-14,
5773.66071, -101.400385]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 5.96
well-depth: 523.6
rotational-relaxation: 1.0
note: 9/25/17GOK17
– name: O-XYLCH2OO
composition: {C: 9, H: 11, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1430.0, 5000.0]
data:
– [4.91206986, 0.0613801024, -1.07748172e-05, -1.30777276e-08, 4.97053509e-12,
2101.14471, 9.70228486]
– [27.8906974, 0.0292440161, -1.01692679e-05, 1.59752054e-09, -9.34829377e-14,
-7776.29203, -120.922402]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 5.96
well-depth: 523.6
rotational-relaxation: 1.0
note: 25/17GOK17
– name: O-CH2TOLCH2OOH
composition: {C: 9, H: 11, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1393.0, 5000.0]
data:
– [-6.92238808, 0.133165281, -1.31622125e-04, 6.60866205e-08, -1.29953703e-11,
5366.72967, 60.4801749]
– [29.129352, 0.0278100555, -9.66891856e-06, 1.51762538e-09, -8.87206373e-14,
-5275.1081, -126.040128]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 5.96
well-depth: 523.6
rotational-relaxation: 1.0
note: 17GOK17
– name: O2CH2TOLCH2OOH
composition: {C: 9, H: 11, O: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1378.0, 5000.0]
data:
– [0.154622237, 0.108227622, -8.1220614e-05, 3.0598247e-08, -4.66060801e-12,
-7302.35161, 33.0231873]
– [34.5712614, 0.0280726306, -9.82773156e-06, 1.55116152e-09, -9.10780879e-14,
-1.92530673e+04, -151.86716]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 5.96
well-depth: 523.6
rotational-relaxation: 1.0
note: 17GOK17
– name: TMBKET
composition: {C: 9, H: 10, O: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1494.0, 5000.0]
data:
– [-9.46162756, 0.149116055, -1.50500744e-04, 7.28884952e-08, -1.33369524e-11,
-2.36062834e+04, 70.7452181]
– [28.7004158, 0.0290606087, -1.0377493e-05, 1.66359641e-09, -9.8817031e-14,
-3.33870626e+04, -122.524227]
extrapolate-scale: 1.0
extrapolate-order: 0
transport:
model: gas
geometry: nonlinear
diameter: 5.96
well-depth: 523.6
rotational-relaxation: 1.0
note: 9/25/17GOK17

reactions:
– equation: NC12H26 + O2 => NC12H25 + HO2 # Reaction 1
rate-constant: {A: 2.0e+15, b: 0.0, Ea: 5.015e+04}
– equation: NC12H26 + OH => NC12H25 + H2O # Reaction 2
rate-constant: {A: 3.0e+07, b: 1.85, Ea: 58.5}
– equation: NC12H26 + H => NC12H25 + H2 # Reaction 3
rate-constant: {A: 2.0e+08, b: 2.0, Ea: 2500.0}
– equation: NC12H26 + HO2 => NC12H25 + H2O2 # Reaction 4
rate-constant: {A: 2.12e+14, b: 0.0, Ea: 1.769e+04}
– equation: NC12H25 + O2 => NC12H25O2 # Reaction 5
rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1550.0}
– equation: NC12H25O2 => NC12H24OOH # Reaction 6
rate-constant: {A: 5.51e+13, b: 0.0, Ea: 1.9e+04}
– equation: NC12H24OOH + O2 => NOOC12H24OOH # Reaction 7
rate-constant: {A: 2.0e+11, b: 0.0, Ea: 0.0}
– equation: NOOC12H24OOH => NC12ket + OH # Reaction 8
rate-constant: {A: 8.91e+10, b: 0.0, Ea: 1.7e+04}
– equation: NC12ket => 2 C5H11CO + H2O # Reaction 9
rate-constant: {A: 1.98e+16, b: 0.0, Ea: 4.1e+04}
– equation: NC12H25 + O2 => NC12H24 + HO2 # Reaction 10
rate-constant: {A: 3.16e+11, b: 0.0, Ea: 6000.0}
– equation: NC12H24 + O2 => 4 C2H4 + C2H5 + CH2O + HCO # Reaction 11
rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
– equation: NC12H25 => 5 C2H4 + C2H5 # Reaction 12
rate-constant: {A: 4.0e+13, b: 0.0, Ea: 2.881e+04}
– equation: IC12H26 + O2 => IC12H25 + HO2 # Reaction 13
rate-constant: {A: 2.0e+15, b: 0.0, Ea: 5.015e+04}
– equation: IC12H26 + OH => IC12H25 + H2O # Reaction 14
rate-constant: {A: 3.0e+07, b: 1.85, Ea: 58.5}
– equation: IC12H26 + H => IC12H25 + H2 # Reaction 15
rate-constant: {A: 2.0e+08, b: 2.0, Ea: 2500.0}
– equation: IC12H26 + HO2 => IC12H25 + H2O2 # Reaction 16
rate-constant: {A: 2.12e+14, b: 0.0, Ea: 1.769e+04}
– equation: IC12H25 + O2 => IC12H25O2 # Reaction 17
rate-constant: {A: 2.0e+11, b: 0.0, Ea: 4000.0}
– equation: IC12H25O2 => IC12H24OOH # Reaction 18
rate-constant: {A: 5.51e+13, b: 0.0, Ea: 1.9e+04}
– equation: IC12H24OOH + O2 => IOOC12H24OOH # Reaction 19
rate-constant: {A: 2.0e+11, b: 0.0, Ea: 0.0}
– equation: IOOC12H24OOH => IC12ket + OH # Reaction 20
rate-constant: {A: 8.91e+10, b: 0.0, Ea: 1.7e+04}
– equation: IC12ket => 2 C5H11CO + H2O # Reaction 21
rate-constant: {A: 1.98e+16, b: 0.0, Ea: 4.1e+04}
– equation: IC12H25 + O2 => IC12H24 + HO2 # Reaction 22
rate-constant: {A: 3.16e+11, b: 0.0, Ea: 6000.0}
– equation: IC12H24 + O2 => 4 C2H4 + C2H5 + CH2O + HCO # Reaction 23
rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
– equation: IC12H25 => 5 C2H4 + C2H5 # Reaction 24
rate-constant: {A: 4.0e+13, b: 0.0, Ea: 2.881e+04}
– equation: NC10H22 + O2 => C10H21 + HO2 # Reaction 25
rate-constant: {A: 2.0e+15, b: 0.0, Ea: 5.015e+04}
– equation: NC10H22 + OH => C10H21 + H2O # Reaction 26
rate-constant: {A: 3.0e+07, b: 1.85, Ea: 58.5}
– equation: NC10H22 + H => C10H21 + H2 # Reaction 27
rate-constant: {A: 2.0e+08, b: 2.0, Ea: 2500.0}
– equation: NC10H22 + HO2 => C10H21 + H2O2 # Reaction 28
rate-constant: {A: 2.12e+14, b: 0.0, Ea: 1.769e+04}
– equation: C10H21 + O2 => C10H21O2 # Reaction 29
rate-constant: {A: 2.0e+11, b: 0.0, Ea: 2800.0}
– equation: C10H21O2 => C10H20OOH # Reaction 30
rate-constant: {A: 5.51e+13, b: 0.0, Ea: 1.9e+04}
– equation: C10H20OOH + O2 => OOC10H20OOH # Reaction 31
rate-constant: {A: 2.0e+11, b: 0.0, Ea: 0.0}
– equation: OOC10H20OOH => C10ket + OH # Reaction 32
rate-constant: {A: 8.91e+10, b: 0.0, Ea: 1.7e+04}
– equation: C10ket => CH2O + C5H11CO + OH + C2H5 + CH # Reaction 33
rate-constant: {A: 1.98e+16, b: 0.0, Ea: 4.1e+04}
– equation: C10H21 + O2 => C10H20 + HO2 # Reaction 34
rate-constant: {A: 3.16e+11, b: 0.0, Ea: 6000.0}
– equation: C10H20 + O2 => 4 C2H4 + 2 CH2O # Reaction 35
rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
– equation: C10H21 => 4 C2H4 + C2H5 # Reaction 36
rate-constant: {A: 4.0e+13, b: 0.0, Ea: 2.881e+04}
– equation: IC8H18 + O2 => C8H17 + HO2 # Reaction 37
rate-constant: {A: 2.0e+15, b: 0.0, Ea: 5.015e+04}
– equation: IC8H18 + OH => C8H17 + H2O # Reaction 38
rate-constant: {A: 3.0e+07, b: 1.85, Ea: 58.5}
– equation: IC8H18 + H => C8H17 + H2 # Reaction 39
rate-constant: {A: 2.0e+08, b: 2.0, Ea: 2500.0}
– equation: IC8H18 + HO2 => C8H17 + H2O2 # Reaction 40
rate-constant: {A: 2.12e+14, b: 0.0, Ea: 1.769e+04}
– equation: C8H17 + O2 => C8H17O2 # Reaction 41
rate-constant: {A: 2.0e+11, b: 0.0, Ea: 5000.0}
– equation: C8H17O2 => C8H16OOH # Reaction 42
rate-constant: {A: 5.51e+13, b: 0.0, Ea: 1.9e+04}
– equation: C8H16OOH + O2 => OOC8H16OOH # Reaction 43
rate-constant: {A: 2.0e+11, b: 0.0, Ea: 0.0}
– equation: OOC8H16OOH => C8ket + OH # Reaction 44
rate-constant: {A: 8.91e+10, b: 0.0, Ea: 1.7e+04}
– equation: C8ket => CH2O + C5H11CO + OH + CH2 # Reaction 45
rate-constant: {A: 1.98e+16, b: 0.0, Ea: 4.1e+04}
– equation: C8H17 + O2 => C8H16 + HO2 # Reaction 46
rate-constant: {A: 3.16e+11, b: 0.0, Ea: 6000.0}
– equation: C8H16 + O2 => 3 C2H4 + 2 CH2O # Reaction 47
rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
– equation: C8H17 => 3 C2H4 + C2H5 # Reaction 48
rate-constant: {A: 4.0e+13, b: 0.0, Ea: 2.881e+04}
– equation: C10H7CH3 => C10H7 + CH3 # Reaction 49
rate-constant: {A: 3.0e+11, b: 1.5, Ea: 67000}
– equation: O2 + C10H7 => C5H4 + C4H3 + CO2 # Reaction 50
rate-constant: {A: 2.6e+13, b: 0.0, Ea: 6120.0}
– equation: C10H7 + H => 2 C5H4 # Reaction 51
rate-constant: {A: 2.0e+14, b: 0.0, Ea: 7000}
– equation: OH + O-XYLCH2 => C2H4 + C4H4 + C2H2 + CH2O # Reaction 52
rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
– equation: HO2 + O-XYLCH2 => OH + CH2O + C2H4 + C4H4 + C2H # Reaction 53
rate-constant: {A: 1.0e+13, b: 0.0, Ea: 4800.0}
– equation: TMBENZ + H => O-XYLCH2 + H2 # Reaction 54
rate-constant: {A: 1.66e+14, b: 0.0, Ea: 9480.0}
– equation: TMBENZ + O => O-XYLCH2 + OH # Reaction 55
rate-constant: {A: 1.51e+05, b: 2.57, Ea: 3150.0}
– equation: TMBENZ + OH => O-XYLCH2 + H2O # Reaction 56
rate-constant: {A: 3.54e+05, b: 2.39, Ea: -602.0}
– equation: TMBENZ + O2 => O-XYLCH2 + HO2 # Reaction 57
rate-constant: {A: 8.72e+07, b: 2.5, Ea: 4.6e+04}
– equation: TMBENZ + HO2 => O-XYLCH2 + H2O2 # Reaction 58
rate-constant: {A: 4.2e+13, b: 0.0, Ea: 1.89e+04}
– equation: TMBENZ + CH3 => O-XYLCH2 + CH4 # Reaction 59
rate-constant: {A: 5.12, b: 3.8, Ea: 7400.0}
– equation: O-XYLCH2 + O2 <=> O-XYLCH2OO # Reaction 60
type: pressure-dependent-Arrhenius
rate-constants:
– {P: 0.1 atm, A: 3.28e+46, b: -11.59, Ea: 9000.0}
– {P: 1.0 atm, A: 2.82e+45, b: -10.974, Ea: 9730.0}
– {P: 10.0 atm, A: 9.56e+38, b: -8.765, Ea: 8430.0}
– {P: 100.0 atm, A: 4.6e+31, b: -6.36, Ea: 6510.0}
– equation: O-XYLCH2OO <=> O-CH2TOLCH2OOH # Reaction 61
rate-constant: {A: 1.0e+09, b: 0.85, Ea: 2.78e+04}
– equation: O-CH2TOLCH2OOH + O2 => O2CH2TOLCH2OOH # Reaction 62
type: pressure-dependent-Arrhenius
rate-constants:
– {P: 0.1 atm, A: 3.28e+46, b: -11.59, Ea: 9000.0}
– {P: 1.0 atm, A: 2.82e+45, b: -10.974, Ea: 9730.0}
– {P: 10.0 atm, A: 9.56e+38, b: -8.765, Ea: 8430.0}
– {P: 100.0 atm, A: 4.6e+31, b: -6.36, Ea: 6510.0}
– equation: O2CH2TOLCH2OOH => O-CH2TOLCH2OOH + O2 # Reaction 63
type: pressure-dependent-Arrhenius
rate-constants:
– {P: 0.1 atm, A: 6.82e+45, b: -10.7, Ea: 3.12e+04}
– {P: 1.0 atm, A: 1.14e+46, b: -10.48, Ea: 3.24e+04}
– {P: 10.0 atm, A: 1.72e+46, b: -10.2, Ea: 3.47e+04}
– {P: 100.0 atm, A: 5.89e+46, b: -10.05, Ea: 3.74e+04}
– equation: O2CH2TOLCH2OOH => OH + TMBKET # Reaction 64
rate-constant: {A: 1.0e+09, b: 0.85, Ea: 2.78e+04}
– equation: TMBKET => OH + C5H4 + C2H2 + CH2O + HCO # Reaction 65
rate-constant: {A: 3.0e+16, b: 0.0, Ea: 4.3e+04}
– equation: DECALIN + O2 => RDECALIN + HO2 # Reaction 66
rate-constant: {A: 2.0e+15, b: 0.0, Ea: 5.015e+04}
– equation: DECALIN + OH => RDECALIN + H2O # Reaction 67
rate-constant: {A: 3.0e+07, b: 1.85, Ea: 58.5}
– equation: DECALIN + H => RDECALIN + H2 # Reaction 68
rate-constant: {A: 2.0e+08, b: 2.0, Ea: 2500.0}
– equation: DECALIN + HO2 => RDECALIN + H2O2 # Reaction 69
rate-constant: {A: 2.12e+14, b: 0.0, Ea: 1.769e+04}
– equation: RDECALIN + O2 => RDECOO # Reaction 70
rate-constant: {A: 2.0e+11, b: 0.0, Ea: 5300.0}
– equation: RDECOO => QDECOOH # Reaction 71
rate-constant: {A: 5.51e+13, b: 0.0, Ea: 1.9e+04}
– equation: QDECOOH + O2 => ZDECA # Reaction 72
rate-constant: {A: 2.0e+11, b: 0.0, Ea: 0.0}
– equation: ZDECA => KHDECA + OH # Reaction 73
rate-constant: {A: 8.91e+10, b: 0.0, Ea: 1.7e+04}
– equation: KHDECA => OH + C5H11CO + C2H3 + CH + CO # Reaction 74
rate-constant: {A: 1.98e+16, b: 0.0, Ea: 4.1e+04}
– equation: RDECALIN + O2 => C10H16 + HO2 # Reaction 75
rate-constant: {A: 3.16e+11, b: 0.0, Ea: 6000.0}
– equation: C10H16 + O2 => 3 C2H4 + C2H + CH3O + CO # Reaction 76
rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
– equation: RDECALIN => C4H4 + C2H4 + C2H4 + CH4 + CH # Reaction 77
rate-constant: {A: 4.0e+13, b: 0.0, Ea: 2.881e+04}
– equation: C5H11CO + O2 => C2H5 + C2H4 + CH + CO + HO2 # Reaction 78
rate-constant: {A: 3.16e+13, b: 0.0, Ea: 1.0e+04}
– equation: C5H4 + H => C2H3 + C2H + CH # Reaction 79
rate-constant: {A: 1.0e+13, b: 0, Ea: 8500}
– equation: C5H4 + O2 => C2H3 + C2H + CO2 # Reaction 80
rate-constant: {A: 3.0e+13, b: 0, Ea: 30000}
– equation: C5H4 + H => C4H3 + CH2 # Reaction 81
rate-constant: {A: 1.6e+14, b: 0, Ea: 4800}
– equation: H + C4H4 => H2 + C4H3 # Reaction 82
rate-constant: {A: 3.0e+13, b: 0, Ea: 8240.0}
– equation: CH3 + C4H4 => CH4 + C4H3 # Reaction 83
rate-constant: {A: 5.0e+13, b: 0.0, Ea: 1.68e+04}
– equation: H + C4H3 => C4H4 # Reaction 84
rate-constant: {A: 2.0e+14, b: 0, Ea: 820}
– equation: H + C4H3 => H2 + C4H2 # Reaction 85
rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
– equation: OH + C4H3 => H2O + C4H2 # Reaction 86
rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0}
– equation: ‘ C4H2 + M => 2 C2H + M ‘ # Reaction 87
type: three-body
rate-constant: {A: 5.0e+14, b: 0, Ea: 30000}
– equation: OH + C4H2 => CO + C2H2 + CH # Reaction 88
rate-constant: {A: 3.0e+12, b: 0.0, Ea: 5000.0}
– equation: ‘ C2H5 + M => C2H4 + H + M ‘ # Reaction 89
type: three-body
rate-constant: {A: 1.0e+15, b: 0, Ea: 30000}
– equation: ‘ C2H4 + H + M => C2H5 + M ‘ # Reaction 90
type: three-body
rate-constant: {A: 4.17e+12, b: 0, Ea: 10030}
– equation: ‘ C2H5 + H => CH3 + CH3 ‘ # Reaction 91
rate-constant: {A: 1.2e+14, b: 0, Ea: 0}
– equation: ‘ C2H4 => C2H3 + H ‘ # Reaction 92
rate-constant: {A: 5.0e+12, b: 0, Ea: 41500}
– equation: ‘ C2H4 + H => C2H5’ # Reaction 93
rate-constant: {A: 2.5e+13, b: 1, Ea: 5000}
– equation: ‘ C2H4 + O => HCO + CH3 ‘ # Reaction 94
rate-constant: {A: 3.31e+12, b: 0, Ea: 1130}
– equation: ‘ HCO + CH3 => C2H4 + O’ # Reaction 95
rate-constant: {A: 1.58e+11, b: 0, Ea: 25000}
– equation: ‘ C2H4 + OH => C2H3 + H2O ‘ # Reaction 96
rate-constant: {A: 4.79e+12, b: 0, Ea: 1230}
– equation: ‘ C2H3 + H2O => C2H4 + OH’ # Reaction 97
rate-constant: {A: 1.2e+12, b: 0, Ea: 14000}
– equation: ‘ C2H4 + CH3 => C2H3 + CH4’ # Reaction 98
rate-constant: {A: 1.0e+13, b: 0, Ea: 13000}
– equation: ‘ C2H3 + CH4 => C2H4 + CH3’ # Reaction 99
rate-constant: {A: 3.02e+13, b: 0, Ea: 12580}
– equation: ‘ C2H2 + H + M => C2H3 + M ‘ # Reaction 100
type: three-body
rate-constant: {A: 1.23e+11, b: 1, Ea: 10360}
– equation: ‘ C2H3 + H => C2H2 + H2 ‘ # Reaction 101
rate-constant: {A: 2.0e+13, b: 0, Ea: 2500}
– equation: ‘ C2H3 => C2H + H2 ‘ # Reaction 102
rate-constant: {A: 5.0e+12, b: 0, Ea: 41500}
– equation: ‘ C2H + H + M => C2H2 + M ‘ # Reaction 103
type: three-body
rate-constant: {A: 1.1e+09, b: 1, Ea: 770}
– equation: ‘ C2H2 + H => C2H + H2 ‘ # Reaction 104
rate-constant: {A: 2.0e+14, b: 0, Ea: 19000}
– equation: ‘ C2H2 + OH => C2H + H2O ‘ # Reaction 105
rate-constant: {A: 8.0e+12, b: 0, Ea: 5000}
– equation: ‘ C2H + H2O => C2H2 + OH ‘ # Reaction 106
rate-constant: {A: 5.37e+12, b: 0, Ea: 16360}
– equation: ‘ C2H2 + O => C2H + OH ‘ # Reaction 107
rate-constant: {A: 3.24e+15, b: 0.6, Ea: 12000}
– equation: ‘ C2H + OH => C2H2 + O ‘ # Reaction 108
rate-constant: {A: 2.95e+14, b: 0.6, Ea: 910}
– equation: ‘ C2H + O2 => HCO + CO ‘ # Reaction 109
rate-constant: {A: 1.0e+13, b: 0, Ea: 6500}
– equation: ‘ HCO + CO => C2H + O2 ‘ # Reaction 110
rate-constant: {A: 8.51e+12, b: 0, Ea: 138400}
– equation: H + O2 => OH + O # Reaction 111
rate-constant: {A: 2.1e+14, b: 0, Ea: 16800}
– equation: OH + O => H + O2 # Reaction 112
rate-constant: {A: 1.4e+13, b: 0, Ea: 690}
– equation: O + H2 => OH + H # Reaction 113
rate-constant: {A: 1.8e+10, b: 1, Ea: 8826}
– equation: OH + H => O + H2 # Reaction 114
rate-constant: {A: 8.0e+09, b: 1, Ea: 6760}
– equation: H2 + OH => H2O + H # Reaction 115
rate-constant: {A: 1.17e+09, b: 1.3, Ea: 3626}
– equation: H2O + H => H2 + OH # Reaction 116
rate-constant: {A: 7.0e+09, b: 1.3, Ea: 18588}
– equation: OH + OH => O + H2O # Reaction 117
rate-constant: {A: 6.0e+08, b: 1.3, Ea: 0}
– equation: O + H2O => OH + OH # Reaction 118
rate-constant: {A: 5.9e+09, b: 1.3, Ea: 17029}
– equation: H + O2 + M => HO2 + M # Reaction 119
type: three-body
rate-constant: {A: 6.0e+17, b: -0.8, Ea: 0}
efficiencies: {CH4: 6.5, CO: 0.75, CO2: 1.5, H2: 1, H2O: 6.5, N2: 0.4,
O2: 0.4}
– equation: H + HO2 => OH + OH # Reaction 120
rate-constant: {A: 1.5e+14, b: 0, Ea: 1004}
– equation: H + HO2 => H2 + O2 # Reaction 121
rate-constant: {A: 2.5e+13, b: 0, Ea: 700}
– equation: OH + HO2 => H2O + O2 # Reaction 122
rate-constant: {A: 2.0e+13, b: 0, Ea: 1000}
– equation: CO + OH => CO2 + H # Reaction 123
rate-constant: {A: 1.51e+07, b: 1.3, Ea: -758}
– equation: CO2 + H => CO + OH # Reaction 124
rate-constant: {A: 1.57e+09, b: 1.3, Ea: 20900}
– equation: CH4 (+ M) => CH3 + H (+ M) # Reaction 125
type: falloff
low-P-rate-constant: {A: 1.0e+17, b: 0, Ea: 86000}
high-P-rate-constant: {A: 6.3e+14, b: 0, Ea: 104000}
efficiencies: {NC12H26: 3, IC12H26: 3, NC10H22: 3, IC8H18: 3, C10H7CH3: 3,
TMBENZ: 3, DECALIN: 3, CH4: 6.5, CO: 0.75, CO2: 1.5, H2: 1, H2O: 6.5,
N2: 0.4, O2: 0.4}
– equation: CH3 + H (+ M) => CH4 (+ M) # Reaction 126
type: falloff
low-P-rate-constant: {A: 8.25e+14, b: 0, Ea: -19310}
high-P-rate-constant: {A: 5.2e+12, b: 0, Ea: -1310}
efficiencies: {NC12H26: 3, IC12H26: 3, NC10H22: 3, IC8H18: 3, C10H7CH3: 3,
TMBENZ: 3, DECALIN: 3, CH4: 6.5, CO: 0.75, CO2: 1.5, H2: 1, H2O: 6.5,
N2: 0.4, O2: 0.4}
– equation: CH4 + H => CH3 + H2 # Reaction 127
rate-constant: {A: 2.2e+04, b: 3, Ea: 8750}
– equation: CH3 + H2 => CH4 + H # Reaction 128
rate-constant: {A: 957.0, b: 3, Ea: 8750}
– equation: CH4 + OH => CH3 + H2O # Reaction 129
rate-constant: {A: 1.6e+06, b: 2.1, Ea: 2460}
– equation: CH3 + H2O => CH4 + OH # Reaction 130
rate-constant: {A: 3.02e+05, b: 2.1, Ea: 17422}
– equation: CH3 + O => CH2O + H # Reaction 131
rate-constant: {A: 6.8e+13, b: 0, Ea: 0}
– equation: CH2O + H => HCO + H2 # Reaction 132
rate-constant: {A: 5.0e+13, b: 0, Ea: 3991}
– equation: CH2O + OH => HCO + H2O # Reaction 133
rate-constant: {A: 1.2e+14, b: 0, Ea: 1100}
– equation: HCO + H => CO + H2 # Reaction 134
rate-constant: {A: 4.0e+13, b: 0, Ea: 0}
– equation: HCO + M => CO + H + M # Reaction 135
type: three-body
rate-constant: {A: 1.6e+14, b: 0, Ea: 14700}
– equation: CH3 + O2 => CH3O + O # Reaction 136
rate-constant: {A: 5.0e+13, b: 0, Ea: 25652}
– equation: CH3O + H => CH2O + H2 # Reaction 137
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
– equation: CH3O + M => CH2O + H + M # Reaction 138
type: three-body
rate-constant: {A: 2.4e+13, b: 0, Ea: 28812}
– equation: HO2 + HO2 => H2O2 + O2 # Reaction 139
rate-constant: {A: 8.0e+13, b: 0, Ea: 0}
– equation: H2O2 + M => OH + OH + M # Reaction 140
type: three-body
rate-constant: {A: 1.3e+17, b: 0, Ea: 45500}
– equation: OH + OH + M => H2O2 + M # Reaction 141
type: three-body
rate-constant: {A: 9.86e+14, b: 0, Ea: -5070}
– equation: H2O2 + OH => H2O + HO2 # Reaction 142
rate-constant: {A: 1.0e+13, b: 0, Ea: 1800}
– equation: H2O + HO2 => H2O2 + OH # Reaction 143
rate-constant: {A: 2.86e+13, b: 0, Ea: 32790}
– equation: OH + H + M => H2O + M # Reaction 144
type: three-body
rate-constant: {A: 2.2e+22, b: -2, Ea: 0}
– equation: H + H + M => H2 + M # Reaction 145
type: three-body
rate-constant: {A: 1.8e+18, b: -1, Ea: 0}
– equation: ‘ CH3 + OH => CH2 + H2O ‘ # Reaction 146
rate-constant: {A: 7.6e+06, b: 2.0, Ea: 5000}
– equation: ‘ CH2 + O => CO + H2 ‘ # Reaction 147
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
– equation: ‘ CH2 + OH => CH + H2O ‘ # Reaction 148
rate-constant: {A: 4.0e+07, b: 2.0, Ea: 3000}
– equation: ‘ CH + O => CO + H ‘ # Reaction 149
rate-constant: {A: 5.7e+13, b: 0, Ea: 0}
– equation: ‘ CH + OH => HCO + H ‘ # Reaction 150
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
– equation: ‘ CH + O2 => HCO + O ‘ # Reaction 151
rate-constant: {A: 3.3e+13, b: 0, Ea: 0}
– equation: ‘ CH + CO2 => HCO + CO ‘ # Reaction 152
rate-constant: {A: 8.4e+13, b: 0, Ea: 200}
– equation: CO2 + M => CO + O + M # Reaction 153
type: three-body
rate-constant: {A: 1.0e+10, b: 0, Ea: 45500}