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wang99_reduced.yaml
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wang99_reduced.yaml
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generator: cti2yaml
cantera-version: 2.5.1
date: Thu, 24 Mar 2022 15:38:11 -0500
input-files: [usc.cti]
units: {length: cm, quantity: mol, activation-energy: cal/mol}
phases:
- name: gas
thermo: ideal-gas
elements: [O, H, C, N, Ar]
species: [H2, H, O, O2, OH, H2O, HO2, H2O2, C, CH, CH2, CH2*, CH3, CH4,
CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, H2CC, C2H3, C2H4,
C2H5, C2H6, HCCO, CH2CO, HCCOH, C2O, CH2CHO, CH3CHO, CH3CO, C3H2, C3H3,
pC3H4, aC3H4, cC3H4, aC3H5, CH3CCH2, CH3CHCH, C3H6, C2H3CHO, nC3H7,
iC3H7, C3H8, AR, N2]
#C4H, C4H2, H2C4O, n-C4H3, i-C4H3, C4H4, n-C4H5, i-C4H5,
#C4H6, C4H612, C4H7, C4H81, C6H2, C6H3, l-C6H4, c-C6H4, A1, A1-, C6H5O,
#C6H5OH, C5H6, C5H5, C5H4O, C5H4OH, C5H5O,
kinetics: gas
reactions: all
transport: mixture-averaged
state:
T: 300.0
P: 1.01325e+05
species:
- name: H2
composition: {H: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
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: '000000'
- name: H
composition: {H: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
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: '000000'
- name: O
composition: {O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
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: '000000'
- name: O2
composition: {O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
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: '000000'
- name: OH
composition: {H: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.12530561, -3.22544939e-03, 6.52764691e-06, -5.79853643e-09, 2.06237379e-12,
3381.53812, -0.69043296]
- [2.86472886, 1.05650448e-03, -2.59082758e-07, 3.05218674e-11, -1.33195876e-15,
3718.85774, 5.70164073]
transport:
model: gas
geometry: linear
diameter: 2.75
well-depth: 80.0
note: '000000'
- name: H2O
composition: {H: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
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: '000000'
- name: HO2
composition: {H: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.30179801, -4.74912051e-03, 2.11582891e-05, -2.42763894e-08, 9.29225124e-12,
294.80804, 3.71666245]
- [4.0172109, 2.23982013e-03, -6.3365815e-07, 1.1424637e-10, -1.07908535e-14,
111.856713, 3.78510215]
transport:
model: gas
geometry: nonlinear
diameter: 3.458
well-depth: 107.4
rotational-relaxation: 1.0
note: '000000'
- name: H2O2
composition: {H: 2, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
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: '000000'
- name: C
composition: {C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 3500.0]
data:
- [2.55423955, -3.21537724e-04, 7.33792245e-07, -7.32234889e-10, 2.66521446e-13,
8.54438832e+04, 4.53130848]
- [2.49266888, 4.79889284e-05, -7.2433502e-08, 3.74291029e-11, -4.87277893e-15,
8.54512953e+04, 4.80150373]
transport:
model: gas
geometry: atom
diameter: 3.298
well-depth: 71.4
note: L11/88
- name: CH
composition: {H: 1, C: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.48981665, 3.23835541e-04, -1.68899065e-06, 3.16217327e-09, -1.40609067e-12,
7.07972934e+04, 2.08401108]
- [2.87846473, 9.70913681e-04, 1.44445655e-07, -1.30687849e-10, 1.76079383e-14,
7.10124364e+04, 5.48497999]
transport:
model: gas
geometry: linear
diameter: 2.75
well-depth: 80.0
note: '000000'
- name: CH2
composition: {H: 2, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 5000.0]
data:
- [3.76267867, 9.68872143e-04, 2.79489841e-06, -3.85091153e-09, 1.68741719e-12,
4.60040401e+04, 1.56253185]
- [2.87410113, 3.65639292e-03, -1.40894597e-06, 2.60179549e-10, -1.87727567e-14,
4.6263604e+04, 6.17119324]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: LS/93
- name: CH2*
composition: {H: 2, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 3500.0]
data:
- [4.19860411, -2.36661419e-03, 8.2329622e-06, -6.68815981e-09, 1.94314737e-12,
5.04968163e+04, -0.769118967]
- [2.29203842, 4.65588637e-03, -2.01191947e-06, 4.17906e-10, -3.39716365e-14,
5.09259997e+04, 8.62650169]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: LS/93
- name: CH3
composition: {H: 3, C: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.6735904, 2.01095175e-03, 5.73021856e-06, -6.87117425e-09, 2.54385734e-12,
1.64449988e+04, 1.60456433]
- [2.28571772, 7.23990037e-03, -2.98714348e-06, 5.95684644e-10, -4.67154394e-14,
1.67755843e+04, 8.48007179]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: '000000'
- name: CH4
composition: {H: 4, C: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11,
-1.02466476e+04, -4.64130376]
- [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13,
-9468.34459, 18.437318]
transport:
model: gas
geometry: nonlinear
diameter: 3.746
well-depth: 141.4
polarizability: 2.6
rotational-relaxation: 13.0
note: '000000'
- name: CO
composition: {C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.57953347, -6.1035368e-04, 1.01681433e-06, 9.07005884e-10, -9.04424499e-13,
-1.4344086e+04, 3.50840928]
- [2.71518561, 2.06252743e-03, -9.98825771e-07, 2.30053008e-10, -2.03647716e-14,
-1.41518724e+04, 7.81868772]
transport:
model: gas
geometry: linear
diameter: 3.65
well-depth: 98.1
polarizability: 1.95
rotational-relaxation: 1.8
note: '000000'
- name: CO2
composition: {C: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.35677352, 8.98459677e-03, -7.12356269e-06, 2.45919022e-09, -1.43699548e-13,
-4.83719697e+04, 9.90105222]
- [3.85746029, 4.41437026e-03, -2.21481404e-06, 5.23490188e-10, -4.72084164e-14,
-4.8759166e+04, 2.27163806]
transport:
model: gas
geometry: linear
diameter: 3.763
well-depth: 244.0
polarizability: 2.65
rotational-relaxation: 2.1
note: '000000'
- name: HCO
composition: {H: 1, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.22118584, -3.24392532e-03, 1.37799446e-05, -1.33144093e-08, 4.33768865e-12,
3839.56496, 3.39437243]
- [2.77217438, 4.95695526e-03, -2.48445613e-06, 5.89161778e-10, -5.33508711e-14,
4011.91815, 9.79834492]
transport:
model: gas
geometry: nonlinear
diameter: 3.59
well-depth: 498.0
note: '000000'
- name: CH2O
composition: {H: 2, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.79372315, -9.90833369e-03, 3.73220008e-05, -3.79285261e-08, 1.31772652e-11,
-1.43089567e+04, 0.6028129]
- [1.76069008, 9.20000082e-03, -4.42258813e-06, 1.00641212e-09, -8.8385564e-14,
-1.39958323e+04, 13.656323]
transport:
model: gas
geometry: nonlinear
diameter: 3.59
well-depth: 498.0
rotational-relaxation: 2.0
note: '000000'
- name: CH2OH
composition: {H: 3, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.47832317, -1.35069687e-03, 2.78483707e-05, -3.64867397e-08, 1.47906775e-11,
-3524.76728, 3.30911984]
- [5.09312037, 5.9475855e-03, -2.06496524e-06, 3.23006703e-10, -1.88125052e-14,
-4058.13228, -1.84690613]
transport:
model: gas
geometry: nonlinear
diameter: 3.69
well-depth: 417.0
dipole: 1.7
rotational-relaxation: 2.0
note: '000000'
- name: CH3O
composition: {H: 3, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
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]
transport:
model: gas
geometry: nonlinear
diameter: 3.69
well-depth: 417.0
dipole: 1.7
rotational-relaxation: 2.0
note: '000000'
- name: CH3OH
composition: {H: 4, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [5.71539582, -0.0152309129, 6.52441155e-05, -7.10806889e-08, 2.61352698e-11,
-2.56427656e+04, -1.50409823]
- [1.78970791, 0.0140938292, -6.36500835e-06, 1.38171085e-09, -1.1706022e-13,
-2.53748747e+04, 14.5023623]
transport:
model: gas
geometry: nonlinear
diameter: 3.626
well-depth: 481.8
rotational-relaxation: 1.0
note: '000000'
- name: C2H
composition: {H: 1, C: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.88965733, 0.0134099611, -2.84769501e-05, 2.94791045e-08, -1.09331511e-11,
6.68393932e+04, 6.22296438]
- [3.16780652, 4.75221902e-03, -1.83787077e-06, 3.04190252e-10, -1.7723277e-14,
6.7121065e+04, 6.63589475]
transport:
model: gas
geometry: linear
diameter: 3.721
well-depth: 265.3
rotational-relaxation: 2.5
note: '000000'
- name: C2H2
composition: {H: 2, C: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [0.808681094, 0.0233615629, -3.55171815e-05, 2.80152437e-08, -8.50072974e-12,
2.64289807e+04, 13.9397051]
- [4.14756964, 5.96166664e-03, -2.37294852e-06, 4.67412171e-10, -3.61235213e-14,
2.59359992e+04, -1.23028121]
transport:
model: gas
geometry: linear
diameter: 3.721
well-depth: 265.3
rotational-relaxation: 2.5
note: '000000'
- name: H2CC
composition: {H: 2, C: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [3.2815483, 6.9764791e-03, -2.3855244e-06, -1.2104432e-09, 9.8189545e-13,
4.8621794e+04, 5.920391]
- [4.278034, 4.7562804e-03, -1.6301009e-06, 2.5462806e-10, -1.4886379e-14,
4.8316688e+04, 0.64023701]
transport:
model: gas
geometry: nonlinear
diameter: 4.1
well-depth: 209.0
rotational-relaxation: 2.5
note: L12/89
- name: C2H3
composition: {H: 3, C: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.21246645, 1.51479162e-03, 2.59209412e-05, -3.57657847e-08, 1.47150873e-11,
3.48598468e+04, 8.51054025]
- [3.016724, 0.0103302292, -4.68082349e-06, 1.01763288e-09, -8.62607041e-14,
3.46128739e+04, 7.78732378]
transport:
model: gas
geometry: nonlinear
diameter: 3.721
well-depth: 265.3
rotational-relaxation: 1.0
note: '000000'
- name: C2H4
composition: {H: 4, C: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.95920148, -7.57052247e-03, 5.70990292e-05, -6.91588753e-08, 2.69884373e-11,
5089.77593, 4.09733096]
- [2.03611116, 0.0146454151, -6.71077915e-06, 1.47222923e-09, -1.25706061e-13,
4939.88614, 10.3053693]
transport:
model: gas
geometry: nonlinear
diameter: 3.496
well-depth: 238.4
rotational-relaxation: 1.5
note: '000000'
- name: C2H5
composition: {H: 5, C: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.30646568, -4.18658892e-03, 4.97142807e-05, -5.99126606e-08, 2.30509004e-11,
1.28416265e+04, 4.70720924]
- [1.95465642, 0.0173972722, -7.98206668e-06, 1.75217689e-09, -1.49641576e-13,
1.285752e+04, 13.4624343]
transport:
model: gas
geometry: nonlinear
diameter: 4.35
well-depth: 247.5
rotational-relaxation: 1.5
note: '000000'
- name: C2H6
composition: {H: 6, C: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.29142492, -5.5015427e-03, 5.99438288e-05, -7.08466285e-08, 2.68685771e-11,
-1.15222055e+04, 2.66682316]
- [1.0718815, 0.0216852677, -1.00256067e-05, 2.21412001e-09, -1.9000289e-13,
-1.14263932e+04, 15.1156107]
transport:
model: gas
geometry: nonlinear
diameter: 4.35
well-depth: 247.5
rotational-relaxation: 1.5
note: '000000'
- name: HCCO
composition: {H: 1, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.2517214, 0.017655021, -2.3729101e-05, 1.7275759e-08, -5.0664811e-12,
2.0059449e+04, 12.490417]
- [5.6282058, 4.0853401e-03, -1.5934547e-06, 2.8626052e-10, -1.9407832e-14,
1.9327215e+04, -3.9302595]
transport:
model: gas
geometry: nonlinear
diameter: 2.5
well-depth: 150.0
rotational-relaxation: 1.0
note: '000000'
- name: CH2CO
composition: {H: 2, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.1358363, 0.0181188721, -1.73947474e-05, 9.34397568e-09, -2.01457615e-12,
-7042.91804, 12.215648]
- [4.51129732, 9.00359745e-03, -4.16939635e-06, 9.23345882e-10, -7.94838201e-14,
-7551.05311, 0.632247205]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: '000000'
- name: HCCOH
composition: {H: 2, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [1.2423733, 0.031072201, -5.0866864e-05, 4.3137131e-08, -1.4014594e-11,
8031.6143, 13.874319]
- [5.9238291, 6.79236e-03, -2.5658564e-06, 4.4987841e-10, -2.9940101e-14,
7264.626, -7.6017742]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: SRI91
- name: C2O
composition: {C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [3.368851, 8.241803e-03, -8.765145e-06, 5.569262e-09, -1.540009e-12,
3.317081e+04, 6.713314]
- [4.849809, 2.947585e-03, -1.090729e-06, 1.792562e-10, -1.115758e-14,
3.282055e+04, -0.6453226]
transport:
model: gas
geometry: linear
diameter: 3.828
well-depth: 232.4
rotational-relaxation: 1.0
note: '121286'
- name: CH2CHO
composition: {H: 3, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [1.0134001, 0.022681467, -1.5733944e-05, 4.0491503e-09, 2.9599012e-13,
380.42853, 19.356552]
- [5.1662006, 0.010847826, -4.4658368e-06, 8.0628548e-10, -4.8410193e-14,
-731.99347, -1.9633361]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: '000000'
- name: CH3CHO
composition: {H: 4, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.7294595, -3.1932858e-03, 4.7534921e-05, -5.7458611e-08, 2.1931112e-11,
-2.1572878e+04, 4.1030159]
- [5.4041108, 0.011723059, -4.2263137e-06, 6.8372451e-10, -4.0984863e-14,
-2.2593122e+04, -3.4807917]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: '000000'
- name: CH3CO
composition: {H: 3, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [4.1634257, -2.326161e-04, 3.426782e-05, -4.4105227e-08, 1.7275612e-11,
-2657.4529, 7.346828]
- [5.9447731, 7.8667205e-03, -2.8865882e-06, 4.7270875e-10, -2.8599861e-14,
-3787.3075, -5.0136751]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: '000000'
- name: C3H2
composition: {H: 2, C: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [2.691077, 0.01480366, -3.250551e-06, -8.644363e-09, 5.284878e-12,
5.219072e+04, 8.757391]
- [6.530853, 5.870316e-03, -1.720777e-06, 2.127498e-10, -8.29191e-15,
5.115214e+04, -11.22728]
transport:
model: gas
geometry: nonlinear
diameter: 4.1
well-depth: 209.0
rotational-relaxation: 1.0
note: '121686'
- name: C3H3
composition: {H: 3, C: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [1.35110927, 0.0327411223, -4.73827135e-05, 3.76309808e-08, -1.18540923e-11,
4.01057783e+04, 15.2058924]
- [7.1422188, 7.61902005e-03, -2.6745995e-06, 4.24914801e-10, -2.51475415e-14,
3.89087427e+04, -12.5848436]
transport:
model: gas
geometry: linear
diameter: 4.29
well-depth: 324.8
rotational-relaxation: 1.0
note: '000000'
- name: pC3H4
composition: {H: 4, C: 3}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.6803869, 0.015799651, 2.5070596e-06, -1.3657623e-08, 6.6154285e-12,
2.0802374e+04, 9.8769351]
- [6.02524, 0.011336542, -4.0223391e-06, 6.4376063e-10, -3.8299635e-14,
1.9620942e+04, -8.6043785]
transport:
model: gas
geometry: linear
diameter: 4.76
well-depth: 252.0
rotational-relaxation: 1.0
note: T2/90
- name: aC3H4
composition: {H: 4, C: 3}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
- [2.6130445, 0.012122575, 1.853988e-05, -3.4525149e-08, 1.5335079e-11,
2.1541567e+04, 10.226139]
- [6.3168722, 0.011133728, -3.9629378e-06, 6.3564238e-10, -3.787554e-14,
2.0117495e+04, -10.995766]
transport:
model: gas
geometry: linear
diameter: 4.76
well-depth: 252.0
rotational-relaxation: 1.0
note: L8/89
- name: cC3H4
composition: {H: 4, C: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [-0.024621047, 0.023197215, -1.8474357e-06, -1.5927593e-08, 8.6846155e-12,
3.2334137e+04, 22.729762]
- [6.6999931, 0.010357372, -3.4551167e-06, 5.0652949e-10, -2.6682276e-14,
3.0199051e+04, -13.37877]
transport:
model: gas
geometry: linear
diameter: 4.76
well-depth: 252.0
rotational-relaxation: 1.0
note: T12/81
- name: aC3H5
composition: {H: 5, C: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [1.3631835, 0.019813821, 1.249706e-05, -3.3355555e-08, 1.5846571e-11,
1.9245629e+04, 17.173214]
- [6.5007877, 0.014324731, -5.6781632e-06, 1.1080801e-09, -9.0363887e-14,
1.7482449e+04, -11.24305]
transport:
model: gas
geometry: nonlinear
diameter: 4.22
well-depth: 316.0
rotational-relaxation: 1.0
note: PD5/98
- name: CH3CCH2
composition: {H: 5, C: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [1.7329209, 0.02239462, -5.1490611e-06, -6.7596466e-09, 3.8253211e-12,
2.9040498e+04, 16.568878]
- [5.4255528, 0.015511072, -5.667835e-06, 7.9224388e-10, -1.6878034e-14,
2.7843027e+04, -3.3527184]
transport:
model: gas
geometry: nonlinear
diameter: 4.22
well-depth: 316.0
rotational-relaxation: 1.0
note: PD5/98
- name: CH3CHCH
composition: {H: 5, C: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [0.91372931, 0.026432343, -1.175895e-05, -2.3035678e-09, 2.7715488e-12,
3.0916867e+04, 19.989269]
- [5.3725281, 0.015780509, -5.992285e-06, 9.3089664e-10, -3.6550966e-14,
2.961476e+04, -3.4186478]
transport:
model: gas
geometry: nonlinear
diameter: 4.22
well-depth: 316.0
rotational-relaxation: 1.0
note: PD5/98
- name: C3H6
composition: {H: 6, C: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [1.493307, 0.02092518, 4.486794e-06, -1.668912e-08, 7.158146e-12,
1074.826, 16.14534]
- [6.732257, 0.01490834, -4.949899e-06, 7.212022e-10, -3.766204e-14,
-923.5703, -13.31335]
transport:
model: gas
geometry: nonlinear
diameter: 4.14
well-depth: 307.8
rotational-relaxation: 1.0
note: '000000'
- name: C2H3CHO
composition: {H: 4, C: 3, O: 1}
thermo:
model: NASA7
temperature-ranges: [298.15, 1000.0, 3000.0]
data:
- [1.1529584, 0.028040214, -1.5072153e-05, 1.5905842e-09, 8.4930371e-13,
-1.0417694e+04, 21.453279]
- [4.835318, 0.019772601, -1.0426628e-05, 2.6525803e-09, -2.6278207e-13,
-1.1557837e+04, 1.8853144]
transport:
model: gas
geometry: nonlinear
diameter: 4.958
well-depth: 428.8
dipole: 2.9
rotational-relaxation: 1.0
note: T6/92
- name: nC3H7
composition: {H: 7, C: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [1.0491173, 0.026008973, 2.3542516e-06, -1.9595132e-08, 9.3720207e-12,
1.0312346e+04, 21.136034]
- [7.7097479, 0.016031485, -5.2720238e-06, 7.5888352e-10, -3.8862719e-14,
7976.2236, -15.515297]
transport:
model: gas
geometry: nonlinear
diameter: 4.81
well-depth: 303.4
rotational-relaxation: 1.0
note: P11/94
- name: iC3H7
composition: {H: 7, C: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [1.4449199, 0.020999112, 7.7036222e-06, -1.8476253e-08, 7.1282962e-12,
9422.3724, 20.116317]
- [6.5192741, 0.017220104, -5.7364217e-06, 8.4130732e-10, -4.4565913e-14,
7322.7193, -9.0830215]
transport:
model: gas
geometry: nonlinear
diameter: 4.81
well-depth: 303.4
rotational-relaxation: 1.0
note: P11/94
- name: C3H8
composition: {H: 8, C: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 5000.0]
data:
- [0.92851093, 0.026460566, 6.0332446e-06, -2.1914953e-08, 9.4961544e-12,
-1.4057907e+04, 19.225538]
- [7.5244152, 0.018898282, -6.2921041e-06, 9.2161457e-10, -4.8684478e-14,
-1.6564394e+04, -17.838375]
transport:
model: gas
geometry: nonlinear
diameter: 4.81
well-depth: 303.4
rotational-relaxation: 1.0
note: '000000'
- name: C4H
composition: {H: 1, C: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [1.3186295, 0.038582956, -7.1385623e-05, 6.5356359e-08, -2.2617666e-11,
9.5456106e+04, 15.567583]
- [7.7697593, 4.9829976e-03, -1.7628546e-06, 2.8144284e-10, -1.6689869e-14,
9.43459e+04, -14.165274]
transport:
model: gas
geometry: linear
diameter: 4.72
well-depth: 357.0
rotational-relaxation: 1.0
note: P1/93
- name: C4H2
composition: {H: 2, C: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [-0.3920103, 0.051937565, -9.173734e-05, 8.0471986e-08, -2.6898218e-11,
5.4845266e+04, 20.957794]
- [8.6637708, 6.7247189e-03, -2.3593397e-06, 3.750638e-10, -2.223094e-14,
5.3252275e+04, -21.093503]
transport:
model: gas
geometry: linear
diameter: 4.72
well-depth: 357.0
rotational-relaxation: 1.0
note: P1/93
- name: H2C4O
composition: {H: 2, C: 4, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 4000.0]
data:
- [4.810971, 0.01313999, 9.865073e-07, -6.12072e-09, 1.640003e-12, 2.545803e+04,
2.113424]
- [10.26888, 4.896164e-03, -4.885081e-07, -2.708566e-10, 5.107013e-14,
2.346903e+04, -28.15985]
transport:
model: gas
geometry: nonlinear
diameter: 5.18
well-depth: 357.0
rotational-relaxation: 1.0
note: '120189'
- name: n-C4H3
composition: {H: 3, C: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [-0.31684113, 0.0469121, -6.809381e-05, 5.3179921e-08, -1.6523005e-11,
6.2476199e+04, 24.622559]
- [5.4328279, 0.016860981, -9.4313109e-06, 2.5703895e-09, -2.7456309e-13,
6.160068e+04, -1.5673981]
transport:
model: gas
geometry: nonlinear
diameter: 5.18
well-depth: 357.0
rotational-relaxation: 1.0
note: H6W/94
- name: i-C4H3
composition: {H: 3, C: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [2.0830412, 0.040834274, -6.2159685e-05, 5.1679358e-08, -1.7029184e-11,
5.8005129e+04, 13.617462]
- [9.0978165, 9.2207119e-03, -3.3878441e-06, 4.9160498e-10, -1.452978e-14,
5.6600574e+04, -19.802597]
transport:
model: gas
geometry: nonlinear
diameter: 5.18
well-depth: 357.0
rotational-relaxation: 1.0
note: AB1/93
- name: C4H4
composition: {H: 4, C: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [-1.9152479, 0.052750878, -7.1655944e-05, 5.5072423e-08, -1.7286228e-11,
3.2978504e+04, 31.419983]
- [6.6507092, 0.016129434, -7.1938875e-06, 1.4981787e-09, -1.186411e-13,
3.1195992e+04, -9.7952118]
transport:
model: gas
geometry: nonlinear
diameter: 5.18
well-depth: 357.0
rotational-relaxation: 1.0
note: H6W/94
- name: n-C4H5
composition: {H: 5, C: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [0.16305321, 0.039830137, -3.4000128e-05, 1.5147233e-08, -2.4665825e-12,
4.1429766e+04, 23.536163]
- [9.8501978, 0.010779008, -1.3672125e-06, -7.7200535e-10, 1.8366314e-13,
3.8840301e+04, -26.001846]
transport:
model: gas
geometry: nonlinear
diameter: 5.18
well-depth: 357.0
rotational-relaxation: 1.0
note: H6W/94
- name: i-C4H5
composition: {H: 5, C: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [-0.0199329, 0.038005672, -2.755945e-05, 7.7835551e-09, 4.0209383e-13,
3.7496223e+04, 24.394241]
- [10.229092, 9.4850138e-03, -9.0406445e-08, -1.25961e-09, 2.4781468e-13,
3.4642812e+04, -28.564529]
transport:
model: gas
geometry: nonlinear
diameter: 5.18
well-depth: 357.0
rotational-relaxation: 1.0
note: H6W/94
- name: C4H6
composition: {H: 6, C: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]
data:
- [11.10787, -6.302794e-03, 5.36192e-05, -5.914519e-08, 2.123863e-11,
9686.877, -29.92869]
- [9.843862, 0.01544517, -5.7172e-06, 1.014516e-09, -6.865593e-14, 9077.228,
-28.00343]
transport:
model: gas
geometry: nonlinear
diameter: 4.72
well-depth: 357.0
rotational-relaxation: 1.0
- name: C4H612
composition: {H: 6, C: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1000.0, 3000.0]