description: |- #-------------------------- # the modified mechanism #-------------------------- # # Reference: # Rodger E. Cornell and Michael P. Burke, # "Low-Temperature Oxidation Pathways are Critical to Thermal # Incineration of PFAS Laden Materials", # Journal of Hazardous Materials Letters, submitted Oct. 2023. # # Below is the ‘modified’ chemical kinetic model that includes the # CF3O2 reaction set presented in Table 1 of the published manuiscript # (cited above). This model was assembled by combining the C/F/H/O # model of Babushok et al. [1,2] with the C/H/N/O model of Glarborg # et al. [3]. # # Included at the end of the reaction set are additional # F/N/O reactions that are excluded from most published kinetics # models. These reactions did not significantly influence predictions # presented in the manuscript, but they may be important to consider # in other unexplored systems. # # (1) V. I. Babushok, D. R. Burgess Jr, D. K. Kim, M. J. # Hegetschweiler, G. T. Linteris, # "Modeling of combustion of fluorine-containing refrigerants", # NIST Tech. Note (2021) 999. # # (2) D. R. Burgess Jr, V. I. Babushok, J. A. Manion, # "A chemical kinetic mechanism for combustion and flame propagation # of CH2F2/O2/N2 mixtures", # Int. J. Chem. Kinet. 54 (2022) 154–187. # # (3) P. Glarborg, J. A. Miller, B. Ruscic, S. J. Klippenstein, # Modeling nitrogen chemistry in combustion, # Progress in Energy and Combustion Science 67 31–68 (2018). # # For more information, please contact... # Rodger E. Cornell # U.S. Army DEVCOM - Army Research Laboratory # Weapon Propulsion Sciences Branch # Aberdeen Proving Ground, MD 21005 # rodger.e.cornell.civ@army.mil # generator: ck2yaml input-files: [combined-mech.txt, combined-therm.txt, combined-tran.txt] cantera-version: 2.6.0 date: Aug 2023 units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol} phases: - name: gas thermo: ideal-gas elements: [O, H, C, N, F, He, Ar] species: [H2, O2, O3, H, O, OH, HO2, H2O, H2O2, CO, CO2, CH4, CH3, CH2, CH2(S), CH, C, CH3OH, CH3O, CH2OH, CH2O, HCOH, HCO, HOCO, HOCHO, OCHO, HOCH2O, CH3OOH, CH3OO, CH2OOH, C2H6, C2H5, C2H4, C2H3, C2H2, H2CC, C2H, C2, CH3CH2OH, CH3CHOH, CH3CH2O, CH2CH2OH, CH3CHO, CH2CHOH, cC2H4O, CHCHOH, cC2H3O, CH2CHO, CH3CO, CH2CO, CHCHO, HCCOH, HCCO, C2O, CH3CH2OOH, CH3CH2OO, CH3CHOOH, CH2CH2OOH, CH2CHOOH, HOCH2CH2OO, CH2CHOO, OCHCHO, OCHCO, CH3C(O)OOH, CH3C(O)OO, CH3C(O)O, NO, HCN, NH3, NH2, NH, N, NNH, N2H4, N2H3, N2H2, H2NN, NH2OH, H2NO, HNOH, HNO, HON, NO2, HONO, HNO2, NO3, HONO2, N2O, HNC, CN, HNCO, HOCN, HCNO, NCO, NCN, HNCN, NCNO, NCNOH, HNCNH, NCCN, CH3NO, CH2NO, C2H5NO, CH3CHNO, CH2CHNO, CHCHNO, CH3NO2, CH2NO2, C2H5NO2, CH2CH2NO2, CH3CHNO2, CH3ONO, CH3ONO2, CH3CH2ONO, CH3CH2ONO2, CH3NH2, CH2NH2, CH3NH, CH2NH, H2CN, HCNH, CH3CH2NH2, CH2CH2NH2, CH3CHNH2, CH3CH2NH, CH2CHNH2, CH3CHNH, CH2CHNH, CH2CNH2, CH3CNH, CH3CHN, CHCHNH2, CH3CN, CHCNH2, CH2CNH, CH2CHN, CH2CHN(S), c-C2H3N, CH2CN, CHCNH, H2NCHO, H2NCO, CH3NHCH3, CH3NHCH2, CH3NCH3, CH3NCH2, CH2NCH2, CH3NCH, AR, HE, N2, HF, F, F2, CH3F, CH2F2, CHF3, CF4, CH2F, CHF2, CF3, CHF, CF2, CF, CF3O, CF2O, CHFO, CFO, CH3-CH2F, CH3-CHF2, CH3-CF3, CH2F-CH2F, CH2F-CHF2, CH2F-CF3, CHF2-CHF2, CHF2-CF3, CF3-CF3, CH3-CHF, CH3-CF2, CH2F-CH2, CH2F-CHF, CH2F-CF2, CHF2-CH2, CHF2-CHF, CHF2-CF2, CF3-CH2, CF3-CHF, CF3-CF2, CH2CHF, CH2CF2, 'CHFCHF[Z]', CHFCF2, CF2CF2, CH2CF, 'CHFCH[Z]', 'CHFCF[Z]', CF2CH, CF2CF, C2HF, C2F2, CHFCO, CF2CO, CFCO, C3F7H, C3F7, C3F6, C3F7O2, C3F7O, C3F6O, C3F7OH, CF3COF, CF3CO, CF3CHO, CF3CHCH2, CF3CCH2, CF3CHCH, CF3CCH, CF3COCH3, CH2CFCF3, CH-CFCF3, CFCCF3, CHFCHCF3, CFCHCF3, CHFCCF3, CH2CFO, C3H6, C3H7, C3H8, CH3CCH2, FO, FO2, F2O, CF3O2, CF3OOH, FNO, FNO2, FONO2, NF, NF2, NF3, N2F4, FHO] kinetics: gas transport: mixture-averaged state: {T: 300.0, P: 1 atm} species: - name: FO composition: {F: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.34438108, -5.37168023e-03, 1.77166504e-05, -2.0007312e-08, 7.67510992e-12, 1.22051341e+04, 2.24948929] - [4.10435161, 3.22444815e-04, -6.01630664e-08, -1.10998596e-11, 1.61567239e-15, 1.20593514e+04, 2.35480534] transport: model: gas geometry: linear diameter: 3.412 well-depth: 109.6 - name: FO2 composition: {F: 1, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1360.0, 3000.0] data: - [3.6727894, 7.6317941e-03, -7.9426701e-06, 4.0752038e-09, -8.3001063e-13, 138.8752, 8.2723509] - [5.6242097, 1.7066411e-03, -8.9995239e-07, 2.2561211e-10, -2.2048285e-14, -400.13089, -1.7257001] transport: model: gas geometry: nonlinear diameter: 3.458 well-depth: 107.4 - name: F2O composition: {F: 2, O: 1} thermo: model: Shomate temperature-ranges: [298.0, 600.0, 6000.0] data: - [15.06976, 136.2612, -172.8088, 81.40767, 0.071893, 15.57553, 232.4333] - [57.26808, 0.640466, -0.150702, 0.011677, -1.898625, 1.585041, 307.3976] transport: model: gas geometry: nonlinear diameter: 2.605 well-depth: 572.4 dipole: 1.844 rotational-relaxation: 4.0 - name: CF3O2 composition: {C: 1, O: 2, F: 3} thermo: model: NASA7 temperature-ranges: [100.0, 1000.0, 6000.0] data: - [2.49656233, 0.0299471047, -2.47581831e-05, 5.25528814e-09, 1.35209161e-12, -7.81084778e+04, 16.863504] - [11.5830008, 4.05730114e-03, -1.60740324e-06, 2.77385244e-10, -1.74202485e-14, -8.0448563e+04, -29.5872968] transport: model: gas geometry: nonlinear well-depth: 481.8 diameter: 3.626 rotational-relaxation: 1.0 - name: CF3OOH composition: {C: 1, H: 1, O: 2, F: 3} thermo: model: NASA7 temperature-ranges: [100.0, 1000.0, 6000.0] data: - [0.416095931, 0.0450751442, -3.95806976e-05, 8.89675063e-09, 2.08585233e-12, -9.8881699e+04, 24.292611] - [15.4948286, 1.92982092e-03, -6.17123709e-07, 9.0642084e-11, -5.02237088e-15, -1.02755926e+05, -52.7459596] note: DIEVAR transport: model: gas geometry: nonlinear well-depth: 238.4 diameter: 3.496 rotational-relaxation: 1.5 note: same as CH3OOH - name: FNO composition: {F: 1, N: 1, O: 1} thermo: model: Shomate temperature-ranges: [298.0, 1000.0, 6000.0] data: - [32.62143, 42.23497, -28.49455, 7.259868, -0.135657, -77.51027, 275.4059] - [56.25472, 1.109246, -0.228219, 0.016019, -3.709208, -91.76809, 303.0237] transport: model: gas geometry: nonlinear diameter: 3.43 well-depth: 170.0 dipole: 1.62 rotational-relaxation: 1.0 - name: FNO2 composition: {F: 1, N: 1, O: 2} thermo: model: Shomate temperature-ranges: [298.0, 1100.0, 6000.0] data: - [25.7849, 112.9375, -89.46061, 26.17284, -0.208291, -121.4527, 260.3523] - [81.1265, 1.116488, -0.224392, 0.015461, -6.92565, -150.8014, 332.9213] transport: model: gas geometry: nonlinear diameter: 3.95 well-depth: 350.0 dipole: 1.639 rotational-relaxation: 1.0 - name: FONO2 composition: {F: 1, N: 1, O: 3} thermo: model: Shomate temperature-ranges: [298.0, 1100.0, 6000.0] data: - [31.64016, 160.5564, -133.7537, 40.67179, -0.31067, -6.052282, 287.1847] - [106.138, 1.081908, -0.217921, 0.015041, -8.304028, -43.14792, 389.4522] transport: model: gas geometry: nonlinear diameter: 4.2 well-depth: 400.0 dipole: 0.2 rotational-relaxation: 1.0 - name: NF composition: {N: 1, F: 1} thermo: model: Shomate temperature-ranges: [298.0, 1000.0, 6000.0] data: - [19.91714, 40.74187, -36.46059, 11.98959, 0.106823, 241.8553, 229.3464] - [37.09401, 0.624278, -0.038341, 2.707e-03, -1.399909, 234.0864, 254.4951] transport: model: gas geometry: linear diameter: 2.65 well-depth: 80.0 rotational-relaxation: 4.0 - name: NF2 composition: {N: 1, F: 2} thermo: model: Shomate temperature-ranges: [298.0, 1100.0, 6000.0] data: - [24.50652, 78.76338, -70.787, 22.72648, -0.116441, 31.63907, 258.4097] - [57.82748, 0.209473, -0.042487, 2.946e-03, -2.895307, 16.91646, 307.7767] transport: model: gas geometry: nonlinear diameter: 2.65 well-depth: 80.0 polarizability: 2.26 rotational-relaxation: 4.0 - name: NF3 composition: {N: 1, F: 3} thermo: model: Shomate temperature-ranges: [298.0, 1000.0, 6000.0] data: - [26.4561, 142.2606, -137.6134, 47.68505, -0.404491, -146.5375, 253.7876] - [82.54781, 0.345728, -0.071941, 5.089e-03, -4.482487, -169.6763, 340.786] transport: model: gas geometry: nonlinear diameter: 2.92 well-depth: 481.0 dipole: 1.47 rotational-relaxation: 10.0 - name: N2F4 composition: {N: 2, F: 4} thermo: model: Shomate temperature-ranges: [298.0, 1100.0, 6000.0] data: - [39.04848, 224.536, -205.0875, 66.64526, -0.925509, -31.41933, 284.8057] - [132.1588, 0.488239, -0.098902, 6.853e-03, -8.286706, -71.53427, 424.8936] transport: model: gas geometry: nonlinear diameter: 4.23 well-depth: 205.0 polarizability: 4.26 rotational-relaxation: 1.5 - name: FHO composition: {F: 1, H: 1, O: 1} thermo: model: Shomate temperature-ranges: [298.0, 1300.0, 6000.0] data: - [24.78773, 45.03365, -30.03238, 8.137128, 0.013346, -107.4229, 244.6766] - [49.80592, 4.15108, -0.76686, 0.049557, -6.154957, -125.8041, 270.6278] transport: model: gas geometry: nonlinear diameter: 3.43 well-depth: 170.0 dipole: 1.62 rotational-relaxation: 1.0 - name: H2 composition: {H: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.37694204, 7.73916922e-03, -1.88735073e-05, 1.95517114e-08, -7.17095663e-12, -921.173081, 0.547184736] - [2.90207649, 8.68992581e-04, -1.6586443e-07, 1.90851899e-11, -9.31121789e-16, -797.948726, -0.84559132] transport: model: gas geometry: linear well-depth: 38.0 diameter: 2.92 polarizability: 0.79 rotational-relaxation: 280.0 - name: O2 composition: {O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.78498258, -3.02002233e-03, 9.92029171e-06, -9.77840434e-09, 3.28877702e-12, -1064.13589, 3.64780709] - [3.65980488, 6.59877372e-04, -1.44158172e-07, 2.14656037e-11, -1.36503784e-15, -1216.03048, 3.42074148] transport: model: gas geometry: linear well-depth: 107.4 diameter: 3.458 polarizability: 1.6 rotational-relaxation: 3.8 - name: O3 composition: {O: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.31673393, 2.68546939e-03, 1.2241166e-05, -2.07427723e-08, 9.22985344e-12, 1.58667815e+04, 8.66105917] - [10.1625308, -7.7689699e-03, 5.47843588e-06, -1.22951829e-09, 8.79720138e-14, 1.34525105e+04, -29.0111737] transport: model: gas geometry: nonlinear well-depth: 180.0 diameter: 4.1 rotational-relaxation: 2.0 - name: H composition: {H: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.49975925, 6.73824499e-07, 1.11807261e-09, -3.70192126e-12, 2.14233822e-15, 2.54737665e+04, -0.445574009] - [2.49985211, 2.34582548e-07, -1.16171641e-10, 2.25708298e-14, -1.52992005e-18, 2.54738024e+04, -0.445864645] transport: model: gas geometry: atom well-depth: 145.0 diameter: 2.05 - name: O composition: {O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.15906526, -3.21509999e-03, 6.49255543e-06, -5.98755115e-09, 2.06876117e-12, 2.91298453e+04, 2.09078344] - [2.55160087, -3.83085457e-05, 8.43197478e-10, 4.01267136e-12, -4.17476574e-16, 2.92287628e+04, 4.87617014] transport: model: gas geometry: atom well-depth: 80.0 diameter: 2.75 - name: OH composition: {H: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.97585165, -2.28555291e-03, 4.33442882e-06, -3.5992664e-09, 1.2670693e-12, 3393.41137, -0.0355397262] - [2.84581721, 1.09723818e-03, -2.89121101e-07, 4.0909991e-11, -2.31382258e-15, 3717.0661, 5.80339915] transport: model: gas geometry: linear well-depth: 80.0 diameter: 2.75 - name: HO2 composition: {H: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.2625125, -4.45642032e-03, 2.05164934e-05, -2.35794011e-08, 9.05614257e-12, 262.442356, 3.88223684] - [4.1056401, 2.04046836e-03, -3.65877562e-07, 1.85973044e-11, 4.98818315e-16, 43.2898769, 3.30808126] transport: model: gas geometry: nonlinear well-depth: 107.4 diameter: 3.458 rotational-relaxation: 1.0 - name: H2O composition: {H: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.20147551, -2.05583546e-03, 6.56547207e-06, -5.5290696e-09, 1.78282605e-12, -3.02950066e+04, -0.860610906] - [2.73117512, 2.95136995e-03, -8.35359785e-07, 1.26088593e-10, -8.40531676e-15, -2.99169082e+04, 6.55183] transport: model: gas geometry: nonlinear well-depth: 572.4 diameter: 2.605 dipole: 1.844 rotational-relaxation: 4.0 - name: H2O2 composition: {H: 2, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.2385416, -2.49610911e-04, 1.59857901e-05, -2.06919945e-08, 8.2976632e-12, -1.76486003e+04, 3.58850097] - [4.5401748, 4.15970971e-03, -1.30876777e-06, 2.00823615e-10, -1.15509243e-14, -1.79514029e+04, 0.855881745] transport: model: gas geometry: nonlinear well-depth: 107.4 diameter: 3.458 rotational-relaxation: 3.8 - name: CO composition: {C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.59508377, -7.21196937e-04, 1.28238234e-06, 6.52429293e-10, -8.21714806e-13, -1.43448968e+04, 3.44355598] - [3.03397274, 1.37328118e-03, -4.96445087e-07, 8.10281447e-11, -4.85331749e-15, -1.42586044e+04, 6.10076092] transport: model: gas geometry: linear well-depth: 98.1 diameter: 3.65 polarizability: 1.95 rotational-relaxation: 1.8 - name: CO2 composition: {C: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.20664321, 0.0100970086, -9.96338809e-06, 5.47155623e-09, -1.27733965e-12, -4.83529864e+04, 10.5261943] - [4.6353747, 2.74559459e-03, -9.98282389e-07, 1.61013606e-10, -9.22018642e-15, -4.90203677e+04, -1.9288763] transport: model: gas geometry: linear well-depth: 244.0 diameter: 3.763 polarizability: 2.65 rotational-relaxation: 2.1 - name: CH4 composition: {C: 1, H: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.00701913, -0.0126484158, 4.66821073e-05, -4.59210565e-08, 1.57633618e-11, -1.02223522e+04, -4.04227377] - [1.68377091, 0.0100130251, -3.31267639e-06, 5.30233546e-10, -3.1337243e-14, -1.00187792e+04, 9.71477402] transport: model: gas geometry: nonlinear well-depth: 141.4 diameter: 3.746 polarizability: 2.6 rotational-relaxation: 13.0 - name: CH3 composition: {C: 1, H: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.61264389, 3.09209041e-03, 9.25474611e-07, -1.6577677e-09, 6.07243533e-13, 1.63849955e+04, 1.7999478] - [2.92198336, 5.37478625e-03, -1.99748367e-06, 2.97584806e-10, -1.71860088e-14, 1.65446753e+04, 5.25396822] transport: model: gas geometry: linear well-depth: 144.0 diameter: 3.8 - name: CH2 composition: {C: 1, H: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.74842895, 1.07655977e-03, 3.62462012e-06, -4.46165519e-09, 1.95224874e-12, 4.58990472e+04, 1.63509483] - [2.8141299, 3.79513443e-03, -7.38424949e-07, 7.19948955e-11, -2.63188525e-15, 4.61859709e+04, 6.52945537] transport: model: gas geometry: linear well-depth: 144.0 diameter: 3.8 - name: CH2(S) composition: {C: 1, H: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.18489675, -2.16396813e-03, 7.68523621e-06, -5.98243427e-09, 1.67910304e-12, 5.03923371e+04, -0.717772105] - [2.86931299, 3.39756979e-03, -1.00599964e-06, 1.50562822e-10, -8.61237607e-15, 5.06285244e+04, 5.53163503] transport: model: gas geometry: linear well-depth: 144.0 diameter: 3.8 - name: CH composition: {C: 1, H: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.49602032, 2.77423807e-04, -1.57433829e-06, 3.07038632e-09, -1.40468135e-12, 7.06500301e+04, 2.05802158] - [2.74988924, 1.36248089e-03, -2.71161485e-07, 2.47828427e-11, -1.18067699e-15, 7.08999411e+04, 6.13979299] transport: model: gas geometry: linear well-depth: 80.0 diameter: 2.75 - name: C composition: {C: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.55137539, -2.99926279e-04, 6.79034717e-07, -6.7557736e-10, 2.4600078e-13, 8.54693281e+04, 4.54305445] - [2.60607421, -1.96384226e-04, 1.06809851e-07, -1.64080163e-11, 8.15424248e-16, 8.54378446e+04, 4.18935196] transport: model: gas geometry: atom well-depth: 71.4 diameter: 3.298 - name: CH3OH composition: {C: 1, H: 4, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.52796377, -0.0138922182, 6.21715706e-05, -6.82045334e-08, 2.52018995e-11, -2.55968085e+04, -0.715601292] - [3.71775547, 0.0100962072, -3.53785207e-06, 5.61843105e-10, -3.3271439e-14, -2.60222319e+04, 4.04182781] transport: model: gas geometry: nonlinear well-depth: 481.8 diameter: 3.626 rotational-relaxation: 1.0 - name: CH3O composition: {C: 1, H: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.71622806, -2.83500602e-03, 3.77227316e-05, -4.73647579e-08, 1.86739253e-11, 1358.74167, 6.55372649] - [4.75205127, 7.44944105e-03, -2.70076415e-06, 4.38793486e-10, -2.64006093e-14, 444.370836, -1.93362162] transport: model: gas geometry: nonlinear well-depth: 417.0 diameter: 3.69 dipole: 1.7 rotational-relaxation: 2.0 - name: CH2OH composition: {C: 1, H: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 2000.0] data: - [4.40537005, -7.58358412e-04, 2.61926168e-05, -3.463193e-08, 1.40820009e-11, -3442.28423, 3.60691223] - [6.20503849, 2.43665952e-03, 1.94377206e-06, -1.61012603e-09, 3.14355256e-13, -4258.43527, -7.46070911] transport: model: gas geometry: nonlinear well-depth: 417.0 diameter: 3.69 dipole: 1.7 rotational-relaxation: 2.0 - name: CH2O composition: {C: 1, H: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.77187231, -9.76266155e-03, 3.70121918e-05, -3.76921617e-08, 1.31326646e-11, -1.43798106e+04, 0.696585679] - [2.91332516, 6.70039926e-03, -2.55520684e-06, 4.27795142e-10, -2.44072521e-14, -1.44622358e+04, 7.43822875] transport: model: gas geometry: nonlinear well-depth: 498.0 diameter: 3.59 rotational-relaxation: 2.0 - name: HCOH composition: {C: 1, H: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.65733258, -9.53742306e-03, 4.04679152e-05, -4.45317569e-08, 1.64761516e-11, 1.38615127e+04, 1.97860732] - [3.65237205, 5.5580706e-03, -1.97617181e-06, 3.16823378e-10, -1.88747598e-14, 1.35536156e+04, 4.2214084] transport: model: gas geometry: nonlinear well-depth: 498.0 diameter: 3.59 rotational-relaxation: 1.0 - name: HCO composition: {C: 1, H: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.97074749, -1.49121608e-03, 9.54041776e-06, -8.82720349e-09, 2.67645129e-12, 3842.03291, 4.44660361] - [3.85781113, 2.6411395e-03, -7.44177294e-07, 1.2331323e-10, -8.88958718e-15, 3616.42883, 3.92451197] transport: model: gas geometry: nonlinear well-depth: 498.0 diameter: 3.59 - name: HOCO composition: {C: 1, O: 2, H: 1} thermo: model: NASA7 temperature-ranges: [200.0, 998.402, 3000.0] data: - [2.82191157, 9.66218175e-03, -2.78560177e-06, -4.12692493e-09, 2.61472072e-12, -2.35465218e+04, 11.4284719] - [4.63988707, 5.66362726e-03, -2.67855311e-06, 6.17048884e-10, -5.60953531e-14, -2.40527335e+04, 1.90175132] transport: model: gas geometry: nonlinear well-depth: 498.0 diameter: 3.59 rotational-relaxation: 2.0 - name: HOCHO composition: {H: 2, C: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.8983616, -3.5587795e-03, 3.5520538e-05, -4.3849959e-08, 1.7107769e-11, -4.67785744e+04, 7.3495397] - [4.6138316, 6.4496364e-03, -2.2908251e-06, 3.6716047e-10, -2.1873675e-14, -4.5330318e+04, 0.84788383] transport: model: gas geometry: nonlinear well-depth: 481.8 diameter: 3.626 dipole: 1.7 rotational-relaxation: 1.0 - name: OCHO composition: {C: 1, H: 1, O: 2} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [3.62860375, 8.12496033e-03, -1.41560718e-06, -3.27951824e-09, 1.615539e-12, -1.67477889e+04, 7.83169538] - [4.41052368, 7.50888367e-03, -4.25889679e-06, 1.12761124e-09, -1.14144138e-13, -1.70297531e+04, 3.43148293] transport: model: gas geometry: nonlinear well-depth: 498.0 diameter: 3.59 rotational-relaxation: 2.0 - name: HOCH2O composition: {C: 1, H: 3, O: 2} thermo: model: NASA7 temperature-ranges: [298.0, 1000.0, 3000.0] data: - [-1.97308533, 0.0426372227, -5.84444247e-05, 4.12218747e-08, -1.13584932e-11, -2.13827984e+04, 32.8690136] - [3.6414233, 0.0146738744, -8.24143161e-06, 2.24789889e-09, -2.38670785e-13, -2.22304345e+04, 7.15858335] transport: model: gas geometry: nonlinear well-depth: 470.6 diameter: 4.41 rotational-relaxation: 1.5 - name: CH3OOH composition: {C: 1, H: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [2.85836613, 0.0159700646, -2.52104084e-06, -5.73599921e-09, 2.80534675e-12, -1.68829666e+04, 12.8970185] - [4.45931439, 0.0141050786, -6.53177245e-06, 1.47662893e-09, -1.32512049e-13, -1.74300966e+04, 4.03866676] transport: model: gas geometry: nonlinear well-depth: 481.8 diameter: 3.626 rotational-relaxation: 1.0 - name: CH3OO composition: {C: 1, H: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [2.93065328, 8.68504133e-03, 8.80315108e-06, -1.39560866e-08, 5.02939926e-12, 227.483038, 12.8754751] - [2.8842528, 0.014006771, -6.88363514e-06, 1.63789865e-09, -1.5312901e-13, -20.0432571, 11.8152986] transport: model: gas geometry: nonlinear well-depth: 417.0 diameter: 3.69 dipole: 1.7 rotational-relaxation: 2.0 - name: CH2OOH composition: {C: 1, H: 3, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 2500.0] data: - [5.83126679, -3.51771199e-03, 4.54550577e-05, -5.6690332e-08, 2.2163307e-11, 6061.8706, -0.579143222] - [6.98746029, 9.00484259e-03, -3.24366912e-06, 5.24324826e-10, -3.1358708e-14, 5012.57769, -10.261922] transport: model: gas geometry: nonlinear well-depth: 417.0 diameter: 3.69 dipole: 1.7 rotational-relaxation: 2.0 - name: C2H6 composition: {C: 2, H: 6} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.14633324, -4.42384448e-03, 5.70675847e-05, -6.76419283e-08, 2.57224127e-11, -1.15145444e+04, 3.2663585] - [3.97869303, 0.0154586738, -5.37526584e-06, 8.59586664e-10, -5.11297726e-14, -1.24445501e+04, -0.627169623] transport: model: gas geometry: nonlinear well-depth: 252.3 diameter: 4.302 rotational-relaxation: 1.5 - name: C2H5 composition: {C: 2, H: 5} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.11105107, -2.63843875e-03, 4.60475495e-05, -5.64273193e-08, 2.19027735e-11, 1.30013714e+04, 4.99417675] - [4.41716986, 0.0122704143, -4.34557774e-06, 6.94962736e-10, -4.1353076e-14, 1.214679e+04, -0.387435311] transport: model: gas geometry: nonlinear well-depth: 252.3 diameter: 4.302 rotational-relaxation: 1.5 - name: C2H4 composition: {C: 2, H: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.65150713, -5.35067462e-03, 5.16486118e-05, -6.3686893e-08, 2.50743457e-11, 5114.50775, 5.38560851] - [4.1444601, 0.0102648277, -3.61246996e-06, 5.74008727e-10, -3.39295896e-14, 4190.59383, -1.14778318] transport: model: gas geometry: nonlinear well-depth: 280.8 diameter: 3.971 rotational-relaxation: 1.5 - name: C2H3 composition: {C: 2, H: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.12502174, 2.35136801e-03, 2.36803425e-05, -3.35092391e-08, 1.39444106e-11, 3.45243318e+04, 8.81537658] - [4.37211201, 7.4686901e-03, -2.6471557e-06, 4.22753257e-10, -2.44958401e-14, 3.38051964e+04, 0.428771726] transport: model: gas geometry: nonlinear well-depth: 209.0 diameter: 4.1 rotational-relaxation: 1.0 - name: C2H2 composition: {C: 2, H: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [0.626263508, 0.0247263532, -3.89555894e-05, 3.16484975e-08, -9.87351295e-12, 2.64555796e+04, 14.6968104] - [4.6616576, 4.88861739e-03, -1.61257351e-06, 2.48284097e-10, -1.39736824e-14, 2.5769527e+04, -4.01062351] transport: model: gas geometry: linear well-depth: 209.0 diameter: 4.1 rotational-relaxation: 2.5 - name: H2CC composition: {C: 2, H: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.78897979, 5.91794674e-03, -1.08086175e-06, -1.85638085e-09, 1.06887466e-12, 4.81959632e+04, 3.7176633] - [4.47847876, 4.84707787e-03, -1.76213069e-06, 2.92788093e-10, -1.76554272e-14, 4.79490021e+04, -0.0784806167] transport: model: gas geometry: linear well-depth: 209.0 diameter: 4.1 rotational-relaxation: 2.5 - name: C2H composition: {C: 2, H: 1} 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] transport: model: gas geometry: linear well-depth: 209.0 diameter: 4.1 rotational-relaxation: 2.5 - name: C2 composition: {C: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.33654919, 0.035969289, -1.11849524e-04, 1.31762493e-07, -5.29904082e-11, 9.84220606e+04, 9.54586591] - [3.55870014, 7.86412096e-04, -1.25558422e-07, 8.97792994e-12, -1.32453488e-16, 9.889035e+04, 4.18695466] transport: model: gas geometry: linear well-depth: 97.53 diameter: 3.621 polarizability: 1.76 rotational-relaxation: 4.0 - name: CH3CH2OH composition: {C: 2, H: 6, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.8586957, -3.7401726e-03, 6.9555378e-05, -8.8654796e-08, 3.5168835e-11, -2.9996132e+04, 4.8018545] - [6.5624365, 0.015204222, -5.3896795e-06, 8.6225011e-10, -5.1289787e-14, -3.1525621e+04, -9.4730202] transport: model: gas geometry: nonlinear well-depth: 362.6 diameter: 4.53 rotational-relaxation: 1.5 - name: CH3CHOH composition: {C: 2, H: 5, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.2228325, 5.12174798e-03, 3.48386522e-05, -4.91943637e-08, 2.01183723e-11, -8356.22088, 8.016757] - [6.35842302, 0.0124356276, -4.33096839e-06, 6.84530381e-10, -4.03713238e-14, -9530.18581, -6.05106112] transport: model: gas geometry: nonlinear well-depth: 362.6 diameter: 4.53 rotational-relaxation: 1.5 - name: CH3CH2O composition: {C: 2, H: 5, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.26905655, 9.33562904e-03, 2.96317166e-05, -4.53411341e-08, 1.88795595e-11, -2950.22955, 10.4200942] - [6.55053877, 0.0132525511, -4.7472606e-06, 7.64699226e-10, -4.57008357e-14, -4471.91998, -9.61231141] transport: model: gas geometry: nonlinear well-depth: 362.6 diameter: 4.53 rotational-relaxation: 1.5 - name: CH2CH2OH composition: {C: 2, H: 5, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.20954137, 9.12964578e-03, 2.47462263e-05, -3.92945764e-08, 1.66541312e-11, -4915.11371, 8.30445413] - [7.01348674, 0.0120204391, -4.21992012e-06, 6.70675981e-10, -3.97135273e-14, -6161.61779, -8.62052409] transport: model: gas geometry: nonlinear well-depth: 362.6 diameter: 4.53 rotational-relaxation: 1.5 - name: CH3CHO composition: {C: 2, H: 4, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] 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 well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH2CHOH composition: {C: 2, H: 4, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.28758479, 0.0197013262, 1.96382662e-06, -1.94389758e-08, 1.02616778e-11, -1.65373421e+04, 14.1333462] - [7.49818166, 0.0103957, -3.66891058e-06, 5.85205827e-10, -3.47373827e-14, -1.81643092e+04, -13.8388104] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: cC2H4O composition: {C: 2, H: 4, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.7590532, -9.441218e-03, 8.0309721e-05, -1.0080788e-07, 4.0039921e-11, -7560.8143, 7.8497475] - [5.4887641, 0.01204619, -4.3336931e-06, 7.0028311e-10, -4.1949088e-14, -9180.4251, -7.0799605] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CHCHOH composition: {H: 3, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [298.0, 1000.0, 6000.0] data: - [-1.99180555, 0.0473233467, -6.66058794e-05, 4.68997052e-08, -1.30686109e-11, 1.52000823e+04, 31.4259422] - [8.78246275, 5.24796644e-03, -1.71857235e-06, 2.59722068e-10, -1.48227402e-14, 1.28836399e+04, -21.0851258] transport: model: gas geometry: nonlinear well-depth: 224.7 diameter: 4.162 rotational-relaxation: 1.0 - name: cC2H3O composition: {C: 2, H: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.58349017, -6.02275805e-03, 6.32426867e-05, -8.18540707e-08, 3.30444505e-11, 1.85681353e+04, 9.59725926] - [5.60158035, 9.17613962e-03, -3.28028902e-06, 5.27903888e-10, -3.15362241e-14, 1.71446252e+04, -5.47228512] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH2CHO composition: {C: 2, H: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.66873956, 9.62329538e-03, 1.60617438e-05, -2.8768182e-08, 1.25030066e-11, 219.438429, 12.5694476] - [5.91636535, 8.84650426e-03, -3.14954895e-06, 5.05413189e-10, -3.01304621e-14, -1047.79892, -6.10649981] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH3CO composition: {C: 2, H: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.0358705, 8.7729487e-04, 3.071001e-05, -3.9247565e-08, 1.5296869e-11, -2682.0738, 7.8617682] - [5.3137165, 9.1737793e-03, -3.3220386e-06, 5.3947456e-10, -3.2452368e-14, -3645.0414, -1.6757558] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH2CO composition: {C: 2, H: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.13241136, 0.0181319455, -1.74093315e-05, 9.3533604e-09, -2.01724844e-12, -7148.0852, 13.3807969] - [5.75871449, 6.35124053e-03, -2.25955361e-06, 3.62321512e-10, -2.15855515e-14, -8085.33464, -4.96490444] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CHCHO composition: {H: 2, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 3000.0] data: - [2.06863692, 0.0187233234, -1.21318942e-05, -3.33726595e-10, 2.32881768e-12, 2.97393543e+04, 14.7865706] - [5.96287949, 7.99898746e-03, -4.30605647e-06, 1.11076174e-09, -1.11415021e-13, 2.87255915e+04, -5.17392496] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: HCCOH composition: {C: 2, H: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.05541154, 0.0252003372, -3.80821654e-05, 3.09890632e-08, -9.89799902e-12, 9768.72113, 12.2271534] - [6.37509678, 5.49429011e-03, -1.88136576e-06, 2.93803536e-10, -1.71771901e-14, 8932.77676, -8.24498007] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: HCCO composition: {H: 1, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.87607969, 0.0221205418, -3.58869325e-05, 3.05402541e-08, -1.01281069e-11, 2.0163384e+04, 13.696829] - [5.91479333, 3.7140873e-03, -1.3013701e-06, 2.06473345e-10, -1.21476759e-14, 1.93596301e+04, -5.50567269] transport: model: gas geometry: nonlinear well-depth: 150.0 diameter: 2.5 rotational-relaxation: 1.0 - name: C2O composition: {C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.86278214, 0.0119701204, -1.80851222e-05, 1.5277773e-08, -5.20063163e-12, 4.43125964e+04, 8.89759099] - [5.42468378, 1.85393945e-03, -5.17932956e-07, 6.7764623e-11, -3.53315237e-15, 4.37161379e+04, -3.69608405] transport: model: gas geometry: linear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: CH3CH2OOH composition: {C: 2, H: 6, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.14672004, 9.78668137e-03, 4.91492257e-05, -7.42532076e-08, 3.11169441e-11, -2.14671219e+04, 9.84024999] - [9.58691079, 0.0148603589, -5.29787964e-06, 8.47317148e-10, -5.03436325e-14, -2.383679e+04, -22.8310676] transport: model: gas geometry: nonlinear well-depth: 395.0 diameter: 4.037 dipole: 1.3 rotational-relaxation: 1.0 - name: CH3CH2OO composition: {C: 2, H: 5, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.50099327, 6.87965342e-03, 4.74143971e-05, -6.92287127e-08, 2.87395324e-11, -5395.47911, 7.91490068] - [8.88872432, 0.0135833179, -4.91116949e-06, 7.92343362e-10, -4.73525704e-14, -7441.07388, -19.0789836] transport: model: gas geometry: nonlinear well-depth: 395.0 diameter: 4.037 dipole: 1.3 rotational-relaxation: 1.0 - name: CH3CHOOH composition: {C: 2, H: 5, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 999.993, 2500.0] data: - [6.2685379, 1.11351157e-04, 6.15943537e-05, -7.95035384e-08, 3.1233345e-11, 962.571275, -0.180971233] - [9.10837027, 0.0152964186, -5.54863574e-06, 9.02285762e-10, -5.44120016e-14, -932.702959, -20.3914131] transport: model: gas geometry: nonlinear well-depth: 395.0 diameter: 4.037 dipole: 1.3 rotational-relaxation: 1.0 - name: CH2CH2OOH composition: {C: 2, H: 5, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.07456388, 0.0132389561, 2.53758646e-05, -4.38089546e-08, 1.8906154e-11, 3710.63204, 2.72289544] - [9.4137998, 0.0133542122, -4.68067639e-06, 7.43230845e-10, -4.39824231e-14, 1984.59602, -22.4516643] transport: model: gas geometry: nonlinear well-depth: 395.0 diameter: 4.037 dipole: 1.3 rotational-relaxation: 1.0 - name: CH2CHOOH composition: {C: 2, H: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 2000.0] data: - [2.7982099, 0.027437708, -2.0346847e-05, 7.621273e-09, -1.1267055e-12, -6315.5298, 9.1182864] - [2.8251887, 0.027416672, -2.0445609e-05, 7.7739928e-09, -1.186605e-12, -6325.2694, 8.9664101] transport: model: gas geometry: nonlinear well-depth: 395.0 diameter: 4.037 dipole: 1.3 rotational-relaxation: 1.0 - name: HOCH2CH2OO composition: {C: 2, H: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 2500.0] data: - [0.5564182, 0.041251869, -3.1064687e-05, 1.229296e-08, -1.9969071e-12, -2.204739e+04, 24.998308] transport: model: gas geometry: nonlinear well-depth: 395.0 diameter: 4.037 dipole: 1.3 rotational-relaxation: 1.0 - name: CH2CHOO composition: {C: 2, H: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 2000.0] data: - [1.4146113, 0.029754629, -2.5839387e-05, 1.1222085e-08, -1.8678097e-12, 1.1371249e+04, 19.022561] - [1.41603, 0.029933721, -2.6385173e-05, 1.1770709e-08, -2.0511571e-12, 1.1361727e+04, 18.969526] transport: model: gas geometry: nonlinear well-depth: 395.0 diameter: 4.037 dipole: 1.3 rotational-relaxation: 1.0 - name: OCHCHO composition: {H: 2, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.68412461, 4.78012819e-04, 4.26390768e-05, -5.79018239e-08, 2.31669328e-11, -2.71985007e+04, 4.51187184] - [8.72506895, 6.33096819e-03, -2.35574814e-06, 3.89782853e-10, -2.37486912e-14, -2.91024131e+04, -20.3903909] transport: model: gas geometry: nonlinear well-depth: 440.2 diameter: 4.01 rotational-relaxation: 2.0 - name: OCHCO composition: {C: 2, O: 2, H: 1} thermo: model: NASA7 temperature-ranges: [350.0, 1000.0, 2900.0] data: - [3.3940561, 0.014362856, -8.8413766e-06, 1.6096129e-09, 3.2038938e-13, -8684.1442, 10.592041] - [4.9499388, 0.010163032, -5.577201e-06, 1.4572026e-09, -1.4743475e-13, -9096.5061, 2.5798798] transport: model: gas geometry: nonlinear well-depth: 440.2 diameter: 4.01 rotational-relaxation: 2.0 - name: CH3C(O)OOH composition: {C: 2, H: 4, O: 3} thermo: model: NASA7 temperature-ranges: [298.0, 1000.0, 3000.0] data: - [1.43747508, 0.0339384339, -2.25467319e-05, 5.77205354e-09, 1.28451673e-13, -4.40701023e+04, 19.8194302] - [5.64132391, 0.0217230931, -1.11238026e-05, 2.75682193e-09, -2.67754066e-13, -4.51408748e+04, -1.611724] transport: model: gas geometry: nonlinear well-depth: 395.0 diameter: 4.037 dipole: 1.3 rotational-relaxation: 1.0 - name: CH3C(O)OO composition: {C: 2, H: 3, O: 3} thermo: model: NASA7 temperature-ranges: [298.0, 1000.0, 3000.0] data: - [2.12837736, 0.0294919132, -2.00221362e-05, 5.32494396e-09, 3.03452421e-14, -2.12033645e+04, 18.0451737] - [5.76603946, 0.0188598136, -9.95181008e-06, 2.52994204e-09, -2.50541483e-13, -2.21268244e+04, -0.484080352] transport: model: gas geometry: nonlinear well-depth: 435.5 diameter: 4.86 rotational-relaxation: 1.0 - name: CH3C(O)O composition: {C: 2, H: 3, O: 2} thermo: model: NASA7 temperature-ranges: [298.0, 1000.0, 3000.0] data: - [1.3001617, 0.0237699204, -1.23328477e-05, 5.87354833e-11, 1.44736765e-12, -2.44337929e+04, 20.8501841] - [4.15456832, 0.0168674623, -8.75191344e-06, 2.18661448e-09, -2.13394222e-13, -2.52304326e+04, 5.95052997] transport: model: gas geometry: nonlinear well-depth: 395.0 diameter: 4.037 dipole: 1.3 rotational-relaxation: 1.0 - name: NO composition: {N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.0851799, -3.64693188e-03, 8.49607612e-06, -6.62405734e-09, 1.77647373e-12, 9840.61267, 2.83578236] - [3.25487317, 1.19869941e-03, -4.330285e-07, 7.02943336e-11, -4.09788575e-15, 9906.99836, 6.4039514] transport: model: gas geometry: linear well-depth: 139.32 diameter: 3.339 dipole: 0.2 polarizability: 1.76 rotational-relaxation: 4.0 - name: HCN composition: {C: 1, H: 1, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.1057167, 0.0111841419, -1.62402411e-05, 1.31663215e-08, -4.17254301e-12, 1.45427041e+04, 9.55501287] - [3.79525127, 3.16330147e-03, -1.07316905e-06, 1.67851828e-10, -9.83948026e-15, 1.42249758e+04, 1.61357326] transport: model: gas geometry: linear well-depth: 569.0 diameter: 3.63 rotational-relaxation: 1.0 - name: NH3 composition: {H: 3, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 4000.0] data: - [4.14027871, -3.58489142e-03, 1.89475904e-05, -1.9883397e-08, 7.15267961e-12, -6685.45158, -0.0166754883] - [2.36074311, 6.31850146e-03, -2.28966806e-06, 4.11767411e-10, -2.90836787e-14, -6415.96473, 8.02154329] transport: model: gas geometry: nonlinear well-depth: 481.0 diameter: 2.92 dipole: 1.47 rotational-relaxation: 10.0 - name: NH2 composition: {H: 2, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 3000.0] data: - [4.06463329, -1.10021454e-03, 4.25849068e-06, -2.68223583e-09, 5.89267407e-13, 2.11768668e+04, 0.43985077] - [2.62499312, 3.39841177e-03, -1.01630968e-06, 1.25510796e-10, -2.66500843e-15, 2.15419104e+04, 7.73537416] transport: model: gas geometry: nonlinear well-depth: 80.0 diameter: 2.65 polarizability: 2.26 rotational-relaxation: 4.0 - name: NH composition: {H: 1, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.45887003, 4.93904408e-04, -1.8786256e-06, 2.85542239e-09, -1.16864671e-12, 4.21088372e+04, 2.00373292] - [2.79498941, 1.29259567e-03, -3.85559094e-07, 6.26027608e-11, -3.70421913e-15, 4.23408998e+04, 5.68413752] transport: model: gas geometry: linear well-depth: 80.0 diameter: 2.65 rotational-relaxation: 4.0 - name: N composition: {N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.49976643, 5.02149594e-07, 1.93091211e-09, -4.94632629e-12, 2.74089506e-15, 5.6076071e+04, 4.19499326] - [2.41604245, 1.74663766e-04, -1.18864562e-07, 3.01850054e-11, -2.03260159e-15, 5.61051512e+04, 4.64905706] transport: model: gas geometry: atom well-depth: 71.4 diameter: 3.298 - name: NNH composition: {N: 2, H: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.25474632, -3.45098298e-03, 1.37788699e-05, -1.33263744e-08, 4.41023397e-12, 2.88323793e+04, 3.28551762] - [3.42744423, 3.23295234e-03, -1.17296299e-06, 1.90508356e-10, -1.14491506e-14, 2.8806774e+04, 6.39209233] transport: model: gas geometry: nonlinear well-depth: 71.4 diameter: 3.798 rotational-relaxation: 1.0 - name: N2H4 composition: {N: 2, H: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.83472149, -6.49129555e-04, 3.76848463e-05, -5.00709182e-08, 2.03362064e-11, 1.00893925e+04, 5.7527203] - [4.93957357, 8.75017187e-03, -2.99399058e-06, 4.67278418e-10, -2.73068599e-14, 9282.65548, -2.69439772] transport: model: gas geometry: nonlinear well-depth: 205.0 diameter: 4.23 polarizability: 4.26 rotational-relaxation: 1.5 - name: N2H3 composition: {N: 2, H: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.42125505, 1.3490159e-03, 2.23459071e-05, -2.99727732e-08, 1.2097897e-11, 2.58198956e+04, 7.83176309] - [4.04483566, 7.31130186e-03, -2.47625799e-06, 3.83733021e-10, -2.23107573e-14, 2.5324142e+04, 2.88423392] transport: model: gas geometry: nonlinear well-depth: 200.0 diameter: 3.9 rotational-relaxation: 1.0 - name: N2H2 composition: {N: 2, H: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.91066031, -0.010779188, 3.86516489e-05, -3.86501698e-08, 1.34852134e-11, 2.28241901e+04, 0.0910273396] - [1.31115117, 9.00187208e-03, -3.14911824e-06, 4.81449581e-10, -2.71897891e-14, 2.33863341e+04, 16.4091067] transport: model: gas geometry: nonlinear well-depth: 71.4 diameter: 3.798 rotational-relaxation: 1.0 - name: H2NN composition: {N: 2, H: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.53204001, -7.32418578e-03, 3.00803713e-05, -3.04000551e-08, 1.04700639e-11, 3.49580003e+04, 1.51074195] - [3.0590367, 6.18382347e-03, -2.22171165e-06, 3.58539206e-10, -2.14532905e-14, 3.48530149e+04, 6.69893515] transport: model: gas geometry: nonlinear well-depth: 71.4 diameter: 3.798 rotational-relaxation: 1.0 - name: NH2OH composition: {N: 1, H: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.21016092, 6.19671676e-03, 1.10594948e-05, -1.96668262e-08, 8.8251659e-12, -6581.48481, 7.93293571] - [3.88112502, 8.15708448e-03, -2.82615576e-06, 4.37930933e-10, -2.52724604e-14, -6860.18419, 3.79156136] transport: model: gas geometry: nonlinear well-depth: 116.7 diameter: 3.492 rotational-relaxation: 1.0 - name: H2NO composition: {N: 1, H: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.93201139, -1.64028165e-04, 1.39161409e-05, -1.62747853e-08, 6.00352834e-12, 6711.78975, 4.58837038] - [3.75555914, 5.16219354e-03, -1.76387387e-06, 2.75052692e-10, -1.60643143e-14, 6518.26177, 4.30933053] transport: model: gas geometry: nonlinear well-depth: 116.7 diameter: 3.492 rotational-relaxation: 1.0 - name: HNOH composition: {H: 2, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.95608248, -3.0261102e-03, 2.56874396e-05, -3.1564512e-08, 1.24084574e-11, 1.0919979e+04, 5.55950983] - [3.98321933, 4.88846374e-03, -1.65086637e-06, 2.55371446e-10, -1.48308561e-14, 1.05780106e+04, 3.62582838] transport: model: gas geometry: nonlinear well-depth: 116.7 diameter: 3.492 rotational-relaxation: 1.0 - name: HNO composition: {H: 1, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.5532616, -5.84531688e-03, 1.88853744e-05, -1.76039893e-08, 5.72889621e-12, 1.16315603e+04, 1.66850841] - [3.24129053, 2.72377193e-03, -1.60633296e-07, -9.79134982e-11, 1.17103944e-14, 1.17745744e+04, 7.27913637] transport: model: gas geometry: nonlinear well-depth: 170.0 diameter: 3.43 dipole: 1.62 rotational-relaxation: 1.0 - name: HON composition: {H: 1, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.1527245, -3.87826402e-03, 2.05476031e-05, -2.49049483e-08, 9.87365462e-12, 2.46037098e+04, 4.56636321] - [4.12044656, 2.28738122e-03, -7.14685362e-07, 1.03332384e-10, -5.704841e-15, 2.43643963e+04, 3.38857665] transport: model: gas geometry: nonlinear well-depth: 116.7 diameter: 3.492 rotational-relaxation: 1.0 - name: NO2 composition: {N: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.78712696, -4.29576834e-04, 1.37383818e-05, -1.7426414e-08, 6.71249644e-12, 2895.00124, 6.96592162] - [4.90482285, 2.14474498e-03, -8.12654059e-07, 1.55511957e-10, -1.04113963e-14, 2289.58979, -0.233567018] transport: model: gas geometry: nonlinear well-depth: 333.59 diameter: 3.852 dipole: 0.4 rotational-relaxation: 1.0 - name: HONO composition: {H: 1, N: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.16416438, 8.50517773e-03, 5.48561573e-07, -8.27656474e-09, 4.39957151e-12, -1.07744086e+04, 10.0231941] - [5.79144641, 3.64630732e-03, -1.29112765e-06, 2.06498233e-10, -1.22138679e-14, -1.15974343e+04, -4.07145349] transport: model: gas geometry: nonlinear well-depth: 350.0 diameter: 3.95 dipole: 1.639 rotational-relaxation: 1.0 - name: HNO2 composition: {H: 1, N: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.03779347, -4.46123109e-03, 3.19440815e-05, -3.7935949e-08, 1.44570885e-11, -6530.88236, 5.90620097] - [4.66358504, 4.89854351e-03, -1.79694193e-06, 2.94420361e-10, -1.78235577e-14, -7252.16334, -0.030605364] transport: model: gas geometry: nonlinear well-depth: 350.0 diameter: 3.95 dipole: 1.639 rotational-relaxation: 1.0 - name: NO3 composition: {N: 1, O: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.3558685, 0.0106545436, -2.86690494e-06, -5.14711611e-09, 3.08532286e-12, 7475.34931, 8.94786516] - [7.37569146, 2.21733003e-03, -5.75695789e-07, 6.69775424e-11, -2.589347e-15, 6224.45577, -12.4945323] transport: model: gas geometry: nonlinear well-depth: 400.0 diameter: 4.2 dipole: 0.2 rotational-relaxation: 1.0 - name: HONO2 composition: {H: 1, N: 1, O: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.55975056, 0.0201502169, -1.15217296e-05, -2.3189123e-09, 3.17580552e-12, -1.73955871e+04, 17.7294677] - [8.03061257, 4.46368336e-03, -1.72272779e-06, 2.91611606e-10, -1.80487362e-14, -1.93033764e+04, -16.2543421] transport: model: gas geometry: nonlinear well-depth: 400.0 diameter: 4.2 dipole: 0.2 rotational-relaxation: 1.0 - name: N2O composition: {N: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.1394229, 0.0121800874, -1.59189415e-05, 1.20920039e-08, -3.85125915e-12, 8870.08622, 11.2477534] - [4.80641382, 2.65307443e-03, -9.70797397e-07, 1.6259015e-10, -9.96738154e-15, 8197.98219, -2.10607801] transport: model: gas geometry: linear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: HNC composition: {C: 1, H: 1, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.36665269, 0.0149943353, -3.03605651e-05, 2.99845678e-08, -1.09094949e-11, 2.19807517e+04, 7.87287988] - [4.17272154, 2.66569898e-03, -8.9230015e-07, 1.37331005e-10, -7.95545718e-15, 2.17977474e+04, 0.215196203] transport: model: gas geometry: linear well-depth: 569.0 diameter: 3.63 rotational-relaxation: 1.0 - name: CN composition: {C: 1, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.62920077, -1.07172764e-03, 2.42398215e-06, -5.85516328e-10, -3.75364456e-13, 5.18668474e+04, 3.91231279] - [3.73483746, 5.83996018e-05, 2.90443997e-07, -6.7440381e-11, 4.33381923e-15, 5.17018679e+04, 2.8516257] transport: model: gas geometry: linear well-depth: 75.0 diameter: 3.856 rotational-relaxation: 1.0 - name: HNCO composition: {H: 1, N: 1, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.24009031, 0.0145600497, -1.5435233e-05, 8.55535028e-09, -1.79631611e-12, -1.54589951e+04, 12.1663775] - [5.30045051, 4.02250821e-03, -1.4096228e-06, 2.23855342e-10, -1.32499966e-14, -1.61995274e+04, -3.11770684] transport: model: gas geometry: nonlinear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: HOCN composition: {H: 1, N: 1, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.88943546, 0.0116487242, -1.08005006e-05, 5.44138776e-09, -1.06857286e-12, -3152.96691, 9.51295652] - [5.28767714, 4.01746511e-03, -1.40407465e-06, 2.22562614e-10, -1.31562375e-14, -3774.09807, -2.64470976] transport: model: gas geometry: nonlinear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: HCNO composition: {H: 1, N: 1, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [0.607949401, 0.0282182431, -4.60451618e-05, 3.82559486e-08, -1.23226501e-11, 1.90714209e+04, 16.9199098] - [5.91979744, 4.001146e-03, -1.42063343e-06, 2.27569621e-10, -1.3550487e-14, 1.80385534e+04, -8.26935223] transport: model: gas geometry: nonlinear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: NCO composition: {N: 1, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.77405177, 9.24523481e-03, -9.91773586e-06, 6.68461303e-09, -2.09520542e-12, 1.4236957e+04, 9.7545867] - [5.08064474, 2.37443587e-03, -9.07098904e-07, 1.52286713e-10, -9.31009234e-15, 1.35781204e+04, -2.15734434] transport: model: gas geometry: linear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: NCN composition: {C: 1, N: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.00703195, 8.38874126e-03, -6.90466542e-06, 2.84868816e-09, -5.74273041e-13, 5.30044793e+04, 7.78171011] - [5.65711708, 1.64211333e-03, -6.37923438e-07, 1.11209213e-10, -6.9932841e-15, 5.22097079e+04, -6.1404995] transport: model: gas geometry: linear well-depth: 422.22 diameter: 5.329 dipole: 2.0 rotational-relaxation: 1.0 - name: HNCN composition: {C: 1, H: 1, N: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.06754311, 0.0106789939, -7.96224305e-06, 2.5988339e-09, -1.27057612e-13, 3.66623508e+04, 9.41074995] - [5.53846448, 3.89054126e-03, -1.38104752e-06, 2.21294765e-10, -1.31827325e-14, 3.59635337e+04, -3.39587098] transport: model: gas geometry: linear well-depth: 422.22 diameter: 5.329 dipole: 2.0 rotational-relaxation: 1.0 - name: NCNO composition: {C: 1, O: 1, N: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 3000.0] data: - [3.9983346, 8.03718093e-06, -1.56383867e-08, 1.20479659e-11, -3.24908996e-15, 3.09870621e+04, 8.56707356] - [3.99574293, 7.96025626e-06, -5.76602969e-09, 1.80395948e-12, -2.0884688e-16, 3.09883543e+04, 8.58277153] transport: model: gas geometry: nonlinear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: NCNOH composition: {H: 1, C: 1, O: 1, N: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 3000.0] data: - [3.45317867, 4.03550194e-03, 1.32583822e-06, -6.69960685e-09, 3.4251565e-12, 2.52609685e+04, 10.7521087] - [4.69841132, 2.16546382e-03, -1.81441347e-06, 5.49591459e-10, -5.89846481e-14, 2.48820341e+04, 4.04514611] transport: model: gas geometry: nonlinear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: HNCNH composition: {C: 1, H: 2, N: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1500.0, 4000.0] data: - [1.001985, 0.02464016, -2.75977e-05, 1.532472e-08, -3.26828e-12, 1.679368e+04, 16.94325] - [8.374143, 2.366143e-03, -3.502324e-07, -4.391102e-11, 1.096859e-14, 1.461088e+04, -21.07393] transport: model: gas geometry: linear well-depth: 422.22 diameter: 5.329 dipole: 2.0 rotational-relaxation: 1.0 - name: NCCN composition: {C: 2, N: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.32928126, 0.0261540993, -4.90009889e-05, 4.61923035e-08, -1.64325831e-11, 3.56900732e+04, 9.86348075] - [6.7054952, 3.64271185e-03, -1.30939702e-06, 2.16421413e-10, -1.31193815e-14, 3.48824335e+04, -10.4803146] transport: model: gas geometry: linear well-depth: 349.0 diameter: 4.361 rotational-relaxation: 1.0 - name: CH3NO composition: {C: 1, H: 3, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.18534727, -6.34085575e-03, 4.57171139e-05, -5.30421813e-08, 1.99501601e-11, 6937.71506, 2.18492659] - [5.04711802, 9.21544305e-03, -3.29034831e-06, 5.28940397e-10, -3.15689858e-14, 6237.18102, -0.77439557] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH2NO composition: {H: 2, C: 1, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.8781858, -6.6530886e-03, 5.394761e-05, -6.8176813e-08, 2.7181746e-11, 2.5716857e+04, 7.4618774] - [5.4028152, 6.9057001e-03, -2.5162977e-06, 4.1014066e-10, -2.47183e-14, 2.452869e+04, -4.4574262] transport: model: gas geometry: nonlinear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: C2H5NO composition: {C: 2, H: 5, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [350.0, 1000.0, 3000.0] data: - [1.1950305, 0.028461203, -1.061926e-05, -3.1252611e-09, 2.4705957e-12, 3551.6159, 20.649205] - [3.2231341, 0.025156438, -1.2873587e-05, 3.1852738e-09, -3.0895042e-13, 2905.6127, 9.6628646] transport: model: gas geometry: linear well-depth: 252.0 diameter: 4.76 rotational-relaxation: 1.0 - name: CH3CHNO composition: {C: 2, H: 4, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [350.0, 1000.0, 3000.0] data: - [1.9222825, 0.024433726, -9.4902429e-06, -2.4039831e-09, 2.0547696e-12, 1.2313554e+04, 16.927344] - [3.7475482, 0.021279652, -1.0979616e-05, 2.7359216e-09, -2.6695384e-13, 1.1741152e+04, 7.0847455] transport: model: gas geometry: linear well-depth: 252.0 diameter: 4.76 rotational-relaxation: 1.0 - name: CH2CHNO composition: {C: 2, H: 3, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [350.0, 1000.0, 3000.0] data: - [0.78213381, 0.028625095, -2.145111e-05, 7.4094437e-09, -7.109503e-13, 1.854777e+04, 21.023516] - [4.4874076, 0.017018159, -8.8619463e-06, 2.2308272e-09, -2.1983603e-13, 1.7646007e+04, 2.3441725] transport: model: gas geometry: nonlinear well-depth: 357.0 diameter: 5.176 rotational-relaxation: 1.0 - name: CHCHNO composition: {C: 2, H: 2, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [350.0, 1000.0, 3000.0] data: - [1.6676729, 0.027998607, -2.8641596e-05, 1.5355456e-08, -3.3167395e-12, 4.8995965e+04, 17.191648] - [5.9152904, 0.012104998, -6.4464741e-06, 1.6555687e-09, -1.659829e-13, 4.8091598e+04, -3.5748661] transport: model: gas geometry: linear well-depth: 357.0 diameter: 5.18 rotational-relaxation: 1.0 - name: CH3NO2 composition: {C: 1, H: 3, N: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.54053638, 1.86559899e-03, 4.4494658e-05, -5.87057133e-08, 2.30684496e-11, -1.11385976e+04, 10.6884657] - [6.73034758, 0.0109601272, -4.05357875e-06, 6.67102246e-10, -4.04686823e-14, -1.29143475e+04, -10.1800883] transport: model: gas geometry: nonlinear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: CH2NO2 composition: {C: 1, H: 2, N: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.42742248, 0.0160496442, 2.84727836e-06, -1.82218429e-08, 9.35383557e-12, 1.40120587e+04, 16.1086425] - [7.57504807, 7.01471036e-03, -2.51481162e-06, 4.0567055e-10, -2.42796598e-14, 1.2388008e+04, -11.5985589] transport: model: gas geometry: nonlinear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: C2H5NO2 composition: {C: 2, H: 5, N: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.43720206, 8.25501813e-03, 5.01013815e-05, -7.12335325e-08, 2.88207797e-11, -1.49913491e+04, 9.09921108] - [9.29092218, 0.016124154, -5.95122756e-06, 9.76015021e-10, -5.90147816e-14, -1.73718622e+04, -21.1218316] transport: model: gas geometry: nonlinear well-depth: 503.0722 diameter: 5.34 dipole: 1.67 polarizability: 8.88 rotational-relaxation: 1.0 - name: CH2CH2NO2 composition: {C: 2, H: 4, N: 1, O: 2} thermo: model: NASA7 temperature-ranges: [350.0, 1000.0, 3000.0] data: - [1.1981474, 0.038371155, -3.0390851e-05, 1.1768081e-08, -1.5711767e-12, 1.1332882e+04, 22.140517] - [6.2184105, 0.022024026, -1.1471041e-05, 2.8887966e-09, -2.8483642e-13, 1.0142133e+04, -3.0128314] transport: model: gas geometry: nonlinear well-depth: 503.0722 diameter: 5.34 dipole: 1.67 polarizability: 8.88 rotational-relaxation: 1.0 - name: CH3CHNO2 composition: {C: 2, H: 4, N: 1, O: 2} thermo: model: NASA7 temperature-ranges: [350.0, 1000.0, 3000.0] data: - [0.94831102, 0.03734304, -2.6534288e-05, 7.9224985e-09, -3.2205809e-13, 5946.3796, 23.821053] - [5.7540282, 0.022907291, -1.2061343e-05, 3.0609884e-09, -3.0346044e-13, 4745.8801, -0.56053426] transport: model: gas geometry: nonlinear well-depth: 503.0722 diameter: 5.34 dipole: 1.67 polarizability: 8.88 rotational-relaxation: 1.0 - name: CH3ONO composition: {C: 1, H: 3, O: 2, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [6.15261387, -2.91937431e-03, 4.14526828e-05, -4.93954776e-08, 1.85608328e-11, -9852.60262, 0.80405719] - [6.93605239, 9.97319424e-03, -3.60642537e-06, 5.83462161e-10, -3.50058729e-14, -1.08381899e+04, -6.98144573] transport: model: gas geometry: nonlinear well-depth: 232.4 diameter: 3.828 rotational-relaxation: 1.0 - name: CH3ONO2 composition: {C: 1, H: 3, N: 1, O: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.91363583, 0.0152137945, 1.73479131e-05, -3.37074473e-08, 1.44322204e-11, -1.66103232e+04, 9.44208392] - [9.77845489, 0.0110069541, -4.25928645e-06, 7.18198185e-10, -4.42041793e-14, -1.88804487e+04, -23.9163197] transport: model: gas geometry: nonlinear well-depth: 459.5 diameter: 5.036 dipole: 1.7 rotational-relaxation: 1.0 - name: CH3CH2ONO composition: {C: 2, H: 5, N: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.37137598, 0.0137914267, 3.84687528e-05, -6.02380553e-08, 2.49654782e-11, -1.40198744e+04, 15.8650733] - [9.21849299, 0.0162001532, -5.98159944e-06, 9.81277173e-10, -5.9345553e-14, -1.65544389e+04, -18.8591687] transport: model: gas geometry: nonlinear well-depth: 503.0722524 diameter: 5.339941638 dipole: 1.67 polarizability: 8.88 rotational-relaxation: 1.0 - name: CH3CH2ONO2 composition: {C: 2, H: 5, N: 1, O: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.75721604, 0.0193623098, 3.87534117e-05, -6.6408953e-08, 2.82505579e-11, -2.08444383e+04, 11.181324] - [12.1360953, 0.0170091385, -6.43739515e-06, 1.0721988e-09, -6.5495092e-14, -2.4190207e+04, -37.1640527] transport: model: gas geometry: nonlinear well-depth: 496.0 diameter: 5.2 rotational-relaxation: 1.0 - name: CH3NH2 composition: {C: 1, H: 5, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.65718252, -7.37953092e-03, 5.45297099e-05, -6.24993857e-08, 2.33761829e-11, -3760.7334, 1.63875112] - [3.78609899, 0.012696957, -4.46778553e-06, 7.11021516e-10, -4.21332621e-14, -4381.0006, 1.86268606] transport: model: gas geometry: nonlinear well-depth: 481.8 diameter: 3.626 rotational-relaxation: 1.0 - name: CH2NH2 composition: {C: 1, H: 4, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.85538164, 7.27364238e-03, 1.65712636e-05, -2.70976978e-08, 1.16327939e-11, 1.66165986e+04, 10.2444521] - [4.55329728, 9.42002581e-03, -3.20781399e-06, 4.98961894e-10, -2.90872284e-14, 1.58717284e+04, -0.0245945234] transport: model: gas geometry: nonlinear well-depth: 481.8 diameter: 3.626 rotational-relaxation: 1.0 - name: CH3NH composition: {C: 1, H: 4, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.70973738, -7.31946952e-03, 4.95105509e-05, -5.7279048e-08, 2.16523586e-11, 2.00619432e+04, 1.85460205] - [4.0224438, 0.0103512061, -3.64560169e-06, 5.80491587e-10, -3.44103829e-14, 1.95050854e+04, 1.64483768] transport: model: gas geometry: nonlinear well-depth: 481.8 diameter: 3.626 rotational-relaxation: 1.0 - name: CH2NH composition: {H: 3, C: 1, N: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1577.0, 5000.0] data: - [2.8184951, 5.11983235e-03, 6.38887146e-06, -6.61374671e-09, 1.6553194e-12, 9884.42597, 10.3390629] - [4.54737795, 7.17720948e-03, -2.47935299e-06, 3.87692351e-10, -2.26113075e-14, 8640.56516, -1.16687427] transport: model: gas geometry: nonlinear well-depth: 417.0 diameter: 3.69 dipole: 1.7 rotational-relaxation: 2.0 - name: H2CN composition: {C: 1, H: 2, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.97799555, -3.43275801e-03, 2.5913426e-05, -3.04692171e-08, 1.16272717e-11, 2.74854081e+04, 4.43067396] - [3.80315578, 5.47197362e-03, -1.95314875e-06, 3.13362403e-10, -1.86249384e-14, 2.71302747e+04, 3.31759436] transport: model: gas geometry: linear well-depth: 569.0 diameter: 3.63 rotational-relaxation: 1.0 - name: HCNH composition: {C: 1, H: 2, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.97114555, -3.88875724e-03, 2.9291895e-05, -3.57482411e-08, 1.40303911e-11, 3.15789298e+04, 5.06388721] - [4.040147, 5.16591694e-03, -1.82276828e-06, 2.90299053e-10, -1.71614589e-14, 3.11540211e+04, 2.58894095] transport: model: gas geometry: linear well-depth: 569.0 diameter: 3.63 rotational-relaxation: 1.0 - name: CH3CH2NH2 composition: {C: 2, H: 7, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [0.644080211, 0.03148668, -1.71052145e-05, 3.57315578e-09, 1.95649123e-13, -7471.20329, 21.3696162] - [2.82804839, 0.0253750154, -1.18740298e-05, 2.7099074e-09, -2.44590811e-13, -8039.20733, 10.1771802] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH2CH2NH2 composition: {C: 2, H: 6, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [1.25928611, 0.0301867188, -2.18268895e-05, 8.94596797e-09, -1.52898422e-12, 1.76669906e+04, 19.6477011] - [4.10302792, 0.0203084588, -9.25456057e-06, 2.06112265e-09, -1.81949714e-13, 1.70234069e+04, 5.55411391] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH3CHNH2 composition: {C: 2, H: 6, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [1.64074549, 0.028582681, -1.89468825e-05, 6.72949839e-09, -9.0817429e-13, 1.25155453e+04, 17.4881147] - [4.08789216, 0.0205227724, -9.45003681e-06, 2.1269461e-09, -1.89705755e-13, 1.19396821e+04, 5.24987703] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH3CH2NH composition: {C: 2, H: 6, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [1.92365746, 0.0238729244, -7.86534966e-06, -2.71981984e-09, 1.8990223e-12, 1.69129077e+04, 16.7827743] - [3.09795233, 0.0224757903, -1.07197166e-05, 2.48313682e-09, -2.26728211e-13, 1.65130465e+04, 10.292469] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH2CHNH2 composition: {C: 2, H: 5, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [-0.710306111, 0.0374245041, -3.66191425e-05, 1.98714291e-08, -4.41925018e-12, 3580.17455, 25.7562499] - [4.59217082, 0.0172595719, -7.93920737e-06, 1.79644782e-09, -1.6174872e-13, 2467.43039, -0.0863800108] transport: model: gas geometry: nonlinear well-depth: 303.4 diameter: 4.81 rotational-relaxation: 1.0 - name: CH3CHNH composition: {C: 2, H: 5, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [2.24230513, 0.0146071399, 8.25386853e-06, -1.56259103e-08, 5.70541553e-12, 4797.00805, 14.5453734] - [1.99419246, 0.0212775413, -1.02686597e-05, 2.4003926e-09, -2.20647891e-13, 4562.73305, 14.3228859] transport: model: gas geometry: nonlinear well-depth: 303.4 diameter: 4.81 rotational-relaxation: 1.0 - name: CH2CHNH composition: {C: 2, H: 4, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [-0.168729357, 0.0291658096, -2.24159711e-05, 8.51021434e-09, -1.0913846e-12, 2.35637699e+04, 24.4877151] - [3.67015758, 0.0167405872, -8.17362541e-06, 1.94564254e-09, -1.82822975e-13, 2.26494763e+04, 5.23472336] transport: model: gas geometry: nonlinear well-depth: 307.8 diameter: 4.14 rotational-relaxation: 1.0 - name: CH2CNH2 composition: {C: 2, H: 4, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [2.01233456, 0.0256068048, -2.42450966e-05, 1.3918246e-08, -3.46136416e-12, 3.07776754e+04, 15.0699688] - [4.21874005, 0.0156980617, -7.75730038e-06, 1.84326074e-09, -1.71837565e-13, 3.03905504e+04, 4.69611801] transport: model: gas geometry: nonlinear well-depth: 307.8 diameter: 4.14 rotational-relaxation: 1.0 - name: CH3CNH composition: {C: 2, H: 4, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [2.23655533, 0.0158044545, 1.22158661e-06, -9.86660781e-09, 4.14654507e-12, 2.55853994e+04, 15.0701642] - [3.29670257, 0.0169750507, -8.65108533e-06, 2.1263586e-09, -2.04492818e-13, 2.51028107e+04, 8.6027703] transport: model: gas geometry: nonlinear well-depth: 307.8 diameter: 4.14 rotational-relaxation: 1.0 - name: CH3CHN composition: {C: 2, H: 4, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [2.81409484, 0.0132950847, 3.53300166e-06, -9.87941013e-09, 3.74396969e-12, 2.25556092e+04, 12.3157119] - [2.67758316, 0.0176421637, -8.68916543e-06, 2.06973359e-09, -1.93574323e-13, 2.23928599e+04, 12.0240438] transport: model: gas geometry: nonlinear well-depth: 307.8 diameter: 4.14 rotational-relaxation: 1.0 - name: CHCHNH2 composition: {C: 2, H: 4, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [0.583297823, 0.0310085354, -3.08423467e-05, 1.72290892e-08, -3.96982789e-12, 3.62945134e+04, 20.6174831] - [4.77534564, 0.0146041683, -6.78153232e-06, 1.55237043e-09, -1.41604244e-13, 3.54379126e+04, 0.302319529] transport: model: gas geometry: nonlinear well-depth: 307.8 diameter: 4.14 rotational-relaxation: 1.0 - name: CH3CN composition: {C: 2, H: 3, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.82392803, 4.08201943e-03, 2.16209537e-05, -2.89807789e-08, 1.129627e-11, 7444.30382, 5.52656156] - [5.09921882, 9.69585649e-03, -3.48051966e-06, 5.61420173e-10, -3.35835856e-14, 6609.67324, -3.36087178] transport: model: gas geometry: nonlinear well-depth: 422.22 diameter: 5.329 dipole: 3.5 rotational-relaxation: 1.0 - name: CHCNH2 composition: {C: 2, H: 3, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [1.34809615, 0.0260893264, -3.14511691e-05, 2.11896099e-08, -5.70652625e-12, 2.66214983e+04, 14.8874428] - [4.67245309, 0.010498991, -4.62630454e-06, 1.01345924e-09, -8.92616681e-14, 2.60712723e+04, -0.577430843] transport: model: gas geometry: nonlinear well-depth: 260.0 diameter: 4.85 rotational-relaxation: 1.0 - name: CH2CNH composition: {C: 2, H: 3, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [0.674453393, 0.0266535164, -2.72825709e-05, 1.5742621e-08, -3.75989891e-12, 2.13203089e+04, 19.3644542] - [4.08696039, 0.0127930769, -6.17629436e-06, 1.46135849e-09, -1.36980402e-13, 2.06483281e+04, 2.9536834] transport: model: gas geometry: nonlinear well-depth: 260.0 diameter: 4.85 rotational-relaxation: 1.0 - name: CH2CHN composition: {C: 2, H: 3, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [0.385114887, 0.0263155652, -2.31525336e-05, 1.0791724e-08, -1.99497769e-12, 4.18855625e+04, 22.3684056] - [4.14453572, 0.0131731672, -6.28186453e-06, 1.43989655e-09, -1.30842159e-13, 4.10389141e+04, 3.75755189] transport: model: gas geometry: nonlinear well-depth: 260.0 diameter: 4.85 rotational-relaxation: 1.0 - name: CH2CHN(S) composition: {C: 2, H: 3, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [0.385114887, 0.0263155652, -2.31525336e-05, 1.0791724e-08, -1.99497769e-12, 4.94340048e+04, 22.3684056] - [4.14453572, 0.0131731672, -6.28186453e-06, 1.43989655e-09, -1.30842159e-13, 4.85873563e+04, 3.75755189] transport: model: gas geometry: nonlinear well-depth: 260.0 diameter: 4.85 rotational-relaxation: 1.0 - name: c-C2H3N composition: {C: 2, H: 3, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [0.0828524446, 0.0220080656, -1.21834261e-05, 1.00059353e-09, 1.01529601e-12, 3.13995593e+04, 23.0893128] - [2.80979324, 0.0150201816, -7.58141908e-06, 1.85246807e-09, -1.77642437e-13, 3.06581771e+04, 8.95343001] transport: model: gas geometry: nonlinear well-depth: 260.0 diameter: 4.85 rotational-relaxation: 1.0 - name: CH2CN composition: {C: 2, H: 2, N: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.63064017, 0.0173644377, -1.70284117e-05, 9.8655114e-09, -2.46033517e-12, 2.95791691e+04, 11.2776223] - [6.1487362, 6.0660024e-03, -2.1717462e-06, 3.49750387e-10, -2.09004207e-14, 2.86491222e+04, -6.59235995] transport: model: gas geometry: nonlinear well-depth: 422.22 diameter: 5.329 dipole: 3.5 rotational-relaxation: 1.0 - name: CHCNH composition: {C: 2, H: 2, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [2.87300918, 0.0198561384, -2.41519574e-05, 1.60558556e-08, -4.26087659e-12, 4.58537821e+04, 9.34467032] - [5.5466262, 7.65157744e-03, -3.57997666e-06, 8.311089e-10, -7.71666875e-14, 4.53945633e+04, -3.17646312] transport: model: gas geometry: linear well-depth: 252.0 diameter: 4.76 rotational-relaxation: 1.0 - name: H2NCHO composition: {C: 1, H: 3, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.1795247, 1.9458999e-03, 3.43329627e-05, -4.64825836e-08, 1.8726812e-11, -2.405804e+04, 9.94755425] - [4.9369466, 9.60834089e-03, -3.32934933e-06, 5.16597902e-10, -2.99203362e-14, -2.50910273e+04, -2.00078185] transport: model: gas geometry: nonlinear well-depth: 307.8 diameter: 4.14 rotational-relaxation: 1.0 - name: H2NCO composition: {C: 1, H: 2, N: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.53640094, 9.73407134e-03, -3.87292847e-07, -5.90128176e-09, 3.01181866e-12, -3096.23872, 8.47952204] - [5.69169331, 6.08717989e-03, -2.09433522e-06, 3.28448737e-10, -1.9270389e-14, -3810.28606, -3.22710215] transport: model: gas geometry: nonlinear well-depth: 307.8 diameter: 4.14 rotational-relaxation: 1.0 - name: CH3NHCH3 composition: {C: 2, H: 7, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [1.2288238, 0.0260430675, -4.95078244e-06, -6.74954202e-09, 3.27738931e-12, -3768.1339, 18.4832422] - [2.13913083, 0.0268643078, -1.28763453e-05, 2.99663495e-09, -2.74772023e-13, -4173.31872, 12.9759199] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH3NHCH2 composition: {C: 2, H: 6, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [1.7140186, 0.0275573004, -1.61309839e-05, 4.10455384e-09, -8.07562261e-14, 1.66255449e+04, 16.3770009] - [3.95751097, 0.0209452232, -9.75570653e-06, 2.21626118e-09, -1.99156129e-13, 1.60587518e+04, 4.96297406] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH3NCH3 composition: {C: 2, H: 6, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [3.61164557, 9.06653308e-03, 2.2749215e-05, -2.78391712e-08, 9.27266651e-12, 1.73063845e+04, 11.2643356] - [1.54968373, 0.0247836253, -1.20302906e-05, 2.81641066e-09, -2.58540173e-13, 1.73453147e+04, 19.3447983] transport: model: gas geometry: nonlinear well-depth: 436.0 diameter: 3.97 rotational-relaxation: 2.0 - name: CH3NCH2 composition: {C: 2, H: 5, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [2.12431227, 0.016164164, 4.57770566e-06, -1.21159798e-08, 4.53506389e-12, 7335.41892, 14.5091874] - [1.7409627, 0.0220935014, -1.09102093e-05, 2.60523608e-09, -2.44224882e-13, 7192.29187, 15.2596427] transport: model: gas geometry: nonlinear well-depth: 303.4 diameter: 4.81 rotational-relaxation: 1.0 - name: CH2NCH2 composition: {C: 2, H: 4, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [0.869061323, 0.0252857715, -1.51435611e-05, 3.01037347e-09, 3.70026806e-13, 2.57781726e+04, 19.1043579] - [3.32004739, 0.0185256567, -9.56913297e-06, 2.33791748e-09, -2.22816553e-13, 2.51357839e+04, 6.5188096] transport: model: gas geometry: nonlinear well-depth: 307.8 diameter: 4.14 rotational-relaxation: 1.0 - name: CH3NCH composition: {C: 2, H: 4, N: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 3000.0] data: - [2.23655533, 0.0158044545, 1.22158661e-06, -9.86660781e-09, 4.14654507e-12, 2.55853994e+04, 15.0701642] - [3.29670257, 0.0169750507, -8.65108533e-06, 2.1263586e-09, -2.04492818e-13, 2.51028107e+04, 8.6027703] transport: model: gas geometry: nonlinear well-depth: 307.8 diameter: 4.14 rotational-relaxation: 1.0 - name: AR composition: {Ar: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.49988611, 2.1303796e-07, 8.97320772e-10, -2.31395752e-12, 1.30201393e-15, -745.354481, 4.38024367] - [2.49989176, 1.56134837e-07, -7.76108557e-11, 1.52928085e-14, -1.05304493e-18, -745.328403, 4.38029835] transport: model: gas geometry: atom well-depth: 136.5 diameter: 3.33 - name: HE composition: {He: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.49976293, 1.01013432e-06, -8.24578465e-10, -6.85983306e-13, 7.24751856e-16, -745.340917, 0.929800315] - [2.49985609, 2.19365392e-07, -1.07525085e-10, 2.07198041e-14, -1.39358612e-18, -745.309155, 0.929535014] transport: model: gas geometry: atom well-depth: 10.2 diameter: 2.576 - name: N2 composition: {N: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.53603521, -1.58270944e-04, -4.26984251e-07, 2.3754259e-09, -1.39708206e-12, -1047.49645, 2.94603724] - [2.9380297, 1.4183803e-03, -5.03281045e-07, 8.07555464e-11, -4.76064275e-15, -917.18099, 5.95521985] transport: model: gas geometry: linear well-depth: 97.53 diameter: 3.621 polarizability: 1.76 rotational-relaxation: 4.0 - name: HF composition: {F: 1, H: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.48137108, 2.12245717e-04, -6.86359044e-07, 8.56185857e-10, -2.34581508e-13, -3.38607305e+04, 1.0257999] - [2.92491143, 8.50523032e-04, -1.58179777e-07, 1.17507204e-11, -1.43309132e-16, -3.36352481e+04, 4.19018883] transport: model: gas geometry: linear well-depth: 330.0 diameter: 3.148 dipole: 1.92 polarizability: 2.46 rotational-relaxation: 1.0 - name: F composition: {F: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.4196743, 2.9392909e-03, -8.9212228e-06, 9.9118537e-09, -3.7947152e-12, 8757.322, 4.7468987] - [2.6716339, -1.7461853e-04, 6.9066504e-08, -1.1953478e-11, 7.5236739e-16, 8787.4123, 3.9842568] transport: model: gas geometry: atom well-depth: 80.0 diameter: 2.75 - name: F2 composition: {F: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.20832415, 1.25919179e-03, 3.89747979e-06, -7.22184984e-09, 3.31837862e-12, -1034.25794, 5.61903603] - [3.86166219, 7.88367679e-04, -1.8198294e-07, -9.1743656e-12, 2.65193472e-15, -1232.38655, 2.04119869] transport: model: gas geometry: linear well-depth: 125.7 diameter: 3.301 polarizability: 1.6 rotational-relaxation: 3.8 - name: CH3F composition: {C: 1, H: 3, F: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.03514272, -0.0146119198, 6.06479225e-05, -6.60649862e-08, 2.42867162e-11, -2.9597328e+04, 0.308070101] - [3.31348457, 8.5918343e-03, -3.07886159e-06, 4.96069542e-10, -2.9651466e-14, -3.0012276e+04, 4.75257452] transport: model: gas geometry: nonlinear well-depth: 262.0 diameter: 4.123 dipole: 1.8 - name: CH2F2 composition: {C: 1, H: 2, F: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.25023157, -6.84861262e-03, 4.85583334e-05, -5.83442752e-08, 2.24503933e-11, -5.56073052e+04, 5.76716418] - [5.06948195, 7.23193135e-03, -2.64021025e-06, 4.30854708e-10, -2.59873096e-14, -5.65991527e+04, -2.34590394] transport: model: gas geometry: nonlinear well-depth: 318.0 diameter: 4.08 dipole: 1.8 - name: CHF3 composition: {C: 1, H: 1, F: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.73539203, 8.72478957e-03, 1.7482151e-05, -3.2150475e-08, 1.41694928e-11, -8.51820557e+04, 12.4879863] - [7.24609031, 5.42386441e-03, -2.02314394e-06, 3.34946402e-10, -2.04067524e-14, -8.68239019e+04, -12.8982398] transport: model: gas geometry: nonlinear well-depth: 240.0 diameter: 4.33 rotational-relaxation: 1.0 - name: CF4 composition: {C: 1, F: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.05119594, 0.0278318369, -2.46683439e-05, 6.75882532e-09, 9.14850873e-13, -1.13574198e+05, 18.1936795] - [9.47336526, 3.59407743e-03, -1.40334012e-06, 2.39113889e-10, -1.48513407e-14, -1.15816621e+05, -24.9736848] transport: model: gas geometry: nonlinear well-depth: 265.57 diameter: 4.35 - name: CH2F composition: {C: 1, H: 2, F: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.7812393, -4.49840351e-04, 1.8835814e-05, -2.40702692e-08, 9.53477519e-12, -4885.00871, 5.56895443] - [4.11283513, 5.00104452e-03, -1.74095833e-06, 2.75007611e-10, -1.62099637e-14, -5259.24503, 2.38852694] transport: model: gas geometry: nonlinear well-depth: 276.7 diameter: 4.15 dipole: 1.8 - name: CHF2 composition: {C: 1, H: 1, F: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.12220872, -2.33706659e-03, 2.99282606e-05, -3.88422961e-08, 1.55352879e-11, -3.05990045e+04, 7.22245467] - [5.5232112, 4.21970092e-03, -1.58435294e-06, 2.63969157e-10, -1.61337618e-14, -3.14404682e+04, -2.40335469] transport: model: gas geometry: nonlinear well-depth: 288.2 diameter: 4.29 dipole: 1.8 - name: CF3 composition: {C: 1, F: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.38179059, 0.0137269527, -3.47674937e-06, -9.01697393e-09, 5.57384083e-12, -5.76871035e+04, 14.3743316] - [7.42981696, 2.61728694e-03, -1.02141596e-06, 1.73975666e-10, -1.08028191e-14, -5.91795501e+04, -12.2816891] transport: model: gas geometry: nonlinear well-depth: 297.2 diameter: 4.45 rotational-relaxation: 1.0 - name: CHF composition: {C: 1, H: 1, F: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.42272584, -5.60196198e-03, 2.21848969e-05, -2.39634368e-08, 8.91306513e-12, 1.66515542e+04, 2.54111183] - [2.0941528, 5.34934017e-03, -1.69762943e-06, 2.19446141e-10, -1.00205977e-14, 1.72042147e+04, 13.786096] transport: model: gas geometry: nonlinear well-depth: 276.0 diameter: 4.14 dipole: 1.8 - name: CF2 composition: {C: 1, F: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.56435487, 1.23021056e-03, 1.39909866e-05, -2.13708286e-08, 9.10710807e-12, -2.45418819e+04, 7.83907808] - [5.35787718, 1.80622418e-03, -7.80465045e-07, 1.47642691e-10, -9.44754424e-15, -2.52559006e+04, -2.63410779] transport: model: gas geometry: nonlinear well-depth: 287.6 diameter: 4.28 rotational-relaxation: 1.0 - name: CF composition: {C: 1, F: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.99598712, -4.62546013e-03, 1.58270762e-05, -1.7352841e-08, 6.45553921e-12, 2.8604521e+04, 3.6705497] - [3.74644062, 8.01632001e-04, -2.95064248e-07, 5.03803598e-11, -3.08738254e-15, 2.84554882e+04, 3.84191679] transport: model: gas geometry: linear well-depth: 94.2 diameter: 3.635 rotational-relaxation: 1.0 - name: CF3O composition: {C: 1, F: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.82041152, 0.0265327204, -2.45066904e-05, 7.86171828e-09, 2.73540764e-13, -7.73780958e+04, 16.8621895] - [9.76423201, 3.30092424e-03, -1.28961521e-06, 2.19815579e-10, -1.36560199e-14, -7.94771282e+04, -23.7694198] transport: model: gas geometry: nonlinear well-depth: 304.5 diameter: 4.6 - name: CF2O composition: {C: 1, O: 1, F: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.12979433, 0.0141019782, -5.94383395e-06, -5.30542094e-09, 3.97366263e-12, -7.41637142e+04, 15.1109046] - [6.81631709, 3.16473302e-03, -1.21776278e-06, 2.05582278e-10, -1.26893138e-14, -7.55374518e+04, -9.52865117] transport: model: gas geometry: nonlinear well-depth: 350.5 diameter: 4.906 - name: CHFO composition: {C: 1, O: 1, F: 1, H: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.74246307, -1.31011108e-03, 2.46792673e-05, -3.12953787e-08, 1.22624735e-11, -4.72269701e+04, 7.89719615] - [4.78813214, 4.7665022e-03, -1.74367126e-06, 2.84956025e-10, -1.72050907e-14, -4.79424476e+04, 0.351967468] transport: model: gas geometry: nonlinear well-depth: 286.5 diameter: 4.27 - name: CFO composition: {F: 1, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.37992233, 4.19050548e-03, 2.12353533e-06, -6.20586665e-09, 2.85352218e-12, -2.240632e+04, 9.39466699] - [5.01565891, 1.95763376e-03, -7.49685297e-07, 1.25610155e-10, -7.59885072e-15, -2.29785255e+04, 0.369669039] transport: model: gas geometry: nonlinear well-depth: 285.9 diameter: 4.26 - name: CH3-CH2F composition: {C: 2, H: 5, F: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.00577312, -3.11043983e-04, 5.57188865e-05, -7.28404563e-08, 2.90642195e-11, -3.43213851e+04, 7.92813391] - [6.18081698, 0.0135890229, -4.87040213e-06, 7.84862029e-10, -4.69209214e-14, -3.58341343e+04, -7.96594699] transport: model: gas geometry: nonlinear well-depth: 312.2 diameter: 4.583 dipole: 2.0 - name: CH3-CHF2 composition: {C: 2, F: 2, H: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.25212905, 0.011871759, 2.57923969e-05, -4.29488908e-08, 1.82237758e-11, -6.22767756e+04, 11.1051557] - [7.67995887, 0.0122243125, -4.3757353e-06, 7.04756402e-10, -4.21223621e-14, -6.40850702e+04, -14.7344376] transport: model: gas geometry: nonlinear well-depth: 323.4 diameter: 4.798 dipole: 2.3 - name: CH3-CF3 composition: {C: 2, H: 3, F: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.75260632, 0.0304395701, -1.49788607e-05, -5.70775683e-09, 5.66225345e-12, -9.24091835e+04, 16.2401353] - [10.0540918, 0.01025159, -3.70172133e-06, 5.99863654e-10, -3.6011746e-14, -9.48129775e+04, -27.2330585] transport: model: gas geometry: nonlinear well-depth: 289.1 diameter: 4.911 dipole: 2.3 - name: CH2F-CH2F composition: {C: 2, H: 4, F: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.58943786, -0.0113537115, 9.78443079e-05, -1.2211088e-07, 4.76646013e-11, -5.56834525e+04, 2.61081947] - [10.031571, 0.0111994308, -4.26519119e-06, 7.11447245e-10, -4.35028559e-14, -5.85296182e+04, -28.5864919] transport: model: gas geometry: nonlinear well-depth: 312.2 diameter: 4.583 dipole: 2.0 - name: CH2F-CHF2 composition: {C: 2, H: 3, F: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1100.0, 3000.0] data: - [0.6473759, 0.036292494, -3.11432e-05, 1.4464592e-08, -3.0120967e-12, -8.19413424e+04, 23.295333] - [9.2726485, 0.012040181, -4.8605999e-06, 8.8656689e-10, -5.9650602e-14, -8.43982994e+04, -21.387996] transport: model: gas geometry: nonlinear well-depth: 323.4 diameter: 4.798 dipole: 2.3 - name: CH2F-CF3 composition: {C: 2, H: 2, F: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.29239681, 0.0303108483, -5.33713985e-06, -2.19456612e-08, 1.29970288e-11, -1.11354002e+05, 16.2830568] - [12.5551115, 8.40186071e-03, -3.12077291e-06, 5.12284572e-10, -3.10110291e-14, -1.1440989e+05, -38.0374329] transport: model: gas geometry: nonlinear well-depth: 323.4 diameter: 4.85 dipole: 2.3 - name: CHF2-CHF2 composition: {C: 2, H: 2, F: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.98924014, 0.0172571738, 2.36853869e-05, -4.891427e-08, 2.21225708e-11, -1.0801861e+05, 9.12364634] - [11.9960865, 8.98721146e-03, -3.36363101e-06, 5.54000254e-10, -3.35654907e-14, -1.10809976e+05, -35.3416069] transport: model: gas geometry: nonlinear well-depth: 323.4 diameter: 4.85 dipole: 2.0 - name: CHF2-CF3 composition: {C: 2, H: 1, F: 5} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.56680624, 0.0363877723, -1.93606756e-05, -9.02362714e-09, 8.52266342e-12, -1.36273767e+05, 15.6968804] - [14.5281312, 6.80984691e-03, -2.67132939e-06, 4.54433791e-10, -2.81433657e-14, -1.39668599e+05, -46.7174252] transport: model: gas geometry: nonlinear well-depth: 265.77 diameter: 4.6831 dipole: 1.5 - name: CF3-CF3 composition: {C: 2, F: 6} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.56503771, 0.0510909623, -5.07167534e-05, 1.88993955e-08, -7.73770882e-13, -1.64148368e+05, 18.955643] - [17.0284831, 4.64174937e-03, -1.92155485e-06, 3.37538839e-10, -2.13452416e-14, -1.68162295e+05, -59.8112608] transport: model: gas geometry: nonlinear well-depth: 231.8 diameter: 4.969 - name: CH3-CHF composition: {C: 2, H: 4, F: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.74843909, 5.09114984e-04, 3.62637445e-05, -4.54978044e-08, 1.75184149e-11, -1.05832291e+04, 4.50273732] - [5.75331333, 0.0111537753, -3.96206053e-06, 6.34664198e-10, -3.77832181e-14, -1.15237093e+04, -3.95888581] transport: model: gas geometry: nonlinear well-depth: 285.9 diameter: 4.26 dipole: 2.0 - name: CH3-CF2 composition: {C: 2, H: 3, F: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1150.0, 3000.0] data: - [2.3142186, 0.02370183, -1.6389184e-05, 5.7257237e-09, -8.072959e-13, -3.74727734e+04, 15.358357] - [6.4772061, 0.012487615, -5.3578191e-06, 1.0304861e-09, -7.2450865e-14, -3.86798594e+04, -6.3195346] transport: model: gas geometry: nonlinear well-depth: 295.3 diameter: 4.41 dipole: 2.3 - name: CH2F-CH2 composition: {C: 2, H: 4, F: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.38588734, 4.44184913e-03, 2.81593156e-05, -3.89282386e-08, 1.56055864e-11, -8871.71985, 6.28370097] - [6.17560952, 0.0107042948, -3.78369889e-06, 6.04072338e-10, -3.5877902e-14, -9899.77825, -5.6372712] transport: model: gas geometry: nonlinear well-depth: 285.9 diameter: 4.26 dipole: 2.0 - name: CH2F-CHF composition: {C: 2, H: 3, F: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1250.0, 3000.0] data: - [2.2898344, 0.025577305, -1.9912795e-05, 7.5880439e-09, -1.1237829e-12, -3.14764727e+04, 15.431326] - [8.721451, 8.6815505e-03, -3.542291e-06, 6.6313495e-10, -4.4742292e-14, -3.34060307e+04, -18.251835] transport: model: gas geometry: nonlinear well-depth: 295.3 diameter: 4.41 dipole: 2.0 - name: CH2F-CF2 composition: {C: 2, H: 2, F: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1150.0, 3000.0] data: - [2.0900802, 0.029390131, -2.5553336e-05, 1.1710794e-08, -2.311293e-12, -5.5373132e+04, 17.813614] - [8.8702445, 0.010089497, -4.3915564e-06, 8.5758186e-10, -6.1164127e-14, -5.7295496e+04, -17.248955] transport: model: gas geometry: nonlinear well-depth: 303.6 diameter: 4.58 dipole: 2.3 - name: CHF2-CH2 composition: {C: 2, H: 3, F: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1100.0, 3000.0] data: - [1.2123746, 0.02995282, -2.7809679e-05, 1.4586627e-08, -3.3536338e-12, -3.54757375e+04, 21.112708] - [6.7982556, 0.012130852, -5.287142e-06, 1.0362364e-09, -7.4087387e-14, -3.69269815e+04, -7.216092] transport: model: gas geometry: nonlinear well-depth: 295.3 diameter: 4.21 dipole: 2.3 - name: CHF2-CHF composition: {C: 2, H: 2, F: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1250.0, 3000.0] data: - [1.8136794, 0.032776675, -3.2420504e-05, 1.6831319e-08, -3.6002411e-12, -5.6094627e+04, 18.591066] - [9.424563, 9.3845534e-03, -4.0694952e-06, 7.9548881e-10, -5.6874376e-14, -5.816603e+04, -20.313155] transport: model: gas geometry: nonlinear well-depth: 303.6 diameter: 4.58 dipole: 2.3 - name: CHF2-CF2 composition: {C: 2, H: 1, F: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1250.0, 3000.0] data: - [3.0303759, 0.031363562, -2.9518978e-05, 1.3983874e-08, -2.7124342e-12, -8.2031363e+04, 14.088813] - [11.627462, 7.1020241e-03, -3.0321751e-06, 5.8031013e-10, -4.0595926e-14, -8.4517281e+04, -30.486515] transport: model: gas geometry: nonlinear well-depth: 312.3 diameter: 4.76 dipole: 2.0 - name: CF3-CH2 composition: {C: 2, H: 2, F: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1150.0, 3000.0] data: - [0.71700835, 0.040531459, -4.7864066e-05, 2.9440811e-08, -7.3125849e-12, -6.51420629e+04, 22.103248] - [9.5879571, 9.2998799e-03, -4.0774688e-06, 8.0571741e-10, -5.8185489e-14, -6.72872509e+04, -22.107686] transport: model: gas geometry: nonlinear well-depth: 303.6 diameter: 4.58 dipole: 2.3 - name: CF3-CHF composition: {C: 2, H: 1, F: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1250.0, 3000.0] data: - [2.1777569, 0.037699208, -4.1607296e-05, 2.3110573e-08, -5.1391529e-12, -8.61215759e+04, 17.267626] - [11.753063, 7.1311773e-03, -3.1225055e-06, 6.153008e-10, -4.4414594e-14, -8.86441929e+04, -31.333337] transport: model: gas geometry: nonlinear well-depth: 312.3 diameter: 4.76 dipole: 2.3 - name: CF3-CF2 composition: {C: 2, F: 5} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.35961717, 0.0406759536, -3.97029086e-05, 1.42583579e-08, -3.10091084e-13, -1.10281694e+05, 17.074878] - [14.557551, 4.16794014e-03, -1.72789494e-06, 3.02375137e-10, -1.9042373e-14, -1.13453173e+05, -45.0857249] transport: model: gas geometry: nonlinear well-depth: 323.3 diameter: 4.96 dipole: 1.5 - name: CH2CHF composition: {C: 2, H: 3, F: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.61149895, 6.68683582e-03, 2.76818258e-05, -4.33824699e-08, 1.85254269e-11, -1.84326315e+04, 12.6328255] - [5.92787061, 8.89384427e-03, -3.17971566e-06, 5.11681548e-10, -3.05632459e-14, -1.98276668e+04, -7.04448245] transport: model: gas geometry: nonlinear well-depth: 272.2 diameter: 4.322 dipole: 1.4 - name: CH2CF2 composition: {C: 2, H: 2, F: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.28301801, 0.0231903824, -9.70095198e-06, -4.40973912e-09, 3.38826355e-12, -4.35424071e+04, 18.2378552] - [8.95189658, 7.14641061e-03, -2.79505418e-06, 4.7743902e-10, -2.97191427e-14, -4.60294637e+04, -22.920422] transport: model: gas geometry: nonlinear well-depth: 251.5 diameter: 4.442 dipole: 1.4 - name: CHFCHF[Z] composition: {C: 2, H: 2, F: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.69825023, 0.0123878271, 1.53768601e-05, -3.23557844e-08, 1.47696831e-11, -3.82972358e+04, 12.8259603] - [7.64662972, 7.55622756e-03, -2.74600447e-06, 4.4689091e-10, -2.69075698e-14, -4.00302113e+04, -14.6982798] transport: model: gas geometry: nonlinear well-depth: 251.5 diameter: 4.442 dipole: 1.4 - name: CHFCF2 composition: {C: 2, H: 1, F: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.00354119, 0.0274140646, -2.30032301e-05, 7.09389407e-09, 1.96148641e-13, -6.0300036e+04, 16.5697402] - [9.56303811, 6.03922396e-03, -2.24656246e-06, 3.71316848e-10, -2.25981353e-14, -6.23666082e+04, -22.357362] transport: model: gas geometry: nonlinear well-depth: 303.1 diameter: 4.57 dipole: 1.4 - name: CF2CF2 composition: {C: 2, F: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.99308667, 0.0384734406, -5.32322754e-05, 3.9212272e-08, -1.19302747e-11, -8.30021485e+04, 15.3134111] - [11.4178412, 4.59161071e-03, -1.77520928e-06, 3.00598731e-10, -1.8592126e-14, -8.52927617e+04, -31.6445526] transport: model: gas geometry: nonlinear well-depth: 254.2 diameter: 4.647 - name: CH2CF composition: {C: 2, H: 2, F: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1050.0, 3000.0] data: - [0.93664567, 0.023455005, -2.6099122e-05, 1.6833431e-08, -4.6658292e-12, 1.2014041e+04, 19.594667] - [5.9366687, 6.5440923e-03, -2.3741343e-06, 3.8223533e-10, -2.2535997e-14, 1.0745181e+04, -5.5730445] transport: model: gas geometry: nonlinear well-depth: 284.7 diameter: 4.24 dipole: 1.4 - name: CHFCH[Z] composition: {C: 2, H: 2, F: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1050.0, 3000.0] data: - [0.44420192, 0.026606878, -3.1480981e-05, 2.0535551e-08, -5.5252516e-12, 1.3722215e+04, 21.66891] - [5.2720505, 8.1754708e-03, -3.467378e-06, 6.4788558e-10, -4.3922904e-14, 1.2647789e+04, -1.9972542] transport: model: gas geometry: nonlinear well-depth: 284.7 diameter: 4.24 dipole: 1.4 - name: CHFCF[Z] composition: {C: 2, H: 1, F: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1050.0, 3000.0] data: - [1.4830603, 0.025289629, -2.8989928e-05, 1.8356855e-08, -4.9865919e-12, -6275.0421, 18.76819] - [7.7264612, 5.002954e-03, -1.861308e-06, 3.1199442e-10, -1.9536071e-14, -7900.3013, -12.864265] transport: model: gas geometry: nonlinear well-depth: 294.3 diameter: 4.39 dipole: 1.4 - name: CF2CH composition: {C: 2, H: 1, F: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1050.0, 3000.0] data: - [0.64712617, 0.031659599, -4.1452904e-05, 2.8609364e-08, -8.0609769e-12, -9438.539, 21.799374] - [7.4110309, 6.4817026e-03, -3.0631409e-06, 6.2562526e-10, -4.5512604e-14, -1.1017369e+04, -11.617089] transport: model: gas geometry: nonlinear well-depth: 294.3 diameter: 4.39 dipole: 1.4 - name: CF2CF composition: {C: 2, F: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.4146424, 0.0268291562, -3.39283388e-05, 2.31906358e-08, -6.71131007e-12, -2.90990246e+04, 15.3576825] - [9.28002368, 3.72628116e-03, -1.44027826e-06, 2.43838247e-10, -1.50793717e-14, -3.08448687e+04, -19.2329718] transport: model: gas geometry: nonlinear well-depth: 302.7 diameter: 4.56 dipole: 1.4 - name: C2HF composition: {C: 2, H: 1, F: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.30649331, 0.0277924488, -4.86268691e-05, 4.25956865e-08, -1.42675759e-11, 1.12860035e+04, 13.9346815] - [6.20949775, 3.69584855e-03, -1.29973578e-06, 2.0683094e-10, -1.22578311e-14, 1.04017383e+04, -8.93525071] transport: model: gas geometry: linear well-depth: 225.0 diameter: 4.25 dipole: 1.0 - name: C2F2 composition: {C: 2, F: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.21917369, 0.0174654857, -2.90187341e-05, 2.55812733e-08, -8.81243821e-12, -1150.82175, 2.68488791] - [7.53993696, 2.756551e-03, -1.01925304e-06, 1.67696082e-10, -1.01706808e-14, -1857.33725, -13.2743125] transport: model: gas geometry: linear well-depth: 240.0 diameter: 4.4 - name: CHFCO composition: {C: 2, H: 1, F: 1, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1050.0, 3000.0] data: - [1.9623675, 0.022507519, -2.5638947e-05, 1.679169e-08, -4.7348234e-12, -1.9104027e+04, 15.674252] - [6.7776435, 6.2335944e-03, -2.55958e-06, 4.7531383e-10, -3.2595082e-14, -2.0336925e+04, -8.5911299] transport: model: gas geometry: nonlinear well-depth: 292.9 diameter: 4.37 - name: CF2CO composition: {C: 2, F: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1050.0, 3000.0] data: - [3.4054339, 0.022694311, -2.803526e-05, 1.9124705e-08, -5.5121984e-12, -3.6737327e+04, 9.6487236] - [8.8684122, 4.2627717e-03, -1.7381349e-06, 3.1228667e-10, -2.0426586e-14, -3.8145628e+04, -17.907486] transport: model: gas geometry: nonlinear well-depth: 301.3 diameter: 4.53 - name: CFCO composition: {C: 2, F: 1, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1050.0, 3000.0] data: - [3.7594179, 0.014231997, -1.6010254e-05, 9.8885732e-09, -2.6613184e-12, 6674.725, 8.1859183] - [7.3033099, 2.9793943e-03, -1.305825e-06, 2.5407405e-10, -1.8103465e-14, 5735.565, -9.8434103] transport: model: gas geometry: nonlinear well-depth: 292.4 diameter: 4.36 - name: C3F7H composition: {C: 3, H: 1, F: 7} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.19381844, 0.056435821, -4.24435538e-05, 6.01422805e-09, 4.21730731e-12, -1.91302556e+05, 14.797014] - [20.3195617, 0.0104618873, -3.9935161e-06, 6.70976809e-10, -4.12886922e-14, -1.9607048e+05, -73.9087817] transport: model: gas geometry: nonlinear well-depth: 380.2 diameter: 5.62 - name: C3F7 composition: {C: 3, F: 7} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.14241614, 0.060344307, -6.17598017e-05, 2.7937958e-08, -4.02551172e-12, -1.65147364e+05, 16.6897624] - [20.5301132, 7.60062764e-03, -2.96491015e-06, 5.04882378e-10, -3.13452721e-14, -1.69702083e+05, -71.928143] transport: model: gas geometry: nonlinear well-depth: 378.5 diameter: 5.6 - name: C3F6 composition: {C: 3, F: 6} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.35781302, 0.0580498289, -6.67557556e-05, 3.68109988e-08, -7.92990472e-12, -1.41947032e+05, 16.8586208] - [18.7296098, 5.74055067e-03, -2.31302367e-06, 4.01017749e-10, -2.51741915e-14, -1.46123551e+05, -65.9853551] transport: model: gas geometry: nonlinear well-depth: 351.9 diameter: 5.35 - name: C3F7O2 composition: {C: 3, F: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [1.641474, 0.08751624, -1.100224e-04, 7.25182e-08, -2.041578e-11, -1.828074e+05, 22.5219] - [17.87408, 0.0237351, -1.367114e-05, 3.718392e-09, -3.930683e-13, -1.860711e+05, -56.07585] transport: model: gas geometry: nonlinear well-depth: 445.4 diameter: 6.08 - name: C3F7O composition: {C: 3, F: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [1.136218, 0.0733659, -7.413762e-05, 3.256982e-08, -4.255755e-12, -1.823545e+05, 24.13339] - [22.87185, 7.640052e-03, -1.657346e-06, -2.941549e-10, 1.035168e-13, -1.880432e+05, -86.66051] transport: model: gas geometry: nonlinear well-depth: 408.1 diameter: 5.84 - name: C3F6O composition: {C: 3, F: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [2.60628, 0.07231953, -1.005112e-04, 7.052793e-08, -1.995183e-11, -1.713574e+05, 14.82562] - [17.04561, 0.01455861, -8.8123e-06, 2.462951e-09, -2.613377e-13, -1.744044e+05, -55.24056] transport: model: gas geometry: nonlinear well-depth: 373.7 diameter: 5.56 - name: C3F7OH composition: {C: 3, F: 7, O: 1, H: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [1.429132, 0.08909125, -1.141049e-04, 7.694099e-08, -2.212097e-11, -2.159364e+05, 19.18044] - [16.96278, 0.02565773, -1.513042e-05, 4.192663e-09, -4.490027e-13, -2.188921e+05, -55.34448] transport: model: gas geometry: nonlinear well-depth: 410.2 diameter: 5.85 - name: CF3COF composition: {C: 2, F: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [1.769974, 0.04245083, -5.069665e-05, 3.111379e-08, -7.895977e-12, -1.25711631e+05, 20.18299] - [10.06273, 0.0121434, -7.263414e-06, 2.01144e-09, -2.118963e-13, -1.27589631e+05, -20.73074] transport: model: gas geometry: nonlinear well-depth: 321.2 diameter: 4.93 - name: CF3CO composition: {C: 2, F: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [-7.058443, 0.1041643, -2.377523e-04, 2.500676e-07, -9.594719e-11, -7.32842611e+04, 49.50205] - [8.27366, 9.456556e-03, -5.544948e-06, 1.509502e-09, -1.566714e-13, -7.56835411e+04, -18.89926] transport: model: gas geometry: nonlinear well-depth: 354.4 diameter: 4.87 - name: CF3CHO composition: {C: 2, F: 3, H: 1, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [2.986401, 0.028195, -2.091598e-05, 5.048025e-09, 6.02563e-13, -9.52619146e+04, 13.74664] - [8.047711, 0.01377502, -7.751215e-06, 2.053101e-09, -2.090976e-13, -9.65904246e+04, -12.17682] transport: model: gas geometry: nonlinear well-depth: 310.8 diameter: 4.73 - name: CF3CHCH2 composition: {H: 3, C: 3, F: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.5683482, 0.0370715693, -1.66534622e-05, -1.15669918e-08, 9.46282072e-12, -7.78570098e+04, 19.2579065] - [12.2166309, 0.0111177411, -4.07566929e-06, 6.63454514e-10, -3.98729557e-14, -8.08780489e+04, -36.3340348] transport: model: gas geometry: nonlinear well-depth: 335.0 diameter: 4.7 - name: CF3CCH2 composition: {H: 2, C: 3, F: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.34293581, 0.0437082126, -4.41291023e-05, 1.98066011e-08, -2.52757681e-12, -4.70859152e+04, 20.2494155] - [12.5859962, 8.12317961e-03, -2.95982852e-06, 4.80631726e-10, -2.89086264e-14, -4.99277916e+04, -36.5971752] transport: model: gas geometry: nonlinear well-depth: 333.0 diameter: 4.7 dipole: 2.444 polarizability: 6.006 - name: CF3CHCH composition: {C: 3, H: 2, F: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [0.681987133, 0.0469264463, -4.86400872e-05, 2.20469507e-08, -2.75414626e-12, -4.72313621e+04, 22.9560885] - [12.7774168, 7.93163451e-03, -2.88750413e-06, 4.67651599e-10, -2.80481227e-14, -5.02306417e+04, -37.9660841] transport: model: gas geometry: nonlinear well-depth: 333.0 diameter: 4.7 dipole: 2.444 polarizability: 6.006 - name: CF3CCH composition: {H: 1, C: 3, F: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [0.281616474, 0.0525169846, -7.44406106e-05, 5.35249568e-08, -1.53175885e-11, -5.3396644e+04, 23.4333278] - [12.0875571, 6.73607631e-03, -2.6930097e-06, 4.89991898e-10, -3.33727293e-14, -5.60204633e+04, -34.3479861] transport: model: gas geometry: nonlinear well-depth: 331.0 diameter: 4.7 - name: CF3COCH3 composition: {H: 3, C: 3, O: 1, F: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [2.3118356, 0.0462931613, -3.86726491e-05, 1.45780128e-08, -1.4875732e-12, -1.03127581e+05, 17.5781936] - [13.7707128, 0.0139114007, -5.56646243e-06, 1.01277226e-09, -6.89535233e-14, -1.06311755e+05, -41.5671452] transport: model: gas geometry: nonlinear well-depth: 367.0 diameter: 5.0 - name: CH2CFCF3 composition: {C: 3, H: 2, F: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.00153498, 0.0498007666, -4.61878165e-05, 1.64791672e-08, -3.13155879e-13, -9.99486839e+04, 20.7746963] - [14.3109945, 9.44785369e-03, -3.52268169e-06, 5.79391979e-10, -3.50621207e-14, -1.03384074e+05, -46.913046] transport: model: gas geometry: nonlinear well-depth: 371.0 diameter: 4.9 - name: CH-CFCF3 composition: {H: 1, C: 3, F: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [0.49966312, 0.057120227, -7.49546439e-05, 4.83897613e-08, -1.22362197e-11, -7.0396948e+04, 23.0298398] - [14.3232063, 6.55666899e-03, -2.43587955e-06, 3.98836047e-10, -2.40439148e-14, -7.35563379e+04, -45.2117067] transport: model: gas geometry: nonlinear well-depth: 367.0 diameter: 4.9 - name: CFCCF3 composition: {C: 3, F: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [1.66216798, 0.0504259227, -7.06032551e-05, 4.96669771e-08, -1.39443207e-11, -6.60891537e+04, 18.0212557] - [13.8905011, 5.04274517e-03, -2.01504138e-06, 3.33703287e-10, -1.8545557e-14, -6.89349055e+04, -42.390235] transport: model: gas geometry: nonlinear well-depth: 361.0 diameter: 4.8 - name: CHFCHCF3 composition: {F: 4, C: 3, H: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [0.94199275, 0.048232398, -4.4684845e-05, 1.9372845e-08, -2.9209028e-12, -1.0189379e+05, 23.293679] - [9.4812168, 0.020003084, -1.123225e-05, 2.9986969e-09, -3.0926159e-13, -1.0389801e+05, -19.385037] transport: model: gas geometry: nonlinear well-depth: 371.0 diameter: 4.9 - name: CFCHCF3 composition: {F: 4, C: 3, H: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [2.213778, 0.041937544, -4.0143199e-05, 1.7943289e-08, -2.8477463e-12, -7.0084971e+04, 18.240006] - [9.7942485, 0.016627541, -9.6960143e-06, 2.6570454e-09, -2.7915513e-13, -7.1851659e+04, -19.584352] transport: model: gas geometry: nonlinear well-depth: 335.0 diameter: 4.7 dipole: 2.722 polarizability: 4.631 rotational-relaxation: 1.0 - name: CHFCCF3 composition: {F: 4, C: 3, H: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [2.3285801, 0.040806304, -3.7679375e-05, 1.5829011e-08, -2.2038484e-12, -6.813948e+04, 17.931137] - [9.7242171, 0.016694442, -9.7176099e-06, 2.6585199e-09, -2.7889692e-13, -6.9892141e+04, -19.116208] transport: model: gas geometry: nonlinear well-depth: 335.0 diameter: 4.7 dipole: 2.722 polarizability: 4.631 rotational-relaxation: 1.0 - name: CH2CFO composition: {H: 2, C: 2, O: 1, F: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [0.80750926, 0.0306961531, -3.16571339e-05, 1.7042241e-08, -3.77730061e-12, -3.14927535e+04, 20.5215635] - [8.36520592, 7.20529018e-03, -2.94164587e-06, 5.42254381e-10, -3.7249418e-14, -3.34931011e+04, -17.9788801] transport: model: gas geometry: nonlinear well-depth: 312.2 diameter: 4.583 dipole: 3.302 polarizability: 3.442 rotational-relaxation: 1.0 - name: C3H6 composition: {C: 3, H: 6} 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 well-depth: 266.8 diameter: 4.982 rotational-relaxation: 1.0 - name: C3H7 composition: {C: 3, H: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [1.0515518, 0.02599198, 2.380054e-06, -1.9609569e-08, 9.373247e-12, 1.0631863e+04, 21.122559] - [7.7026987, 0.016044203, -5.283322e-06, 7.629859e-10, -3.9392284e-14, 8298.4336, -15.48018] transport: model: gas geometry: nonlinear well-depth: 266.8 diameter: 4.982 rotational-relaxation: 1.0 - name: C3H8 composition: {C: 3, H: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [0.93355381, 0.026424579, 6.1059727e-06, -2.1977499e-08, 9.5149253e-12, -1.395852e+04, 19.201691] - [7.5341368, 0.018872239, -6.2718491e-06, 9.1475649e-10, -4.7838069e-14, -1.6467516e+04, -17.892349] transport: model: gas geometry: nonlinear well-depth: 266.8 diameter: 4.982 rotational-relaxation: 1.0 - name: CH3CCH2 composition: {C: 3, H: 5} 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 well-depth: 260.0 diameter: 4.85 rotational-relaxation: 1.0 reactions: #----------------------------------------------------------------------------- #--------------------------- C/H/N/O Chemistry (3) --------------------------- #----------------------------------------------------------------------------- - equation: H + O2 <=> O + OH # Reaction 1 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 1.5286e+04} - equation: O + H2 <=> OH + H # Reaction 2 duplicate: true rate-constant: {A: 3.8e+12, b: 0.0, Ea: 7948.0} - equation: O + H2 <=> OH + H # Reaction 3 duplicate: true rate-constant: {A: 8.8e+14, b: 0.0, Ea: 1.9175e+04} - equation: OH + H2 <=> H + H2O # Reaction 4 rate-constant: {A: 2.2e+08, b: 1.51, Ea: 3430.0} - equation: OH + OH <=> O + H2O # Reaction 5 duplicate: true rate-constant: {A: 2.0e+07, b: 1.651, Ea: 631.0} - equation: OH + OH <=> O + H2O # Reaction 6 duplicate: true rate-constant: {A: 2.6e+11, b: -0.057, Ea: -827.0} - equation: H2 + M <=> H + H + M # Reaction 7 type: three-body rate-constant: {A: 4.6e+19, b: -1.4, Ea: 1.0438e+05} efficiencies: {H2: 2.5, H2O: 12.0, CO: 1.9, CO2: 3.8, AR: 0.0} - equation: H2 + AR <=> H + H + AR # Reaction 8 rate-constant: {A: 5.8e+18, b: -1.1, Ea: 1.0438e+05} - equation: H + O + M <=> OH + M # Reaction 9 type: three-body rate-constant: {A: 4.7e+18, b: -1.0, Ea: 0.0} efficiencies: {H2: 2.5, H2O: 12.0, AR: 0.75, CO: 1.9, CO2: 3.8} - equation: O + O + M <=> O2 + M # Reaction 10 type: three-body rate-constant: {A: 1.9e+13, b: 0.0, Ea: -1788.0} efficiencies: {H2: 2.5, H2O: 12.0, AR: 0.0, CO: 1.9, CO2: 3.8} - equation: H2O + M <=> H + OH + M # Reaction 11 type: three-body rate-constant: {A: 6.1e+27, b: -3.322, Ea: 1.2079e+05} efficiencies: {H2: 3.0, H2O: 0.0, N2: 2.0, O2: 1.5, CO: 1.9, CO2: 3.8} - equation: H2O + H2O <=> H + OH + H2O # Reaction 12 rate-constant: {A: 1.0e+26, b: -2.44, Ea: 1.2018e+05} - equation: H + O2 (+M) <=> HO2 (+M) # Reaction 13 type: falloff low-P-rate-constant: {A: 6.366e+20, b: -1.72, Ea: 524.8} high-P-rate-constant: {A: 4.7e+12, b: 0.44, Ea: 0.0} Troe: {A: 0.5, T3: 1.0e-30, T1: 1.0e+30} efficiencies: {H2: 2.0, H2O: 14.0, O2: 0.78, CO: 1.9, CO2: 3.8, AR: 0.67} note: MAIN BATH GAS IS N2 (comment this reaction otherwise) ================================================================================= MAIN BATH GAS IS AR (comment this reaction otherwise) H+O2(+M)=HO2(+M) 4.7E12 0.440 0 ! LOW/9.042E19 -1.50 4.922E02/ TROE/0.5 1E-30 1E30/ H2/3/ H2O/21/ O2/1.1/ CO/2.7/ CO2/5.4/ N2/1.5/ ================================================================================= - equation: HO2 + H <=> H2 + O2 # Reaction 14 rate-constant: {A: 2.8e+06, b: 2.09, Ea: -1451.0} - equation: HO2 + H <=> OH + OH # Reaction 15 rate-constant: {A: 7.1e+13, b: 0.0, Ea: 295.0} - equation: HO2 + H <=> H2O + O # Reaction 16 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 0.0} - equation: HO2 + O <=> O2 + OH # Reaction 17 rate-constant: {A: 2.9e+10, b: 1.0, Ea: -724.0} - equation: HO2 + OH <=> H2O + O2 # Reaction 18 duplicate: true rate-constant: {A: 1.9e+20, b: -2.49, Ea: 584.0} - equation: HO2 + OH <=> H2O + O2 # Reaction 19 duplicate: true rate-constant: {A: 1.2e+09, b: 1.24, Ea: -1310.0} - equation: HO2 + HO2 <=> H2O2 + O2 # Reaction 20 duplicate: true rate-constant: {A: 1.2e+09, b: 0.7712, Ea: -1825.0} - equation: HO2 + HO2 <=> H2O2 + O2 # Reaction 21 duplicate: true rate-constant: {A: 1.3e+12, b: 0.295, Ea: 7397.0} - equation: H2O2 (+M) <=> OH + OH (+M) # Reaction 22 type: falloff low-P-rate-constant: {A: 2.5e+24, b: -2.3, Ea: 4.8749e+04} high-P-rate-constant: {A: 2.0e+12, b: 0.9, Ea: 4.8749e+04} Troe: {A: 0.43, T3: 1.0e-30, T1: 1.0e+30} efficiencies: {AR: 1.0, H2O: 7.5, CO2: 1.6, N2: 1.5, O2: 1.2, H2O2: 7.7, H2: 3.7, CO: 2.8} - equation: H2O2 + H <=> H2O + OH # Reaction 23 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 3970.0} - equation: H2O2 + H <=> HO2 + H2 # Reaction 24 rate-constant: {A: 4.8e+13, b: 0.0, Ea: 7950.0} - equation: H2O2 + O <=> HO2 + OH # Reaction 25 rate-constant: {A: 9.6e+06, b: 2.0, Ea: 3970.0} - equation: H2O2 + OH <=> HO2 + H2O # Reaction 26 duplicate: true rate-constant: {A: 1.7e+12, b: 0.0, Ea: 318.0} - equation: H2O2 + OH <=> HO2 + H2O # Reaction 27 duplicate: true rate-constant: {A: 7.6e+13, b: 0.0, Ea: 7270.0} - equation: CO + O (+M) <=> CO2 (+M) # Reaction 28 type: falloff low-P-rate-constant: {A: 1.4e+24, b: -2.79, Ea: 4191.0} high-P-rate-constant: {A: 1.8e+10, b: 0.0, Ea: 2384.0} Troe: {A: 1.0, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} efficiencies: {H2: 2.5, H2O: 12.0, CO: 1.9, CO2: 3.8} - equation: CO + OH <=> CO2 + H # Reaction 29 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01315 atm, A: 2.1e+05, b: 1.9, Ea: -1064.0} - {P: 0.1315 atm, A: 2.5e+05, b: 1.88, Ea: -1043.0} - {P: 1.315 atm, A: 8.7e+05, b: 1.73, Ea: -685.0} - {P: 13.158 atm, A: 6.8e+06, b: 1.48, Ea: 48.0} - {P: 131.58 atm, A: 2.3e+07, b: 1.35, Ea: 974.0} - equation: CO + OH <=> HOCO # Reaction 30 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013158 atm, A: 1.7e+15, b: -2.68, Ea: 859.0} - {P: 0.13158 atm, A: 5.9e+18, b: -3.35, Ea: 887.0} - {P: 1.3158 atm, A: 2.6e+20, b: -3.5, Ea: 1309.0} - {P: 13.158 atm, A: 7.1e+20, b: -3.32, Ea: 1763.0} - {P: 131.58 atm, A: 1.1e+20, b: -2.78, Ea: 2056.0} - equation: CO + HO2 <=> CO2 + OH # Reaction 31 rate-constant: {A: 1.6e+05, b: 2.18, Ea: 1.7943e+04} - equation: CO + O2 <=> CO2 + O # Reaction 32 rate-constant: {A: 4.7e+12, b: 0.0, Ea: 6.05e+04} - equation: CO + H2O2 <=> HOCO + OH # Reaction 33 rate-constant: {A: 3.6e+04, b: 2.5, Ea: 2.866e+04} - equation: HOCO (+M) <=> CO2 + H (+M) # Reaction 34 type: falloff low-P-rate-constant: {A: 6.0e+26, b: -3.148, Ea: 3.7116e+04} high-P-rate-constant: {A: 8.2e+11, b: 0.413, Ea: 3.5335e+04} Troe: {A: 0.39, T3: 1.0e-30, T1: 1.0e+30} - equation: HOCO + H <=> CO2 + H2 # Reaction 35 rate-constant: {A: 3.1e+17, b: -1.3475, Ea: 555.0} - equation: HOCO + H <=> CO + H2O # Reaction 36 rate-constant: {A: 6.0e+15, b: -0.525, Ea: 2125.0} - equation: HOCO + O <=> CO2 + OH # Reaction 37 rate-constant: {A: 9.0e+12, b: 0.0, Ea: 0.0} - equation: HOCO + OH <=> CO2 + H2O # Reaction 38 duplicate: true rate-constant: {A: 4.6e+12, b: 0.0, Ea: -89.0} - equation: HOCO + OH <=> CO2 + H2O # Reaction 39 duplicate: true rate-constant: {A: 9.5e+06, b: 2.0, Ea: -89.0} - equation: HOCO + HO2 <=> CO2 + H2O2 # Reaction 40 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: HOCO + O2 <=> CO2 + HO2 # Reaction 41 rate-constant: {A: 4.0e+09, b: 1.0, Ea: 0.0} - equation: CH2O (+M) <=> HCO + H (+M) # Reaction 42 type: falloff low-P-rate-constant: {A: 1.3e+36, b: -5.5, Ea: 9.3932e+04} high-P-rate-constant: {A: 8.0e+15, b: 0.0, Ea: 8.7726e+04} - equation: CH2O (+M) <=> CO + H2 (+M) # Reaction 43 type: falloff low-P-rate-constant: {A: 4.4e+38, b: -6.1, Ea: 9.3932e+04} high-P-rate-constant: {A: 3.7e+13, b: 0.0, Ea: 7.1969e+04} - equation: CH2O + H <=> HCO + H2 # Reaction 44 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 7.4e+23, b: -2.732, Ea: 1.6379e+04} - {P: 1.0 atm, A: 1.4e+23, b: -2.355, Ea: 1.7519e+04} - {P: 10.0 atm, A: 7.3e+23, b: -2.665, Ea: 1.7634e+04} - equation: CH2O + H <=> HCO + H2 # Reaction 45 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 2.1e+10, b: 1.057, Ea: 3720.0} - {P: 1.0 atm, A: 1.6e+15, b: -0.444, Ea: 5682.0} - {P: 10.0 atm, A: 4.2e+09, b: 1.294, Ea: 3591.0} - equation: CH2O + H <=> H + CO + H2 # Reaction 46 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 7.2e+08, b: 1.903, Ea: 1.1733e+04} - {P: 1.0 atm, A: 5.1e+07, b: 2.182, Ea: 1.1524e+04} - {P: 10.0 atm, A: 1.1e+09, b: 1.812, Ea: 1.3163e+04} - equation: CH2O + O <=> HCO + OH # Reaction 47 duplicate: true rate-constant: {A: 5.6e+31, b: -5.189, Ea: 1.9968e+04} - equation: CH2O + O <=> HCO + OH # Reaction 48 duplicate: true rate-constant: {A: 1.4e+15, b: -0.53, Ea: 4011.0} - equation: CH2O + O <=> H + CO + OH # Reaction 49 rate-constant: {A: 2.5e+21, b: -1.903, Ea: 2.2674e+04} - equation: CH2O + OH <=> HCO + H2O # Reaction 50 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 3.6e+09, b: 1.167, Ea: -206.0} - {P: 1.0 atm, A: 1.9e+09, b: 1.256, Ea: -302.0} - {P: 10.0 atm, A: 1.1e+09, b: 1.33, Ea: -392.0} - equation: CH2O + OH <=> H + CO + H2O # Reaction 51 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 7.0e+10, b: 0.911, Ea: 8646.0} - {P: 1.0 atm, A: 7.2e+10, b: 0.892, Ea: 9310.0} - {P: 10.0 atm, A: 8.4e+10, b: 0.879, Ea: 9843.0} - equation: CH2O + HO2 <=> HCO + H2O2 # Reaction 52 rate-constant: {A: 4.4e+08, b: 1.298, Ea: 1.2129e+04} - equation: CH2O + HO2 <=> H + CO + H2O2 # Reaction 53 rate-constant: {A: 2.5e+14, b: 0.027, Ea: 3.012e+04} - equation: CH2O + O2 <=> HCO + HO2 # Reaction 54 duplicate: true rate-constant: {A: 1.8e+16, b: -0.639, Ea: 4.54e+04} - equation: CH2O + O2 <=> HCO + HO2 # Reaction 55 duplicate: true rate-constant: {A: 6.6e+08, b: 1.36, Ea: 3.7324e+04} - equation: CH2O + O2 <=> H + CO + HO2 # Reaction 56 rate-constant: {A: 1.4e+15, b: 0.027, Ea: 5.6388e+04} - equation: HCO (+M) <=> H + CO (+M) # Reaction 57 type: falloff low-P-rate-constant: {A: 7.4e+21, b: -2.36, Ea: 1.9383e+04} high-P-rate-constant: {A: 4.9e+16, b: -0.93, Ea: 1.9724e+04} Troe: {A: 0.103, T3: 139.0, T1: 1.09e+04, T2: 4550.0} efficiencies: {N2: 1.5, HE: 1.3, O2: 1.5, CO: 1.5, H2: 2.0, CH4: 5.0, CO2: 3.0, H2O: 15.0} - equation: HCO + H <=> CO + H2 # Reaction 58 rate-constant: {A: 1.1e+14, b: 0.0, Ea: 0.0} - equation: HCO + O <=> CO + OH # Reaction 59 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + O <=> CO2 + H # Reaction 60 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + OH <=> CO + H2O # Reaction 61 rate-constant: {A: 1.1e+14, b: 0.0, Ea: 0.0} - equation: HCO + O2 <=> CO + HO2 # Reaction 62 rate-constant: {A: 6.9e+06, b: 1.9, Ea: -1369.0} - equation: HCO + HO2 <=> CO2 + OH + H # Reaction 63 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + HCO <=> CO + CH2O # Reaction 64 rate-constant: {A: 2.7e+13, b: 0.0, Ea: 0.0} - equation: CH3 + H (+M) <=> CH4 (+M) # Reaction 65 type: falloff low-P-rate-constant: {A: 2.7e+35, b: -5.345, Ea: 3380.0} high-P-rate-constant: {A: 2.3e+14, b: 0.032, Ea: 144.0} Troe: {A: 0.395, T3: 163.5, T1: 4250.3, T2: 1.253676e+06} efficiencies: {AR: 0.61, CH4: 3.85, H2O: 10.0, H2: 4.0, CO: 1.4, CO2: 4.0, C2H6: 4.5, N2: 1.4, HE: 2.0} - equation: CH4 + H <=> CH3 + H2 # Reaction 66 rate-constant: {A: 4100.0, b: 3.156, Ea: 8755.0} - equation: CH4 + O <=> CH3 + OH # Reaction 67 rate-constant: {A: 4.4e+05, b: 2.5, Ea: 6577.0} - equation: CH4 + OH <=> CH3 + H2O # Reaction 68 rate-constant: {A: 1.0e+06, b: 2.182, Ea: 2506.0} - equation: CH4 + HO2 <=> CH3 + H2O2 # Reaction 69 rate-constant: {A: 4.7e+04, b: 2.5, Ea: 2.1e+04} - equation: CH4 + O2 <=> CH3 + HO2 # Reaction 70 rate-constant: {A: 2.0e+05, b: 2.745, Ea: 5.1714e+04} - equation: CH4 + CH2 <=> CH3 + CH3 # Reaction 71 rate-constant: {A: 4.3e+12, b: 0.0, Ea: 1.003e+04} - equation: CH4 + CH2(S) <=> CH3 + CH3 # Reaction 72 rate-constant: {A: 4.3e+13, b: 0.0, Ea: 0.0} - equation: CH4 + CH <=> C2H4 + H # Reaction 73 rate-constant: {A: 3.0e+13, b: 0.0, Ea: -400.0} - equation: CH3 + M <=> CH + H2 + M # Reaction 74 type: three-body rate-constant: {A: 3.1e+15, b: 0.0, Ea: 8.0871e+04} - equation: CH3 + M <=> CH2 + H + M # Reaction 75 type: three-body rate-constant: {A: 2.2e+15, b: 0.0, Ea: 8.2659e+04} - equation: CH3 + H <=> CH2 + H2 # Reaction 76 rate-constant: {A: 1.2e+06, b: 2.43, Ea: 1.1941e+04} - equation: CH2(S) + H2 <=> CH3 + H # Reaction 77 rate-constant: {A: 7.6e+13, b: 0.0, Ea: 0.0} - equation: CH3 + O <=> CH2O + H # Reaction 78 rate-constant: {A: 6.9e+13, b: 0.0, Ea: 0.0} - equation: CH3 + O <=> H2 + CO + H # Reaction 79 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} - equation: CH3 + OH <=> CH2 + H2O # Reaction 80 rate-constant: {A: 4.3e+04, b: 2.568, Ea: 3997.0} - equation: CH3 + OH <=> CH3OH # Reaction 81 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001316 atm, A: 6.9e+30, b: -6.63794, Ea: 2829.0} - {P: 0.013158 atm, A: 1.1e+32, b: -6.63695, Ea: 3364.0} - {P: 0.131579 atm, A: 1.5e+32, b: -6.36057, Ea: 3954.0} - {P: 1.315789 atm, A: 5.6e+30, b: -5.64842, Ea: 4214.0} - {P: 13.157895 atm, A: 1.4e+27, b: -4.33275, Ea: 3685.0} - {P: 131.578947 atm, A: 1.3e+22, b: -2.66369, Ea: 2451.0} - equation: CH3 + OH <=> CH2(S) + H2O # Reaction 82 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001316 atm, A: 1.1e+14, b: -0.45845, Ea: -496.0} - {P: 0.013158 atm, A: 2.2e+14, b: -0.53832, Ea: -220.0} - {P: 0.131579 atm, A: 1.2e+15, b: -0.72747, Ea: 600.0} - {P: 1.315789 atm, A: 4.3e+15, b: -0.85972, Ea: 1888.0} - {P: 13.157895 atm, A: 4.4e+14, b: -0.53864, Ea: 2932.0} - {P: 131.578947 atm, A: 6.1e+10, b: 0.5956, Ea: 2923.0} - equation: CH3 + OH <=> H2 + CH2O # Reaction 83 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001316 atm, A: 3.9e+09, b: 0.25392, Ea: -1221.0} - {P: 0.013158 atm, A: 2.0e+10, b: 0.06025, Ea: -624.0} - {P: 0.131579 atm, A: 2.8e+11, b: -0.24957, Ea: 498.0} - {P: 1.315789 atm, A: 3.6e+12, b: -0.53245, Ea: 2042.0} - {P: 13.157895 atm, A: 2.2e+12, b: -0.43166, Ea: 3415.0} - {P: 131.578947 atm, A: 2.4e+09, b: 0.45344, Ea: 3791.0} - equation: CH3 + OH <=> H + CH2OH # Reaction 84 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001316 atm, A: 8.4e+09, b: 0.96279, Ea: 3230.0} - {P: 0.013158 atm, A: 8.4e+09, b: 0.96279, Ea: 3230.0} - {P: 0.131579 atm, A: 1.0e+10, b: 0.94201, Ea: 3295.0} - {P: 1.315789 atm, A: 5.6e+10, b: 0.73966, Ea: 3971.0} - {P: 13.157895 atm, A: 5.5e+11, b: 0.4862, Ea: 5443.0} - {P: 131.578947 atm, A: 2.5e+10, b: 0.9092, Ea: 6402.0} - equation: CH3 + OH <=> H + CH3O # Reaction 85 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001316 atm, A: 7.9e+08, b: 1.06509, Ea: 1.1859e+04} - {P: 0.013158 atm, A: 7.9e+08, b: 1.06509, Ea: 1.1859e+04} - {P: 0.131579 atm, A: 7.9e+08, b: 1.06509, Ea: 1.1859e+04} - {P: 1.315789 atm, A: 7.9e+08, b: 1.06457, Ea: 1.1859e+04} - {P: 13.157895 atm, A: 1.0e+09, b: 1.03413, Ea: 1.197e+04} - {P: 131.578947 atm, A: 3.1e+09, b: 0.92189, Ea: 1.2981e+04} - equation: CH3 + OH <=> H2 + HCOH # Reaction 86 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001316 atm, A: 1.2e+09, b: 0.83024, Ea: -2323.0} - {P: 0.013158 atm, A: 6.4e+09, b: 0.63305, Ea: -1701.0} - {P: 0.131579 atm, A: 8.0e+10, b: 0.33964, Ea: -565.0} - {P: 1.315789 atm, A: 6.5e+11, b: 0.11155, Ea: 932.0} - {P: 13.157895 atm, A: 2.1e+11, b: 0.29509, Ea: 2200.0} - {P: 131.578947 atm, A: 9.4e+07, b: 1.28631, Ea: 2424.0} - equation: CH3 + HO2 <=> CH3O + OH # Reaction 87 rate-constant: {A: 1.0e+12, b: 0.2688, Ea: -688.0} - equation: CH3 + O2 <=> CH3O + O # Reaction 88 rate-constant: {A: 7.5e+12, b: 0.0, Ea: 2.8297e+04} - equation: CH3 + O2 <=> CH2O + OH # Reaction 89 rate-constant: {A: 1.9e+11, b: 0.0, Ea: 9842.0} - equation: CH3 + O2 <=> CH3OO # Reaction 90 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 6.8e+24, b: -3.0, Ea: 0.0} - {P: 1.0 atm, A: 5.0e+22, b: -3.85, Ea: 2000.0} - {P: 10.0 atm, A: 3.4e+21, b: -3.2, Ea: 2300.0} - {P: 20.0 atm, A: 4.1e+20, b: -2.94, Ea: 1900.0} - {P: 20.0 atm, A: 3.3e+29, b: -5.6, Ea: 6850.0} - {P: 50.0 atm, A: 2.8e+18, b: -2.2, Ea: 1400.0} - {P: 50.0 atm, A: 5.6e+28, b: -5.25, Ea: 6850.0} - {P: 100.0 atm, A: 1.1e+19, b: -2.3, Ea: 1800.0} - {P: 100.0 atm, A: 4.1e+30, b: -5.7, Ea: 8750.0} - equation: CH2O + CH3 <=> HCO + CH4 # Reaction 91 rate-constant: {A: 3.5e+05, b: 2.157, Ea: 6234.0} - equation: CH2O + CH3 <=> H + CO + CH4 # Reaction 92 rate-constant: {A: 1.9e+11, b: 0.887, Ea: 2.4224e+04} - equation: CH3 + HCO <=> CH4 + CO # Reaction 93 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.05 atm, A: 2.9e+18, b: -1.84, Ea: 2134.0} - {P: 0.1 atm, A: 8.7e+18, b: -1.97, Ea: 2684.0} - {P: 1.0 atm, A: 1.8e+20, b: -2.3, Ea: 4781.0} - {P: 10.0 atm, A: 1.1e+21, b: -2.45, Ea: 7417.0} - equation: CH3 + HCO <=> CH2CO + H2 # Reaction 94 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.05 atm, A: 6.1e+06, b: 1.24, Ea: -1733.0} - {P: 0.1 atm, A: 1.1e+07, b: 1.18, Ea: -1303.0} - {P: 1.0 atm, A: 4.9e+08, b: 0.75, Ea: 842.0} - {P: 10.0 atm, A: 1.6e+11, b: 0.109, Ea: 4387.0} - equation: CH3 + CH3 <=> C2H5 + H # Reaction 95 rate-constant: {A: 5.4e+13, b: 0.0, Ea: 1.6055e+04} - equation: CH3 + CH2 <=> C2H4 + H # Reaction 96 rate-constant: {A: 1.2e+15, b: -0.3432, Ea: 153.0} - equation: CH3 + CH2(S) <=> C2H4 + H # Reaction 97 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3 + CH <=> C2H3 + H # Reaction 98 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH3 + C <=> C2H2 + H # Reaction 99 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH2 + M <=> CH + H + M # Reaction 100 type: three-body rate-constant: {A: 5.6e+15, b: 0.0, Ea: 8.9e+04} - equation: CH2 + M <=> C + H2 + M # Reaction 101 type: three-body rate-constant: {A: 5.8e+12, b: 0.5, Ea: 6.85e+04} - equation: CH2 + H <=> CH + H2 # Reaction 102 rate-constant: {A: 1.6e+14, b: 0.0, Ea: 0.0} - equation: CH2 + O <=> CO + H + H # Reaction 103 rate-constant: {A: 1.2e+14, b: 0.0, Ea: 536.0} - equation: CH2 + O <=> CO + H2 # Reaction 104 rate-constant: {A: 8.0e+13, b: 0.0, Ea: 536.0} - equation: CH2 + OH <=> CH2O + H # Reaction 105 rate-constant: {A: 2.8e+13, b: 0.1228, Ea: -161.0} - equation: CH2 + OH <=> CH + H2O # Reaction 106 rate-constant: {A: 8.6e+05, b: 2.019, Ea: 6776.0} - equation: CH2 + O2 <=> CO2 + H + H # Reaction 107 rate-constant: {A: 2.1e+09, b: 0.9929, Ea: -269.0} - equation: CH2 + O2 <=> CH2O + O # Reaction 108 rate-constant: {A: 2.2e+09, b: 1.08, Ea: 1196.0} - equation: CH2 + CO2 <=> CO + CH2O # Reaction 109 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1000.0} - equation: CH2 + CH2 <=> C2H2 + H + H # Reaction 110 rate-constant: {A: 7.0e+13, b: 2.2e-03, Ea: 8.0} - equation: CH2 + CH2 <=> C2H2 + H2 # Reaction 111 rate-constant: {A: 1.8e+13, b: 2.2e-03, Ea: 8.0} - equation: CH2 + CH <=> C2H2 + H # Reaction 112 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH2 + C <=> C2H + H # Reaction 113 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + N2 <=> CH2 + N2 # Reaction 114 rate-constant: {A: 1.3e+13, b: 0.0, Ea: 430.0} - equation: CH2(S) + AR <=> CH2 + AR # Reaction 115 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 884.0} - equation: CH2(S) + H <=> CH2 + H # Reaction 116 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 0.0} - equation: CH2(S) + H <=> CH + H2 # Reaction 117 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + O <=> CO + 2 H # Reaction 118 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + OH <=> CH2O + H # Reaction 119 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + O2 <=> CH2 + O2 # Reaction 120 rate-constant: {A: 3.1e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + H2O <=> CH2 + H2O # Reaction 121 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + CO2 <=> CH2O + CO # Reaction 122 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 0.0} - equation: CH + H <=> C + H2 # Reaction 123 rate-constant: {A: 1.2e+14, b: 0.0, Ea: 0.0} - equation: CH + O <=> CO + H # Reaction 124 rate-constant: {A: 5.7e+13, b: 0.0, Ea: 0.0} - equation: CH + OH <=> HCO + H # Reaction 125 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH + OH <=> H + CO + H # Reaction 126 rate-constant: {A: 1.8e+23, b: -2.473, Ea: 1.9927e+04} - equation: CH + OH <=> C + H2O # Reaction 127 rate-constant: {A: 4.0e+07, b: 2.0, Ea: 3000.0} - equation: CH + O2 <=> HCO + O # Reaction 128 rate-constant: {A: 9.7e+13, b: 0.0, Ea: 0.0} - equation: CH + O2 <=> H + CO + O # Reaction 129 rate-constant: {A: 2.0e+23, b: -2.473, Ea: 1.9927e+04} - equation: CH + H2O <=> CH2O + H # Reaction 130 rate-constant: {A: 2.8e+07, b: 1.59, Ea: -2610.0} - equation: CH + CO2 <=> HCO + CO # Reaction 131 rate-constant: {A: 8.8e+06, b: 1.75, Ea: -1040.0} - equation: CH + CO2 <=> H + CO + CO # Reaction 132 rate-constant: {A: 5.3e+16, b: -0.723, Ea: 1.8887e+04} - equation: CH + CH2O <=> CH2CO + H # Reaction 133 rate-constant: {A: 9.5e+13, b: 0.0, Ea: -517.0} - equation: C + OH <=> CO + H # Reaction 134 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C + O2 <=> CO + O # Reaction 135 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3OH (+M) <=> CH2(S) + H2O (+M) # Reaction 136 type: falloff low-P-rate-constant: {A: 5.4e+23, b: -8.3446, Ea: 9.9596e+04} high-P-rate-constant: {A: 3.1e+18, b: -1.017, Ea: 9.1712e+04} Troe: {A: 0.9922, T3: 943.0, T1: 4.731e+04, T2: 4.711e+04} - equation: CH2OH + H (+M) <=> CH3OH (+M) # Reaction 137 type: falloff low-P-rate-constant: {A: 3.844e+37, b: -6.21, Ea: 1333.0} high-P-rate-constant: {A: 4.3e+15, b: -0.79, Ea: 0.0} Troe: {A: 0.25, T3: 210.0, T1: 1434.0, T2: 1.0e+30} - equation: CH3O + H (+M) <=> CH3OH (+M) # Reaction 138 type: falloff low-P-rate-constant: {A: 4.66e+41, b: -7.44, Ea: 1.408e+04} high-P-rate-constant: {A: 2.4e+12, b: 0.515, Ea: 50.0} Troe: {A: 0.7, T3: 100.0, T1: 9.0e+04, T2: 1.0e+04} efficiencies: {N2: 1.0, H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0} - equation: CH3OH + H <=> CH2OH + H2 # Reaction 139 rate-constant: {A: 6.6e+04, b: 2.728, Ea: 4449.0} - equation: CH3OH + H <=> CH3O + H2 # Reaction 140 rate-constant: {A: 4.1e+04, b: 2.658, Ea: 9221.0} - equation: CH3OH + O <=> CH2OH + OH # Reaction 141 rate-constant: {A: 2.1e+13, b: 0.0, Ea: 5305.0} - equation: CH3OH + O <=> CH3O + OH # Reaction 142 rate-constant: {A: 3.7e+12, b: 0.0, Ea: 5305.0} - equation: CH3OH + OH <=> CH2OH + H2O # Reaction 143 rate-constant: {A: 1.5e+08, b: 1.4434, Ea: 113.0} - equation: CH3OH + OH <=> CH3O + H2O # Reaction 144 rate-constant: {A: 2.7e+07, b: 1.4434, Ea: 113.0} - equation: CH3OH + HO2 <=> CH2OH + H2O2 # Reaction 145 rate-constant: {A: 3.5e-04, b: 4.85, Ea: 1.0346e+04} - equation: CH3OH + HO2 <=> CH3O + H2O2 # Reaction 146 rate-constant: {A: 1.5e-03, b: 4.61, Ea: 1.5928e+04} - equation: CH3OH + O2 <=> CH2OH + HO2 # Reaction 147 rate-constant: {A: 3.6e+05, b: 2.27, Ea: 4.276e+04} - equation: CH3O + HO2 <=> CH3OH + O2 # Reaction 148 rate-constant: {A: 1.4e+11, b: 0.0, Ea: 0.0} - equation: CH3OH + CH3 <=> CH3O + CH4 # Reaction 149 rate-constant: {A: 0.013, b: 4.161, Ea: 6002.0} - equation: CH3OH + CH3 <=> CH2OH + CH4 # Reaction 150 rate-constant: {A: 0.74, b: 3.781, Ea: 7183.0} - equation: CH2OH (+M) <=> CH2O + H (+M) # Reaction 151 type: falloff low-P-rate-constant: {A: 3.5e+21, b: -1.99, Ea: 2.3983e+04} high-P-rate-constant: {A: 7.4e+10, b: 0.811, Ea: 3.9559e+04} Troe: {A: 0.844, T3: 900.0, T1: 1.0, T2: 3315.0} efficiencies: {HE: 0.67, AR: 0.85, O2: 1.0, H2: 2.0, CO: 1.5, CO2: 2.0, H2O: 6.0, CH4: 2.0, CH2O: 2.5, C2H6: 3.0, CH3OH: 3.0} - equation: CH2OH + H <=> CH2O + H2 # Reaction 152 rate-constant: {A: 4.0e+06, b: 1.86, Ea: 147.0} - equation: CH2OH + O <=> CH2O + OH # Reaction 153 rate-constant: {A: 6.6e+13, b: 0.0, Ea: -693.0} - equation: CH2OH + OH <=> CH2O + H2O # Reaction 154 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: CH2OH + HO2 <=> CH2O + H2O2 # Reaction 155 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: CH2OH + O2 <=> CH2O + HO2 # Reaction 156 duplicate: true rate-constant: {A: 7.2e+13, b: 0.0, Ea: 3736.0} - equation: CH2OH + O2 <=> CH2O + HO2 # Reaction 157 duplicate: true rate-constant: {A: 2.9e+16, b: -1.5, Ea: 0.0} - equation: CH2OH + CH3 <=> C2H4 + H2O # Reaction 158 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 6.3e+24, b: -3.7134, Ea: 2798.0} - {P: 0.01 atm, A: 1.2e+25, b: -3.7867, Ea: 3001.0} - {P: 0.1 atm, A: 3.2e+27, b: -4.45, Ea: 5345.0} - {P: 1.0 atm, A: 7.2e+29, b: -5.0344, Ea: 9245.0} - {P: 10.0 atm, A: 1.7e+27, b: -4.1839, Ea: 1.1152e+04} - {P: 100.0 atm, A: 3.9e+17, b: -1.3688, Ea: 8978.0} - equation: CH2OH + HCO <=> CH3OH + CO # Reaction 159 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2OH + HCO <=> CH2O + CH2O # Reaction 160 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} - equation: CH2OH + CH2O <=> CH3OH + HCO # Reaction 161 rate-constant: {A: 5500.0, b: 2.81, Ea: 5862.0} - equation: CH2OH + CH2O <=> CH3OH + H + CO # Reaction 162 rate-constant: {A: 3.3e+13, b: 0.337, Ea: 2.5789e+04} - equation: CH2OH + CH2OH <=> CH3OH + CH2O # Reaction 163 rate-constant: {A: 4.8e+12, b: 0.0, Ea: 0.0} - equation: CH2OH + CH3O <=> CH3OH + CH2O # Reaction 164 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 0.0} - equation: CH3O (+M) <=> CH2O + H (+M) # Reaction 165 type: falloff low-P-rate-constant: {A: 6.0e+16, b: -0.547, Ea: 1.8012e+04} high-P-rate-constant: {A: 1.1e+10, b: 1.21, Ea: 2.4069e+04} Troe: {A: 0.341, T3: 28.0, T1: 1000.0, T2: 2339.0} efficiencies: {HE: 0.67, AR: 0.85, O2: 1.0, H2: 2.0, CO: 1.5, CO2: 2.0, H2O: 6.0, CH4: 2.0, CH2O: 2.5, C2H6: 3.0, CH3OH: 3.0} - equation: CH3O + H <=> CH2O + H2 # Reaction 166 rate-constant: {A: 7.6e+08, b: 1.5, Ea: -519.0} - equation: CH3O + O <=> CH2O + OH # Reaction 167 rate-constant: {A: 3.8e+12, b: 0.0, Ea: 0.0} - equation: CH3O + OH <=> CH2O + H2O # Reaction 168 rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0} - equation: CH3O + HO2 <=> CH2O + H2O2 # Reaction 169 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CH3O + O2 <=> CH2O + HO2 # Reaction 170 rate-constant: {A: 0.48, b: 3.567, Ea: -1055.0} - equation: CH3O + CO <=> CH3 + CO2 # Reaction 171 rate-constant: {A: 9.5e+25, b: -4.93, Ea: 9080.0} - equation: CH3O + CH3 <=> CH2O + CH4 # Reaction 172 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: CH3O + CH2O <=> CH3OH + HCO # Reaction 173 rate-constant: {A: 6.6e+11, b: 0.0, Ea: 2285.0} - equation: CH3O + CH3O <=> CH3OH + CH2O # Reaction 174 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: CH3OOH (+M) <=> CH3O + OH (+M) # Reaction 175 type: falloff low-P-rate-constant: {A: 3.9e+42, b: -7.502, Ea: 4.673e+04} high-P-rate-constant: {A: 4.1e+19, b: -1.153, Ea: 4.4226e+04} Troe: {A: 0.8375, T3: 3.6562e+04, T1: 498.8, T2: 9990.0} - equation: CH3OOH + H <=> CH2OOH + H2 # Reaction 176 rate-constant: {A: 5.4e+10, b: 0.0, Ea: 1860.0} - equation: CH3OOH + H <=> CH3OO + H2 # Reaction 177 rate-constant: {A: 5.4e+10, b: 0.0, Ea: 1860.0} - equation: CH3OOH + H <=> CH3O + H2O # Reaction 178 rate-constant: {A: 1.2e+10, b: 0.0, Ea: 1860.0} - equation: CH3OOH + O <=> CH2OOH + OH # Reaction 179 rate-constant: {A: 1.6e+13, b: 0.0, Ea: 4750.0} - equation: CH3OOH + O <=> CH3OO + OH # Reaction 180 rate-constant: {A: 8.7e+12, b: 0.0, Ea: 4750.0} - equation: CH3OOH + OH <=> CH3OO + H2O # Reaction 181 rate-constant: {A: 1.1e+12, b: 0.0, Ea: -437.0} - equation: CH3OOH + OH <=> CH2OOH + H2O # Reaction 182 rate-constant: {A: 7.2e+11, b: 0.0, Ea: -258.0} - equation: CH3OOH + HO2 <=> CH3OO + H2O2 # Reaction 183 rate-constant: {A: 4.1e+04, b: 2.5, Ea: 1.0206e+04} - equation: CH3OO + H <=> CH3O + OH # Reaction 184 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH3OO + O <=> CH3O + O2 # Reaction 185 rate-constant: {A: 2.9e+10, b: 1.0, Ea: -724.0} - equation: CH3OO + OH <=> CH3OH + O2 # Reaction 186 rate-constant: {A: 1.7e+14, b: 0.0, Ea: 0.0} - equation: CH3OO + HO2 <=> CH3OOH + O2 # Reaction 187 rate-constant: {A: 2.5e+11, b: 0.0, Ea: -1490.0} - equation: CH3OO + CH3 <=> CH3O + CH3O # Reaction 188 rate-constant: {A: 5.1e+12, b: 0.0, Ea: -1411.0} - equation: CH3OOH + CH3 <=> CH3OO + CH4 # Reaction 189 rate-constant: {A: 1.6e-03, b: 4.322, Ea: -235.0} - equation: CH3OO + CH2OH <=> CH2O + CH3OOH # Reaction 190 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: CH3OO + HCO <=> CH3O + H + CO2 # Reaction 191 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH3OO + CO <=> CH3O + CO2 # Reaction 192 rate-constant: {A: 1.6e+05, b: 2.18, Ea: 1.794e+04} - equation: CH3OO + CH2O <=> CH3OOH + HCO # Reaction 193 rate-constant: {A: 4.1e+04, b: 2.5, Ea: 1.0206e+04} - equation: CH3OO + CH2O <=> CH3OOH + H + CO # Reaction 194 rate-constant: {A: 2.5e+14, b: 0.027, Ea: 3.0133e+04} - equation: CH3OO + CH3O <=> CH2O + CH3OOH # Reaction 195 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CH3OO + CH3OH <=> CH3OOH + CH2OH # Reaction 196 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 1.94e+04} - equation: CH3OO + CH3OO <=> CH3O + CH3O + O2 # Reaction 197 duplicate: true rate-constant: {A: 1.1e+18, b: -2.4, Ea: 1800.0} - equation: CH3OO + CH3OO <=> CH3O + CH3O + O2 # Reaction 198 duplicate: true rate-constant: {A: 7.0e+10, b: 0.0, Ea: 800.0} - equation: CH3OO + CH3OO <=> CH3OH + CH2O + O2 # Reaction 199 rate-constant: {A: 2.0e+11, b: -0.55, Ea: -1600.0} - equation: CH2OOH <=> CH2O + OH # Reaction 200 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 9.6e+10, b: -0.925, Ea: 1567.0} - {P: 1.0 atm, A: 2.4e+12, b: -0.925, Ea: 1567.0} - {P: 10.0 atm, A: 2.5e+13, b: -0.927, Ea: 1579.0} - {P: 100.0 atm, A: 7.0e+14, b: -1.064, Ea: 1744.0} - equation: HCOH <=> CH2O # Reaction 201 rate-constant: {A: 5.2e+13, b: 0.0, Ea: 3.2109e+04} - equation: HCOH <=> CO + H2 # Reaction 202 rate-constant: {A: 6.6e+13, b: 0.0, Ea: 4.9465e+04} - equation: HCOH + H <=> CH2O + H # Reaction 203 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: HCOH + H <=> HCO + H2 # Reaction 204 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: HCOH + H <=> H + CO + H2 # Reaction 205 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: HCOH + O <=> CO2 + 2 H # Reaction 206 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCOH + OH <=> HCO + H2O # Reaction 207 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: HCOH + OH <=> H + CO + H2O # Reaction 208 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2O + OH <=> HOCH2O # Reaction 209 rate-constant: {A: 6.3e+06, b: 1.63, Ea: 4282.0} - equation: HOCH2O <=> HOCHO + H # Reaction 210 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 1.49e+04} - equation: CH3 + CH3 (+M) <=> C2H6 (+M) # Reaction 211 type: falloff low-P-rate-constant: {A: 1.269e+41, b: -7.0, Ea: 2762.0} high-P-rate-constant: {A: 9.5e+14, b: -0.538, Ea: 179.0} Troe: {A: 0.62, T3: 73.0, T1: 1180.0, T2: 1.0e+30} - equation: C2H6 + H <=> C2H5 + H2 # Reaction 212 duplicate: true rate-constant: {A: 7400.0, b: 3.1, Ea: 5340.0} - equation: C2H6 + H <=> C2H5 + H2 # Reaction 213 duplicate: true rate-constant: {A: 3.3e+14, b: 0.0, Ea: 1.3667e+04} - equation: C2H6 + O <=> C2H5 + OH # Reaction 214 rate-constant: {A: 1.8e+05, b: 2.8, Ea: 5800.0} - equation: C2H6 + OH <=> C2H5 + H2O # Reaction 215 rate-constant: {A: 1.6e+06, b: 2.224, Ea: 741.0} - equation: C2H6 + HO2 <=> C2H5 + H2O2 # Reaction 216 rate-constant: {A: 8.7e+04, b: 2.65, Ea: 1.89e+04} - equation: C2H6 + O2 <=> C2H5 + HO2 # Reaction 217 rate-constant: {A: 2.9e+07, b: 1.9, Ea: 4.9548e+04} - equation: C2H6 + CH3 <=> C2H5 + CH4 # Reaction 218 rate-constant: {A: 35.0, b: 3.44, Ea: 1.0384e+04} - equation: C2H6 + CH2(S) <=> C2H5 + CH3 # Reaction 219 rate-constant: {A: 1.2e+14, b: 0.0, Ea: 0.0} - equation: C2H6 + CH3OO <=> C2H5 + CH3OOH # Reaction 220 rate-constant: {A: 19.0, b: 3.64, Ea: 1.71e+04} - equation: C2H4 + H (+M) <=> C2H5 (+M) # Reaction 221 type: falloff low-P-rate-constant: {A: 2.0e+39, b: -6.642, Ea: 5769.0} high-P-rate-constant: {A: 1.4e+09, b: 1.463, Ea: 1355.0} Troe: {A: -0.569, T3: 299.0, T1: 9147.0, T2: 152.4} efficiencies: {N2: 1.2, CO: 1.5, H2: 2.0, CO2: 3.0, H2O: 10.0} - equation: C2H5 + H (+M) <=> C2H6 (+M) # Reaction 222 type: falloff low-P-rate-constant: {A: 1.99e+41, b: -7.08, Ea: 6685.0} high-P-rate-constant: {A: 5.2e+17, b: -0.99, Ea: 1580.0} Troe: {A: 0.8422, T3: 125.0, T1: 2219.0, T2: 6882.0} efficiencies: {N2: 1.0, H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, AR: 0.7} - equation: C2H5 + O <=> CH3 + CH2O # Reaction 223 rate-constant: {A: 4.2e+13, b: 0.0, Ea: 0.0} - equation: C2H5 + O <=> CH3CHO + H # Reaction 224 rate-constant: {A: 5.3e+13, b: 0.0, Ea: 0.0} - equation: C2H5 + O <=> C2H4 + OH # Reaction 225 rate-constant: {A: 3.1e+13, b: 0.0, Ea: 0.0} - equation: C2H5 + OH <=> C2H4 + H2O # Reaction 226 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 1.3e+19, b: -1.96, Ea: 273.0} - {P: 0.01 atm, A: 1.2e+19, b: -1.9533, Ea: 239.0} - {P: 0.1 atm, A: 4.1e+19, b: -2.1007, Ea: 625.0} - {P: 1.0 atm, A: 7.9e+22, b: -2.9892, Ea: 3863.0} - {P: 10.0 atm, A: 2.8e+24, b: -3.3287, Ea: 7749.0} - {P: 100.0 atm, A: 4.7e+18, b: -1.5805, Ea: 7999.0} - equation: C2H5 + OH <=> CH3 + CH2OH # Reaction 227 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 9.2e+17, b: -1.2994, Ea: 2505.0} - {P: 0.01 atm, A: 1.1e+18, b: -1.3206, Ea: 2569.0} - {P: 0.1 atm, A: 5.7e+18, b: -1.5182, Ea: 3185.0} - {P: 1.0 atm, A: 6.5e+21, b: -2.3515, Ea: 6023.0} - {P: 10.0 atm, A: 1.9e+25, b: -3.2495, Ea: 1.0576e+04} - {P: 100.0 atm, A: 6.5e+22, b: -2.4427, Ea: 1.2647e+04} - equation: C2H5 + HO2 <=> CH3CH2O + OH # Reaction 228 rate-constant: {A: 3.1e+13, b: 0.0, Ea: 0.0} - equation: C2H5 + O2 <=> CH3CH2OO # Reaction 229 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0001 atm, A: 1.3e+42, b: -11.12, Ea: 5137.0} - {P: 0.0003 atm, A: 2.0e+43, b: -11.3, Ea: 5485.0} - {P: 0.001 atm, A: 1.2e+44, b: -11.36, Ea: 5850.0} - {P: 0.003 atm, A: 3.2e+44, b: -11.32, Ea: 6198.0} - {P: 0.01 atm, A: 1.3e+45, b: -11.33, Ea: 6761.0} - {P: 0.03 atm, A: 1.2e+45, b: -11.15, Ea: 7163.0} - {P: 0.1 atm, A: 4.3e+44, b: -10.83, Ea: 7564.0} - {P: 0.3 atm, A: 4.9e+43, b: -10.37, Ea: 7810.0} - {P: 1.0 atm, A: 4.0e+42, b: -9.86, Ea: 8124.0} - {P: 3.0 atm, A: 1.2e+40, b: -8.95, Ea: 7857.0} - {P: 10.0 atm, A: 2.2e+37, b: -7.95, Ea: 7525.0} - {P: 30.0 atm, A: 1.6e+34, b: -6.88, Ea: 6913.0} - {P: 100.0 atm, A: 1.6e+30, b: -5.56, Ea: 5909.0} - equation: C2H5 + O2 <=> C2H4 + HO2 # Reaction 230 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0001 atm, A: 9.1, b: 2.87, Ea: -5099.0} - {P: 0.0003 atm, A: 12.0, b: 2.84, Ea: -5029.0} - {P: 0.001 atm, A: 28.0, b: 2.73, Ea: -4780.0} - {P: 0.003 atm, A: 110.0, b: 2.56, Ea: -4380.0} - {P: 0.01 atm, A: 960.0, b: 2.3, Ea: -3735.0} - {P: 0.03 atm, A: 1.3e+04, b: 1.98, Ea: -2933.0} - {P: 0.1 atm, A: 4.9e+05, b: 1.54, Ea: -1790.0} - {P: 0.3 atm, A: 2.4e+07, b: 1.07, Ea: -497.7} - {P: 1.0 atm, A: 2.5e+09, b: 0.51, Ea: 1157.0} - {P: 3.0 atm, A: 1.4e+11, b: 0.04, Ea: 2789.0} - {P: 10.0 atm, A: 3.1e+12, b: -0.31, Ea: 4501.0} - {P: 30.0 atm, A: 5.3e+12, b: -0.33, Ea: 5728.0} - {P: 100.0 atm, A: 1.9e+11, b: 0.14, Ea: 6373.0} - equation: C2H5 + O2 <=> CH2CH2OOH # Reaction 231 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0001 atm, A: 3.2e+21, b: -5.53, Ea: -83.5} - {P: 0.0003 atm, A: 4.6e+23, b: -6.12, Ea: 586.3} - {P: 0.001 atm, A: 2.9e+25, b: -6.6, Ea: 1279.0} - {P: 0.003 atm, A: 2.9e+24, b: -6.19, Ea: 1229.0} - {P: 0.01 atm, A: 5.9e+25, b: -6.49, Ea: 2026.0} - {P: 0.03 atm, A: 2.9e+25, b: -6.26, Ea: 2449.0} - {P: 0.1 atm, A: 4.6e+26, b: -6.47, Ea: 3598.0} - {P: 0.3 atm, A: 4.7e+26, b: -6.29, Ea: 4518.0} - {P: 1.0 atm, A: 3.6e+26, b: -6.03, Ea: 5715.0} - {P: 3.0 atm, A: 6.3e+25, b: -5.58, Ea: 6793.0} - {P: 10.0 atm, A: 6.6e+23, b: -4.74, Ea: 7756.0} - {P: 30.0 atm, A: 7.7e+20, b: -3.63, Ea: 8319.0} - {P: 100.0 atm, A: 1.9e+15, b: -1.72, Ea: 8034.0} - equation: C2H5 + O2 <=> cC2H4O + OH # Reaction 232 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0001 atm, A: 1.4e-05, b: 4.2, Ea: -5618.0} - {P: 0.0003 atm, A: 1.9e-05, b: 4.16, Ea: -5537.0} - {P: 0.001 atm, A: 5.0e-05, b: 4.04, Ea: -5260.0} - {P: 0.003 atm, A: 2.3e-04, b: 3.85, Ea: -4825.0} - {P: 0.01 atm, A: 2.6e-03, b: 3.55, Ea: -4121.0} - {P: 0.03 atm, A: 0.052, b: 3.18, Ea: -3238.0} - {P: 0.1 atm, A: 4.1, b: 2.65, Ea: -1928.0} - {P: 0.3 atm, A: 610.0, b: 2.04, Ea: -370.9} - {P: 1.0 atm, A: 4.9e+05, b: 1.22, Ea: 1802.0} - {P: 3.0 atm, A: 5.0e+08, b: 0.39, Ea: 4218.0} - {P: 10.0 atm, A: 8.8e+11, b: -0.49, Ea: 7190.0} - {P: 30.0 atm, A: 1.7e+14, b: -1.09, Ea: 9936.0} - {P: 100.0 atm, A: 9.7e+14, b: -1.22, Ea: 1.25e+04} - equation: C2H6 + HCO <=> C2H5 + CH2O # Reaction 233 rate-constant: {A: 2.3, b: 3.74, Ea: 1.6933e+04} - equation: C2H5 + HCO <=> C2H6 + CO # Reaction 234 rate-constant: {A: 4.3e+13, b: 0.0, Ea: 0.0} - equation: C2H5 + HCO <=> CH3 + CH2CHO # Reaction 235 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 9.2e+17, b: -1.2994, Ea: 2505.0} - {P: 0.01 atm, A: 1.1e+18, b: -1.3206, Ea: 2569.0} - {P: 0.1 atm, A: 5.7e+18, b: -1.5182, Ea: 3185.0} - {P: 1.0 atm, A: 6.5e+21, b: -2.3515, Ea: 6023.0} - {P: 10.0 atm, A: 1.9e+25, b: -3.2495, Ea: 1.0576e+04} - {P: 100.0 atm, A: 6.5e+22, b: -2.4427, Ea: 1.2647e+04} - equation: C2H5 + CH3 <=> C2H4 + CH4 # Reaction 236 rate-constant: {A: 9.0e+11, b: 0.0, Ea: 0.0} - equation: C2H5 + CH3OO <=> CH3CH2O + CH3O # Reaction 237 rate-constant: {A: 5.1e+12, b: 0.0, Ea: -1410.0} - equation: C2H5 + C2H5 <=> C2H6 + C2H4 # Reaction 238 rate-constant: {A: 1.5e+12, b: 0.0, Ea: 0.0} - equation: C2H3 + H (+M) <=> C2H4 (+M) # Reaction 239 type: falloff low-P-rate-constant: {A: 2.1e+24, b: -1.3, Ea: 0.0} high-P-rate-constant: {A: 3.9e+13, b: 0.2, Ea: 0.0} Troe: {A: 0.5, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: C2H4 (+M) <=> H2CC + H2 (+M) # Reaction 240 type: falloff low-P-rate-constant: {A: 7.0e+50, b: -9.31, Ea: 9.99e+04} high-P-rate-constant: {A: 8.0e+12, b: 0.44, Ea: 8.88e+04} Troe: {A: 0.735, T3: 180.0, T1: 1035.0, T2: 5417.0} efficiencies: {H2O: 6.0, AR: 0.7} - equation: C2H4 + H <=> C2H3 + H2 # Reaction 241 rate-constant: {A: 240.0, b: 3.62, Ea: 1.1266e+04} - equation: C2H4 + O <=> CH3 + HCO # Reaction 242 rate-constant: {A: 5.9e+17, b: -1.717, Ea: 2891.0} - equation: C2H4 + O <=> CH3 + H + CO # Reaction 243 rate-constant: {A: 3.5e+27, b: -4.19, Ea: 2.2819e+04} - equation: C2H4 + O <=> CH3CO + H # Reaction 244 rate-constant: {A: 8.7e+12, b: -0.4843, Ea: 1957.0} - equation: C2H4 + O <=> CH2CHO + H # Reaction 245 rate-constant: {A: 9.2e+09, b: 0.9475, Ea: 1723.0} - equation: C2H4 + O <=> CH2 + CH2O # Reaction 246 rate-constant: {A: 5.8e+06, b: 1.991, Ea: 2858.0} - equation: C2H4 + O <=> CH2CO + H2 # Reaction 247 rate-constant: {A: 1.1e+17, b: -1.831, Ea: 3177.0} - equation: C2H4 + OH <=> C2H3 + H2O # Reaction 248 rate-constant: {A: 0.13, b: 4.2, Ea: -860.0} - equation: C2H4 + OH <=> CH3 + CH2O # Reaction 249 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.4, b: 2.92, Ea: -1733.0} - {P: 0.025 atm, A: 32.0, b: 2.71, Ea: -1172.0} - {P: 0.1 atm, A: 560.0, b: 2.36, Ea: -181.0} - {P: 1.0 atm, A: 1.8e+05, b: 1.68, Ea: 2061.0} - {P: 10.0 atm, A: 2.4e+09, b: 0.56, Ea: 6007.0} - {P: 100.0 atm, A: 2.8e+13, b: -0.5, Ea: 1.1455e+04} - equation: C2H4 + OH <=> CH3CHO + H # Reaction 250 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.4e-07, b: 5.3, Ea: -2051.0} - {P: 0.025 atm, A: 8.7e-05, b: 4.57, Ea: -618.0} - {P: 0.1 atm, A: 0.4, b: 3.54, Ea: 1882.0} - {P: 1.0 atm, A: 0.024, b: 3.91, Ea: 1723.0} - {P: 10.0 atm, A: 8.3e+08, b: 1.01, Ea: 1.0507e+04} - {P: 100.0 atm, A: 6.8e+09, b: 0.81, Ea: 1.3867e+04} - equation: C2H4 + OH <=> CH2CHOH + H # Reaction 251 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.0e+04, b: 2.6, Ea: 4121.0} - {P: 0.025 atm, A: 1.1e+04, b: 2.6, Ea: 4129.0} - {P: 0.1 atm, A: 1.5e+04, b: 2.56, Ea: 4238.0} - {P: 1.0 atm, A: 3.2e+05, b: 2.19, Ea: 5256.0} - {P: 10.0 atm, A: 1.9e+08, b: 1.43, Ea: 7829.0} - {P: 100.0 atm, A: 8.6e+10, b: 0.75, Ea: 1.1491e+04} - equation: C2H4 + OH <=> CH2CH2OH # Reaction 252 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.4e+47, b: -11.64, Ea: 1.1099e+04} - {P: 0.025 atm, A: 6.0e+37, b: -9.76, Ea: 1995.0} - {P: 0.1 atm, A: 6.0e+37, b: -9.65, Ea: 2363.0} - {P: 1.0 atm, A: 6.0e+37, b: -8.14, Ea: 8043.0} - {P: 10.0 atm, A: 6.0e+37, b: -7.77, Ea: 1.0736e+04} - {P: 100.0 atm, A: 6.0e+37, b: -7.44, Ea: 1.4269e+04} - equation: C2H4 + OH <=> CH2CH2OH # Reaction 253 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.4e+47, b: -11.64, Ea: 1.1099e+04} - {P: 0.025 atm, A: 5.0e+37, b: -8.68, Ea: 5355.0} - {P: 0.1 atm, A: 2.6e+35, b: -7.79, Ea: 5017.0} - {P: 1.0 atm, A: 7.3e+31, b: -6.91, Ea: 2855.0} - {P: 10.0 atm, A: 3.0e+26, b: -4.87, Ea: 2297.0} - {P: 100.0 atm, A: 2.8e+19, b: -2.41, Ea: 1011.0} - equation: C2H4 + HO2 <=> CH2CH2OOH # Reaction 254 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0001 atm, A: 3.1e+20, b: -5.24, Ea: 1.103e+04} - {P: 0.0003 atm, A: 2.7e+20, b: -5.14, Ea: 1.143e+04} - {P: 0.001 atm, A: 2.6e+21, b: -5.24, Ea: 1.219e+04} - {P: 0.003 atm, A: 1.2e+23, b: -5.53, Ea: 1.299e+04} - {P: 0.01 atm, A: 6.7e+25, b: -6.13, Ea: 1.414e+04} - {P: 0.03 atm, A: 2.2e+27, b: -6.37, Ea: 1.498e+04} - {P: 0.1 atm, A: 8.7e+28, b: -6.6, Ea: 1.601e+04} - {P: 0.3 atm, A: 3.4e+29, b: -6.55, Ea: 1.68e+04} - {P: 1.0 atm, A: 2.7e+29, b: -6.27, Ea: 1.753e+04} - {P: 3.0 atm, A: 2.2e+28, b: -5.71, Ea: 1.794e+04} - {P: 10.0 atm, A: 1.5e+26, b: -4.82, Ea: 1.807e+04} - {P: 30.0 atm, A: 2.1e+23, b: -3.77, Ea: 1.782e+04} - {P: 100.0 atm, A: 4.4e+18, b: -2.17, Ea: 1.684e+04} - equation: C2H4 + HO2 <=> cC2H4O + OH # Reaction 255 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0001 atm, A: 1.0e+04, b: 2.42, Ea: 1.205e+04} - {P: 0.0003 atm, A: 1.1e+04, b: 2.41, Ea: 1.206e+04} - {P: 0.001 atm, A: 1.1e+04, b: 2.41, Ea: 1.207e+04} - {P: 0.003 atm, A: 1.2e+04, b: 2.41, Ea: 1.208e+04} - {P: 0.01 atm, A: 1.3e+04, b: 2.39, Ea: 1.212e+04} - {P: 0.03 atm, A: 2.0e+04, b: 2.34, Ea: 1.223e+04} - {P: 0.1 atm, A: 6.0e+04, b: 2.2, Ea: 1.253e+04} - {P: 0.3 atm, A: 4.2e+05, b: 1.96, Ea: 1.309e+04} - {P: 1.0 atm, A: 1.3e+07, b: 1.54, Ea: 1.412e+04} - {P: 3.0 atm, A: 9.3e+08, b: 1.02, Ea: 1.547e+04} - {P: 10.0 atm, A: 1.1e+11, b: 0.45, Ea: 1.722e+04} - {P: 30.0 atm, A: 2.1e+12, b: 0.11, Ea: 1.875e+04} - {P: 100.0 atm, A: 2.2e+12, b: 0.16, Ea: 1.998e+04} - equation: C2H4 + O2 <=> C2H3 + HO2 # Reaction 256 rate-constant: {A: 7.1e+13, b: 0.0, Ea: 6.001e+04} - equation: C2H4 + CH3 <=> C2H3 + CH4 # Reaction 257 duplicate: true rate-constant: {A: 980.0, b: 2.947, Ea: 1.5148e+04} - equation: C2H4 + CH3 <=> C2H3 + CH4 # Reaction 258 duplicate: true rate-constant: {A: 8.1e-05, b: 4.417, Ea: 8836.0} - equation: C2H4 + CH2(S) <=> C2H3 + CH3 # Reaction 259 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.8e+19, b: -1.95, Ea: 6787.0} - {P: 0.1 atm, A: 1.7e+19, b: -1.8, Ea: 4310.0} - {P: 1.0 atm, A: 4.2e+24, b: -3.19, Ea: 9759.0} - {P: 10.0 atm, A: 7.9e+24, b: -3.08, Ea: 1.3894e+04} - {P: 100.0 atm, A: 7.4e+29, b: -4.28, Ea: 2.3849e+04} - equation: C2H4 + CH2(S) <=> C2H3 + CH3 # Reaction 260 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.3e+12, b: 0.19, Ea: -110.0} - {P: 0.1 atm, A: 2.3e+11, b: 0.54, Ea: 48.0} - {P: 1.0 atm, A: 4.9e+09, b: 1.02, Ea: 600.0} - {P: 10.0 atm, A: 1.5e+08, b: 1.33, Ea: 1228.0} - {P: 100.0 atm, A: 8.1e+10, b: 0.55, Ea: 5507.0} - equation: C2H2 + H (+M) <=> C2H3 (+M) # Reaction 261 type: falloff low-P-rate-constant: {A: 6.3e+31, b: -4.664, Ea: 3780.0} high-P-rate-constant: {A: 1.7e+10, b: 1.266, Ea: 2709.0} Troe: {A: 0.7878, T3: -1.0212e+04, T1: 1.0e-30} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: C2H3 + H <=> C2H2 + H2 # Reaction 262 rate-constant: {A: 4.5e+13, b: 0.0, Ea: 0.0} - equation: C2H3 + O <=> CH2CO + H # Reaction 263 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: C2H3 + OH <=> C2H2 + H2O # Reaction 264 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C2H3 + HO2 <=> CH2CHO + OH # Reaction 265 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: C2H3 + O2 <=> CH2CHOO # Reaction 266 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.6e+24, b: -5.45, Ea: 9662.0} - {P: 0.1 atm, A: 3.5e+56, b: -15.01, Ea: 1.916e+04} - {P: 0.316 atm, A: 1.3e+64, b: -16.97, Ea: 2.129e+04} - {P: 1.0 atm, A: 3.3e+61, b: -15.79, Ea: 2.015e+04} - {P: 3.16 atm, A: 7.3e+53, b: -13.11, Ea: 1.73e+04} - {P: 10.0 atm, A: 4.2e+48, b: -11.21, Ea: 1.6e+04} - {P: 31.6 atm, A: 2.3e+43, b: -9.38, Ea: 1.481e+04} - {P: 100.0 atm, A: 3.4e+39, b: -8.04, Ea: 1.436e+04} - equation: C2H3 + O2 <=> CH2CHOO # Reaction 267 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.8e-09, b: 4.15, Ea: -4707.0} - {P: 0.1 atm, A: 2.4e+22, b: -4.52, Ea: 2839.0} - {P: 0.316 atm, A: 2.0e+26, b: -5.43, Ea: 2725.0} - {P: 1.0 atm, A: 6.1e+28, b: -5.89, Ea: 3154.0} - {P: 3.16 atm, A: 2.1e+29, b: -5.8, Ea: 3520.0} - {P: 10.0 atm, A: 3.5e+28, b: -5.37, Ea: 3636.0} - {P: 31.6 atm, A: 3.3e+27, b: -4.95, Ea: 3610.0} - {P: 100.0 atm, A: 1.0e+27, b: -4.72, Ea: 3680.0} - equation: C2H3 + O2 <=> CHCHO + OH # Reaction 268 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.9e+11, b: -0.11, Ea: 2131.0} - {P: 0.1 atm, A: 1.1e+09, b: 0.55, Ea: 46.0} - {P: 0.316 atm, A: 8.5e+08, b: 0.56, Ea: 1.0} - {P: 1.0 atm, A: 2.8e+14, b: -1.83, Ea: 5.0} - {P: 3.16 atm, A: 2.6e+20, b: -2.84, Ea: 7530.0} - {P: 10.0 atm, A: 9.2e+14, b: -2.26, Ea: 0.0} - {P: 31.6 atm, A: 6.1e+25, b: -4.21, Ea: 1.305e+04} - {P: 100.0 atm, A: 1.7e+30, b: -5.35, Ea: 1.843e+04} - equation: C2H3 + O2 <=> CHCHO + OH # Reaction 269 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 9.9e+11, b: -0.66, Ea: -1.0} - {P: 0.1 atm, A: 6.9e+14, b: -1.16, Ea: 4542.0} - {P: 0.316 atm, A: 2.8e+13, b: -0.72, Ea: 3479.0} - {P: 1.0 atm, A: 5.0e+11, b: -0.14, Ea: 1995.0} - {P: 3.16 atm, A: 2.4e+10, b: 0.23, Ea: 1573.0} - {P: 10.0 atm, A: 1.7e+14, b: -0.82, Ea: 4450.0} - {P: 31.6 atm, A: 1.4e+11, b: 0.05, Ea: 3774.0} - {P: 100.0 atm, A: 3.2e+11, b: -0.02, Ea: 5338.0} - equation: C2H3 + O2 <=> CH2CO + OH # Reaction 270 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 870.0, b: 2.41, Ea: 6061.0} - {P: 0.1 atm, A: 890.0, b: 2.41, Ea: 6078.0} - {P: 0.316 atm, A: 940.0, b: 2.4, Ea: 6112.0} - {P: 1.0 atm, A: 1100.0, b: 2.39, Ea: 6180.0} - {P: 3.16 atm, A: 1100.0, b: 2.38, Ea: 6179.0} - {P: 10.0 atm, A: 1400.0, b: 2.36, Ea: 6074.0} - {P: 31.6 atm, A: 2.5e+06, b: 1.42, Ea: 8480.0} - {P: 100.0 atm, A: 1.7e+10, b: 0.36, Ea: 1.201e+04} - equation: C2H3 + O2 <=> CH2CO + OH # Reaction 271 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 0.18, b: 3.12, Ea: 1331.0} - {P: 0.1 atm, A: 0.21, b: 3.11, Ea: 1383.0} - {P: 0.316 atm, A: 0.27, b: 3.08, Ea: 1496.0} - {P: 1.0 atm, A: 0.53, b: 3.01, Ea: 1777.0} - {P: 3.16 atm, A: 1.4, b: 2.9, Ea: 2225.0} - {P: 10.0 atm, A: 0.42, b: 2.93, Ea: 2052.0} - {P: 31.6 atm, A: 1.2e-04, b: 4.21, Ea: 2043.0} - {P: 100.0 atm, A: 1.3e-03, b: 3.97, Ea: 3414.0} - equation: C2H3 + O2 <=> CH2CHO + O # Reaction 272 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 7.2e+20, b: -2.67, Ea: 6742.0} - {P: 0.1 atm, A: 7.0e+20, b: -2.67, Ea: 6713.0} - {P: 0.316 atm, A: 9.0e+20, b: -2.7, Ea: 6724.0} - {P: 1.0 atm, A: 6.5e+20, b: -2.65, Ea: 6489.0} - {P: 3.16 atm, A: 4.1e+20, b: -2.53, Ea: 6406.0} - {P: 10.0 atm, A: 1.6e+23, b: -3.22, Ea: 8697.0} - {P: 31.6 atm, A: 2.9e+25, b: -3.77, Ea: 1.153e+04} - {P: 100.0 atm, A: 9.3e+25, b: -3.8, Ea: 1.391e+04} - equation: C2H3 + O2 <=> CH2CHO + O # Reaction 273 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.2e+10, b: 0.62, Ea: -278.0} - {P: 0.1 atm, A: 1.3e+10, b: 0.62, Ea: -248.0} - {P: 0.316 atm, A: 1.5e+10, b: 0.6, Ea: -163.0} - {P: 1.0 atm, A: 1.8e+10, b: 0.58, Ea: 38.0} - {P: 3.16 atm, A: 8.9e+09, b: 0.67, Ea: 248.0} - {P: 10.0 atm, A: 6.7e+09, b: 0.72, Ea: 778.0} - {P: 31.6 atm, A: 1.4e+09, b: 0.92, Ea: 1219.0} - {P: 100.0 atm, A: 7.1e+07, b: 1.28, Ea: 1401.0} - equation: C2H3 + O2 <=> C2H2 + HO2 # Reaction 274 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.1e+07, b: 1.28, Ea: 3322.0} - {P: 0.1 atm, A: 7.8e+06, b: 1.33, Ea: 3216.0} - {P: 0.316 atm, A: 1.2e+07, b: 1.27, Ea: 3311.0} - {P: 1.0 atm, A: 2.2e+07, b: 1.19, Ea: 3367.0} - {P: 3.16 atm, A: 1.1e+08, b: 1.0, Ea: 3695.0} - {P: 10.0 atm, A: 1.3e+11, b: 0.12, Ea: 5872.0} - {P: 31.6 atm, A: 1.2e+09, b: 0.82, Ea: 5617.0} - {P: 100.0 atm, A: 1.1e+17, b: -1.45, Ea: 1.223e+04} - equation: C2H3 + O2 <=> C2H2 + HO2 # Reaction 275 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 48.0, b: 2.75, Ea: -796.0} - {P: 0.1 atm, A: 52.0, b: 2.73, Ea: -768.0} - {P: 0.316 atm, A: 56.0, b: 2.73, Ea: -659.0} - {P: 1.0 atm, A: 46.0, b: 2.76, Ea: -493.0} - {P: 3.16 atm, A: 3.8, b: 3.07, Ea: -601.0} - {P: 10.0 atm, A: 5.5, b: 3.07, Ea: 86.0} - {P: 31.6 atm, A: 4.5e+08, b: 0.0, Ea: 955.0} - {P: 100.0 atm, A: 20.0, b: 2.94, Ea: 1847.0} - equation: C2H3 + O2 <=> OCHCHO + H # Reaction 276 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.8e+14, b: -1.03, Ea: 912.0} - {P: 0.1 atm, A: 5.0e+14, b: -1.04, Ea: 923.0} - {P: 0.316 atm, A: 6.4e+14, b: -1.07, Ea: 983.0} - {P: 1.0 atm, A: 3.7e+15, b: -1.29, Ea: 1441.0} - {P: 3.16 atm, A: 2.4e+18, b: -2.13, Ea: 3234.0} - {P: 10.0 atm, A: 1.3e+15, b: -1.09, Ea: 2393.0} - {P: 31.6 atm, A: 3.6e+33, b: -6.5, Ea: 1.491e+04} - {P: 100.0 atm, A: 3.3e+31, b: -5.76, Ea: 1.625e+04} - equation: C2H3 + O2 <=> OCHCHO + H # Reaction 277 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.8e-04, b: 4.04, Ea: -7019.0} - {P: 0.1 atm, A: 3.5e-04, b: 4.01, Ea: -6978.0} - {P: 0.316 atm, A: 9.7e-04, b: 3.89, Ea: -6768.0} - {P: 1.0 atm, A: 0.5, b: 3.15, Ea: -5496.0} - {P: 3.16 atm, A: 1.3e+05, b: 1.67, Ea: -2931.0} - {P: 10.0 atm, A: 4.5e+15, b: -3.08, Ea: -4836.0} - {P: 31.6 atm, A: 3.8e+10, b: 0.22, Ea: 941.0} - {P: 100.0 atm, A: 2.8e+08, b: 0.83, Ea: 858.0} - equation: C2H3 + O2 <=> CH2O + HCO # Reaction 278 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.4e+36, b: -7.6, Ea: 1.261e+04} - {P: 0.1 atm, A: 2.6e+15, b: -1.28, Ea: 513.0} - {P: 0.316 atm, A: 2.2e+36, b: -7.57, Ea: 1.249e+04} - {P: 1.0 atm, A: 3.0e+35, b: -7.32, Ea: 1.182e+04} - {P: 3.16 atm, A: 1.6e+36, b: -7.47, Ea: 1.246e+04} - {P: 10.0 atm, A: 5.8e+35, b: -7.2, Ea: 1.343e+04} - {P: 31.6 atm, A: 3.5e+20, b: -2.57, Ea: 5578.0} - {P: 100.0 atm, A: 3.0e+33, b: -6.28, Ea: 1.6e+04} - equation: C2H3 + O2 <=> CH2O + HCO # Reaction 279 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.4e+36, b: -7.6, Ea: 1.261e+04} - {P: 0.1 atm, A: 2.5e+15, b: -1.28, Ea: 513.0} - {P: 0.316 atm, A: 5.3e+15, b: -1.29, Ea: 521.0} - {P: 1.0 atm, A: 6.8e+15, b: -1.31, Ea: 646.0} - {P: 3.16 atm, A: 1.1e+16, b: -1.36, Ea: 1066.0} - {P: 10.0 atm, A: 2.8e+15, b: -1.18, Ea: 1429.0} - {P: 31.6 atm, A: 1.1e+69, b: -19.23, Ea: 1.476e+04} - {P: 100.0 atm, A: 4.7e+10, b: 0.19, Ea: 831.0} - equation: C2H3 + O2 <=> CH2O + H + CO # Reaction 280 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 6.5e+36, b: -7.6, Ea: 1.264e+04} - {P: 0.1 atm, A: 6.3e+36, b: -7.6, Ea: 1.261e+04} - {P: 0.316 atm, A: 5.1e+36, b: -7.57, Ea: 1.249e+04} - {P: 1.0 atm, A: 7.1e+35, b: -7.32, Ea: 1.182e+04} - {P: 3.16 atm, A: 3.7e+36, b: -7.47, Ea: 1.246e+04} - {P: 10.0 atm, A: 1.3e+36, b: -7.2, Ea: 1.343e+04} - {P: 31.6 atm, A: 8.3e+20, b: -2.57, Ea: 5578.0} - {P: 100.0 atm, A: 7.1e+33, b: -6.28, Ea: 1.6e+04} - equation: C2H3 + O2 <=> CH2O + H + CO # Reaction 281 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.2e+16, b: -1.28, Ea: 515.0} - {P: 0.1 atm, A: 1.2e+16, b: -1.28, Ea: 513.0} - {P: 0.316 atm, A: 1.3e+16, b: -1.29, Ea: 521.0} - {P: 1.0 atm, A: 1.6e+16, b: -1.31, Ea: 646.0} - {P: 3.16 atm, A: 2.4e+16, b: -1.36, Ea: 1066.0} - {P: 10.0 atm, A: 6.6e+15, b: -1.18, Ea: 1429.0} - {P: 31.6 atm, A: 2.7e+69, b: -19.23, Ea: 1.476e+04} - {P: 100.0 atm, A: 1.1e+11, b: 0.19, Ea: 831.0} - equation: C2H3 + O2 <=> CO + CH3O # Reaction 282 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 8.2e+18, b: -2.66, Ea: 3201.0} - {P: 0.1 atm, A: 4.1e+14, b: -1.32, Ea: 886.0} - {P: 0.316 atm, A: 4.3e+14, b: -1.33, Ea: 901.0} - {P: 1.0 atm, A: 1.0e+11, b: -0.33, Ea: -748.0} - {P: 3.16 atm, A: 1.9e+12, b: -3.0, Ea: -8995.0} - {P: 10.0 atm, A: 1.9e+24, b: -5.63, Ea: 2.0} - {P: 31.6 atm, A: 1.1e+18, b: -2.22, Ea: 5178.0} - {P: 100.0 atm, A: 5.8e+32, b: -6.45, Ea: 1.681e+04} - equation: C2H3 + O2 <=> CO + CH3O # Reaction 283 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.3e+09, b: 0.18, Ea: -1717.0} - {P: 0.1 atm, A: 6.0e+11, b: -2.93, Ea: -9564.0} - {P: 0.316 atm, A: 2.9e+11, b: -2.93, Ea: -1.012e+04} - {P: 1.0 atm, A: 5.8e+21, b: -3.54, Ea: 4772.0} - {P: 3.16 atm, A: 5.0e+15, b: -1.62, Ea: 1849.0} - {P: 10.0 atm, A: 9.3e+16, b: -1.96, Ea: 3324.0} - {P: 31.6 atm, A: 1.0e+72, b: -20.69, Ea: 1.586e+04} - {P: 100.0 atm, A: 1.1e+09, b: 0.31, Ea: 1024.0} - equation: C2H3 + O2 <=> CO2 + CH3 # Reaction 284 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.4e+35, b: -7.76, Ea: 1.263e+04} - {P: 0.1 atm, A: 1.7e+35, b: -7.72, Ea: 1.252e+04} - {P: 0.316 atm, A: 4.5e+34, b: -7.55, Ea: 1.214e+04} - {P: 1.0 atm, A: 7.3e+31, b: -6.7, Ea: 1.044e+04} - {P: 3.16 atm, A: 3.6e+35, b: -7.75, Ea: 1.283e+04} - {P: 10.0 atm, A: 2.1e+35, b: -7.53, Ea: 1.405e+04} - {P: 31.6 atm, A: 3.8e+18, b: -2.44, Ea: 5408.0} - {P: 100.0 atm, A: 1.2e+32, b: -6.32, Ea: 1.619e+04} - equation: C2H3 + O2 <=> CO2 + CH3 # Reaction 285 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 6.3e+13, b: -1.16, Ea: 406.0} - {P: 0.1 atm, A: 6.2e+13, b: -1.16, Ea: 401.0} - {P: 0.316 atm, A: 6.1e+13, b: -1.16, Ea: 397.0} - {P: 1.0 atm, A: 5.3e+13, b: -1.14, Ea: 447.0} - {P: 3.16 atm, A: 1.5e+14, b: -1.26, Ea: 988.0} - {P: 10.0 atm, A: 5.0e+13, b: -1.11, Ea: 1409.0} - {P: 31.6 atm, A: 1.4e+70, b: -20.11, Ea: 1.543e+04} - {P: 100.0 atm, A: 9.2e+08, b: 0.25, Ea: 855.0} - equation: C2H3 + CH2O <=> C2H4 + HCO # Reaction 286 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 1.11e+07, b: 1.09, Ea: 1807.2} - {P: 0.01 atm, A: 2.47e+07, b: 0.993, Ea: 1994.9} - {P: 0.1 atm, A: 2.47e+08, b: 0.704, Ea: 2596.2} - {P: 1.0 atm, A: 1.42e+10, b: 0.209, Ea: 3934.2} - {P: 10.0 atm, A: 3.45e+13, b: -0.726, Ea: 6944.3} - {P: 100.0 atm, A: 3.31e+14, b: -0.866, Ea: 1.09657e+04} - {P: 1000.0 atm, A: 16.5, b: 3.17, Ea: 9399.8} - equation: C2H3 + CH2O <=> C2H4 + H + CO # Reaction 287 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 2.3e+16, b: -1.269, Ea: 2.0617e+04} - {P: 0.01 atm, A: 5.2e+16, b: -1.366, Ea: 2.0805e+04} - {P: 0.1 atm, A: 1.5e+18, b: -1.769, Ea: 2.2524e+04} - {P: 1.0 atm, A: 8.5e+19, b: -2.264, Ea: 2.3862e+04} - {P: 10.0 atm, A: 4.4e+23, b: -3.278, Ea: 2.7795e+04} - {P: 100.0 atm, A: 4.2e+24, b: -3.418, Ea: 3.1817e+04} - {P: 1000.0 atm, A: 2.1e+11, b: 0.618, Ea: 3.0251e+04} - equation: C2H3 + HCO <=> C2H4 + CO # Reaction 288 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: C2H3 + CH3 <=> C2H2 + CH4 # Reaction 289 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -765.0} - equation: C2H3 + CH <=> CH2 + C2H2 # Reaction 290 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C2H3 + CH3OH <=> C2H4 + CH3O # Reaction 291 rate-constant: {A: 1.0e+06, b: 1.51, Ea: 2.663e+04} - equation: C2H3 + CH3OH <=> C2H4 + CH2OH # Reaction 292 rate-constant: {A: 0.018, b: 4.02, Ea: 2.337e+04} - equation: C2H3 + C2H3 <=> C2H4 + C2H2 # Reaction 293 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} - equation: C2H3 + C2H <=> C2H2 + C2H2 # Reaction 294 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: C2H2 + M <=> C2H + H + M # Reaction 295 type: three-body rate-constant: {A: 9.1e+30, b: -3.7, Ea: 1.27138e+05} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: C2H2 (+M) <=> H2CC (+M) # Reaction 296 type: falloff low-P-rate-constant: {A: 2.5e+15, b: -0.64, Ea: 4.97e+04} high-P-rate-constant: {A: 1.8e+04, b: 3.51, Ea: 4.33e+04} Troe: {A: 0.5, T3: 1.0e-30, T1: 1.0e+30} - equation: C2H + H2 <=> C2H2 + H # Reaction 297 rate-constant: {A: 4.1e+05, b: 2.39, Ea: 864.0} - equation: C2H2 + O <=> HCCO + H # Reaction 298 rate-constant: {A: 1.4e+07, b: 2.0, Ea: 1900.0} - equation: C2H2 + O <=> CH2 + CO # Reaction 299 rate-constant: {A: 6.1e+06, b: 2.0, Ea: 1900.0} - equation: C2H2 + OH <=> CH3 + CO # Reaction 300 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.8e+05, b: 1.68, Ea: -330.0} - {P: 0.025 atm, A: 4.4e+06, b: 1.4, Ea: 227.0} - {P: 0.1 atm, A: 7.7e+07, b: 1.05, Ea: 1115.0} - {P: 1.0 atm, A: 1.3e+09, b: 0.73, Ea: 2579.0} - {P: 10.0 atm, A: 4.3e+08, b: 0.92, Ea: 3736.0} - {P: 100.0 atm, A: 8.3e+05, b: 1.77, Ea: 4697.0} - equation: C2H2 + OH <=> HCCOH + H # Reaction 301 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.8e+05, b: 2.28, Ea: 1.2419e+04} - {P: 0.025 atm, A: 7.5e+05, b: 2.16, Ea: 1.2547e+04} - {P: 0.1 atm, A: 1.8e+06, b: 2.04, Ea: 1.2669e+04} - {P: 1.0 atm, A: 2.4e+06, b: 2.0, Ea: 1.2713e+04} - {P: 10.0 atm, A: 3.2e+06, b: 1.97, Ea: 1.281e+04} - {P: 100.0 atm, A: 7.4e+06, b: 1.89, Ea: 1.3603e+04} - equation: C2H2 + OH <=> CHCHOH # Reaction 302 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.9e+64, b: -18.57, Ea: 1.0009e+04} - {P: 0.025 atm, A: 4.7e+59, b: -16.87, Ea: 9087.0} - {P: 0.1 atm, A: 1.2e+28, b: -5.56, Ea: 3724.0} - {P: 1.0 atm, A: 1.9e+44, b: -11.38, Ea: 6299.0} - {P: 10.0 atm, A: 1.5e+24, b: -4.06, Ea: 3261.0} - {P: 100.0 atm, A: 6.2e+20, b: -2.8, Ea: 2831.0} - equation: C2H2 + OH <=> CHCHOH # Reaction 303 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.6e+33, b: -7.36, Ea: 6392.0} - {P: 0.025 atm, A: 4.4e+32, b: -7.02, Ea: 5933.0} - {P: 0.1 atm, A: 6.4e+42, b: -9.96, Ea: 1.1737e+04} - {P: 1.0 atm, A: 3.5e+31, b: -6.2, Ea: 6635.0} - {P: 10.0 atm, A: 4.5e+31, b: -5.92, Ea: 8761.0} - {P: 100.0 atm, A: 1.6e+29, b: -4.91, Ea: 9734.0} - equation: C2H2 + OH <=> CH2CO + H # Reaction 304 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1700.0, b: 2.56, Ea: -844.0} - {P: 0.025 atm, A: 1.5e+04, b: 2.28, Ea: -292.0} - {P: 0.1 atm, A: 3.0e+05, b: 1.92, Ea: 598.0} - {P: 1.0 atm, A: 7.5e+06, b: 1.55, Ea: 2106.0} - {P: 10.0 atm, A: 5.1e+06, b: 1.65, Ea: 3400.0} - {P: 100.0 atm, A: 1.5e+04, b: 2.45, Ea: 4477.0} - equation: C2H2 + OH <=> C2H + H2O # Reaction 305 rate-constant: {A: 2.6e+06, b: 2.14, Ea: 1.706e+04} - equation: C2H2 + HO2 <=> CH2CHOO # Reaction 306 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.0e+06, b: -1.02, Ea: 9152.0} - {P: 0.1 atm, A: 6.0e+17, b: -3.82, Ea: 1.079e+04} - {P: 0.316 atm, A: 2.5e+48, b: -12.82, Ea: 2.522e+04} - {P: 1.0 atm, A: 4.1e+50, b: -13.07, Ea: 2.722e+04} - {P: 3.16 atm, A: 9.1e+46, b: -11.57, Ea: 2.688e+04} - {P: 10.0 atm, A: 4.6e+43, b: -10.24, Ea: 2.693e+04} - {P: 31.6 atm, A: 5.6e+38, b: -8.49, Ea: 2.621e+04} - {P: 100.0 atm, A: 2.5e+35, b: -7.26, Ea: 2.639e+04} - equation: C2H2 + HO2 <=> CH2CHOO # Reaction 307 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.9e+26, b: -8.34, Ea: 9249.0} - {P: 0.1 atm, A: 5.3e+129, b: -41.74, Ea: 3.593e+04} - {P: 0.316 atm, A: 2.0e+18, b: -3.67, Ea: 1.048e+04} - {P: 1.0 atm, A: 4.9e+21, b: -4.37, Ea: 1.222e+04} - {P: 3.16 atm, A: 1.9e+22, b: -4.28, Ea: 1.308e+04} - {P: 10.0 atm, A: 2.1e+21, b: -3.78, Ea: 1.338e+04} - {P: 31.6 atm, A: 1.4e+20, b: -3.3, Ea: 1.341e+04} - {P: 100.0 atm, A: 1.4e+19, b: -2.91, Ea: 1.342e+04} - equation: C2H2 + HO2 <=> CHCHO + OH # Reaction 308 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.5e+09, b: 0.91, Ea: 1.85e+04} - {P: 0.1 atm, A: 5.9e+09, b: 0.9, Ea: 1.855e+04} - {P: 0.316 atm, A: 6.8e+09, b: 0.88, Ea: 1.864e+04} - {P: 1.0 atm, A: 1.6e+10, b: 0.77, Ea: 1.904e+04} - {P: 3.16 atm, A: 3.5e+09, b: 0.99, Ea: 1.881e+04} - {P: 10.0 atm, A: 5.4e+10, b: 0.61, Ea: 2.074e+04} - {P: 31.6 atm, A: 3.7e+08, b: 1.23, Ea: 1.596e+04} - {P: 100.0 atm, A: 1.5e+11, b: 0.48, Ea: 1.773e+04} - equation: C2H2 + HO2 <=> CHCHO + OH # Reaction 309 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.4e+07, b: 1.54, Ea: 1.469e+04} - {P: 0.1 atm, A: 2.5e+07, b: 1.54, Ea: 1.47e+04} - {P: 0.316 atm, A: 2.6e+07, b: 1.54, Ea: 1.473e+04} - {P: 1.0 atm, A: 2.5e+07, b: 1.56, Ea: 1.479e+04} - {P: 3.16 atm, A: 1.5e+08, b: 1.32, Ea: 1.509e+04} - {P: 10.0 atm, A: 1.6e+08, b: 1.36, Ea: 1.542e+04} - {P: 31.6 atm, A: 1.7e+07, b: 1.59, Ea: 1.591e+04} - {P: 100.0 atm, A: 7.2e+06, b: 1.73, Ea: 1.602e+04} - equation: C2H2 + HO2 <=> CH2CO + OH # Reaction 310 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 6.3e-07, b: 4.75, Ea: 1.553e+04} - {P: 0.1 atm, A: 6.7e-07, b: 4.74, Ea: 1.555e+04} - {P: 0.316 atm, A: 4.2e-07, b: 4.81, Ea: 1.541e+04} - {P: 1.0 atm, A: 5.3e-07, b: 4.78, Ea: 1.546e+04} - {P: 3.16 atm, A: 1.0e-06, b: 4.69, Ea: 1.564e+04} - {P: 10.0 atm, A: 4.7e-05, b: 4.22, Ea: 1.678e+04} - {P: 31.6 atm, A: 0.9, b: 2.97, Ea: 1.973e+04} - {P: 100.0 atm, A: 3600.0, b: 1.97, Ea: 2.301e+04} - equation: C2H2 + HO2 <=> CH2CO + OH # Reaction 311 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.3e-14, b: 6.58, Ea: 1.027e+04} - {P: 0.1 atm, A: 1.3e-14, b: 6.59, Ea: 1.033e+04} - {P: 0.316 atm, A: 4.0e-14, b: 6.36, Ea: 1.027e+04} - {P: 1.0 atm, A: 3.3e-15, b: 6.7, Ea: 1.009e+04} - {P: 3.16 atm, A: 8.7e-21, b: 8.3, Ea: 8107.0} - {P: 10.0 atm, A: 8.4e-22, b: 8.76, Ea: 8804.0} - {P: 31.6 atm, A: 6.9e-14, b: 6.67, Ea: 1.313e+04} - {P: 100.0 atm, A: 6.6e-12, b: 6.15, Ea: 1.473e+04} - equation: C2H2 + HO2 <=> CH2CHO + O # Reaction 312 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.5, b: 1.19, Ea: 1.288e+04} - {P: 0.1 atm, A: 1.1e+08, b: 0.77, Ea: 1.36e+04} - {P: 0.316 atm, A: 1.2e+07, b: 1.09, Ea: 1.305e+04} - {P: 1.0 atm, A: 3.0e+07, b: 0.98, Ea: 1.331e+04} - {P: 3.16 atm, A: 2.0e+74, b: -16.33, Ea: 1.092e+05} - {P: 10.0 atm, A: 7.5e+14, b: -1.17, Ea: 1.835e+04} - {P: 31.6 atm, A: 8.6e+18, b: -2.27, Ea: 2.223e+04} - {P: 100.0 atm, A: 5.8e+18, b: -2.09, Ea: 2.435e+04} - equation: C2H2 + HO2 <=> CH2CHO + O # Reaction 313 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.9e-04, b: 4.16, Ea: 7736.0} - {P: 0.1 atm, A: 6100.0, b: 3.81, Ea: 8394.0} - {P: 0.316 atm, A: 5.4e-04, b: 4.09, Ea: 8044.0} - {P: 1.0 atm, A: 2.5e-04, b: 4.19, Ea: 8203.0} - {P: 3.16 atm, A: 6.6e+04, b: 1.85, Ea: 1.236e+04} - {P: 10.0 atm, A: 0.29, b: 3.38, Ea: 1.059e+04} - {P: 31.6 atm, A: 2.0, b: 3.17, Ea: 1.174e+04} - {P: 100.0 atm, A: 0.11, b: 3.52, Ea: 1.198e+04} - equation: C2H2 + HO2 <=> OCHCHO + H # Reaction 314 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 8.5e+07, b: 0.48, Ea: 1.172e+04} - {P: 0.1 atm, A: 7.4e+07, b: 0.5, Ea: 1.169e+04} - {P: 0.316 atm, A: 7.9e+07, b: 0.49, Ea: 1.17e+04} - {P: 1.0 atm, A: 2.2e+09, b: 0.06, Ea: 1.247e+04} - {P: 3.16 atm, A: 7.0e+49, b: -10.18, Ea: 7.711e+04} - {P: 10.0 atm, A: 4.1e+16, b: -2.03, Ea: 1.763e+04} - {P: 31.6 atm, A: 9.4e+16, b: -2.03, Ea: 1.959e+04} - {P: 100.0 atm, A: 5.9e+21, b: -3.32, Ea: 2.503e+04} - equation: C2H2 + HO2 <=> OCHCHO + H # Reaction 315 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.4e-06, b: 4.43, Ea: 5578.0} - {P: 0.1 atm, A: 2.0e-06, b: 4.45, Ea: 5564.0} - {P: 0.316 atm, A: 1.8e-06, b: 4.46, Ea: 5654.0} - {P: 1.0 atm, A: 2.2e-05, b: 4.17, Ea: 6416.0} - {P: 3.16 atm, A: 7.7e+05, b: 1.18, Ea: 1.134e+04} - {P: 10.0 atm, A: 0.02, b: 3.38, Ea: 8696.0} - {P: 31.6 atm, A: 6.1e-03, b: 3.53, Ea: 9217.0} - {P: 100.0 atm, A: 0.068, b: 3.27, Ea: 1.076e+04} - equation: C2H2 + HO2 <=> CH2O + HCO # Reaction 316 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.9e+13, b: -1.17, Ea: 1.375e+04} - {P: 0.1 atm, A: 4.3, b: 2.64, Ea: 7253.0} - {P: 0.316 atm, A: 2.6e-06, b: 4.34, Ea: 4525.0} - {P: 1.0 atm, A: 3.3e+102, b: -24.18, Ea: 1.386e+05} - {P: 3.16 atm, A: 5.2e+15, b: -1.75, Ea: 1.518e+04} - {P: 10.0 atm, A: 7.3e+35, b: -7.77, Ea: 2.697e+04} - {P: 31.6 atm, A: 1.8e+28, b: -5.3, Ea: 2.513e+04} - {P: 100.0 atm, A: 2.5e+16, b: -1.7, Ea: 2.003e+04} - equation: C2H2 + HO2 <=> CH2O + HCO # Reaction 317 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 8.4, b: 2.56, Ea: 7382.0} - {P: 0.1 atm, A: 1.6e+13, b: -1.05, Ea: 1.352e+04} - {P: 0.316 atm, A: 6.9e+09, b: 0.0, Ea: 1.172e+04} - {P: 1.0 atm, A: 8.1e+07, b: 0.6, Ea: 1.085e+04} - {P: 3.16 atm, A: 3.5, b: 2.69, Ea: 8025.0} - {P: 10.0 atm, A: 9.8e+06, b: 0.91, Ea: 1.171e+04} - {P: 31.6 atm, A: 1.8e+04, b: 1.7, Ea: 1.125e+04} - {P: 100.0 atm, A: 4.3e-06, b: 4.31, Ea: 6829.0} - equation: C2H2 + HO2 <=> CH2O + H + CO # Reaction 318 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 9.1e+13, b: -1.17, Ea: 1.375e+04} - {P: 0.1 atm, A: 9.9, b: 2.64, Ea: 7253.0} - {P: 0.316 atm, A: 6.1e-06, b: 4.34, Ea: 4525.0} - {P: 1.0 atm, A: 7.8e+102, b: -24.18, Ea: 1.386e+05} - {P: 3.16 atm, A: 1.2e+16, b: -1.75, Ea: 1.518e+04} - {P: 10.0 atm, A: 1.7e+36, b: -7.77, Ea: 2.697e+04} - {P: 31.6 atm, A: 4.1e+28, b: -5.3, Ea: 2.513e+04} - {P: 100.0 atm, A: 5.8e+16, b: -1.7, Ea: 2.003e+04} - equation: C2H2 + HO2 <=> CH2O + H + CO # Reaction 319 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 20.0, b: 2.56, Ea: 7382.0} - {P: 0.1 atm, A: 3.6e+13, b: -1.05, Ea: 1.352e+04} - {P: 0.316 atm, A: 1.6e+10, b: 0.0, Ea: 1.172e+04} - {P: 1.0 atm, A: 1.9e+08, b: 0.6, Ea: 1.085e+04} - {P: 3.16 atm, A: 8.3, b: 2.69, Ea: 8025.0} - {P: 10.0 atm, A: 2.3e+07, b: 0.91, Ea: 1.171e+04} - {P: 31.6 atm, A: 4.2e+04, b: 1.7, Ea: 1.125e+04} - {P: 100.0 atm, A: 1.0e-05, b: 4.31, Ea: 6829.0} - equation: C2H2 + HO2 <=> CO + CH3O # Reaction 320 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.5e+11, b: 0.0, Ea: 4.951e+04} - {P: 0.1 atm, A: 2.8e+08, b: 0.01, Ea: 1.192e+04} - {P: 0.316 atm, A: 8.1e+07, b: 0.18, Ea: 1.165e+04} - {P: 1.0 atm, A: 8.9e+69, b: -15.85, Ea: 1.025e+05} - {P: 3.16 atm, A: 5.7e+12, b: -1.25, Ea: 1.457e+04} - {P: 10.0 atm, A: 3.3e+23, b: -4.45, Ea: 2.121e+04} - {P: 31.6 atm, A: 2.4e+22, b: -3.96, Ea: 2.265e+04} - {P: 100.0 atm, A: 1.2e+18, b: -2.57, Ea: 2.236e+04} - equation: C2H2 + HO2 <=> CO + CH3O # Reaction 321 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.9e+04, b: 1.23, Ea: 9903.0} - {P: 0.1 atm, A: 9.7e-07, b: 4.15, Ea: 5173.0} - {P: 0.316 atm, A: 1.8e-08, b: 4.62, Ea: 4517.0} - {P: 1.0 atm, A: 5.4e+05, b: 0.86, Ea: 1.07e+04} - {P: 3.16 atm, A: 5.4e-04, b: 3.42, Ea: 7218.0} - {P: 10.0 atm, A: 290.0, b: 1.84, Ea: 1.046e+04} - {P: 31.6 atm, A: 8.1, b: 2.3, Ea: 1.056e+04} - {P: 100.0 atm, A: 6.9e-04, b: 3.42, Ea: 9329.0} - equation: C2H2 + HO2 <=> CO2 + CH3 # Reaction 322 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.2e-07, b: 4.31, Ea: 4614.0} - {P: 0.1 atm, A: 1.1e-07, b: 4.32, Ea: 4622.0} - {P: 0.316 atm, A: 1.8e+142, b: -35.04, Ea: 1.887e+05} - {P: 1.0 atm, A: 4.0e+84, b: -19.8, Ea: 1.198e+05} - {P: 3.16 atm, A: 5.0e+13, b: -1.6, Ea: 1.498e+04} - {P: 10.0 atm, A: 8.6e+28, b: -6.15, Ea: 2.403e+04} - {P: 31.6 atm, A: 1.3e+27, b: -5.42, Ea: 2.538e+04} - {P: 100.0 atm, A: 1.7e+15, b: -1.8, Ea: 2.037e+04} - equation: C2H2 + HO2 <=> CO2 + CH3 # Reaction 323 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.0e+08, b: 0.0, Ea: 1.179e+04} - {P: 0.1 atm, A: 2.0e+08, b: 0.0, Ea: 1.178e+04} - {P: 0.316 atm, A: 1.6e+05, b: 0.95, Ea: 1.02e+04} - {P: 1.0 atm, A: 1.4e+06, b: 0.68, Ea: 1.081e+04} - {P: 3.16 atm, A: 9.3e-03, b: 3.0, Ea: 7659.0} - {P: 10.0 atm, A: 1.9e+04, b: 1.26, Ea: 1.123e+04} - {P: 31.6 atm, A: 290.0, b: 1.79, Ea: 1.124e+04} - {P: 100.0 atm, A: 3.9e-07, b: 4.21, Ea: 7314.0} - equation: C2H2 + O2 <=> HCO + HCO # Reaction 324 duplicate: true rate-constant: {A: 6.1e+12, b: 0.0, Ea: 5.325e+04} - equation: C2H2 + O2 <=> HCO + HCO # Reaction 325 duplicate: true rate-constant: {A: 1.7e+07, b: 1.67, Ea: 7.096e+04} - equation: C2H2 + O2 <=> HCO + H + CO # Reaction 326 duplicate: true rate-constant: {A: 6.7e+33, b: -5.633, Ea: 8.2336e+04} - equation: C2H2 + O2 <=> HCO + H + CO # Reaction 327 duplicate: true rate-constant: {A: 1.1e+26, b: -3.525, Ea: 7.3959e+04} - equation: C2H2 + O2 <=> H + CO + H + CO # Reaction 328 rate-constant: {A: 1.2e+32, b: -4.869, Ea: 9.301e+04} - equation: C2H2 + CH2(S) <=> C2H2 + CH2 # Reaction 329 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: H2CC + H <=> C2H2 + H # Reaction 330 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: H2CC + OH <=> CH2CO + H # Reaction 331 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: H2CC + O2 <=> CH2 + CO2 # Reaction 332 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C2 + H2 <=> C2H + H # Reaction 333 rate-constant: {A: 4.0e+05, b: 2.4, Ea: 1000.0} - equation: C2H + O <=> CH + CO # Reaction 334 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C2H + OH <=> HCCO + H # Reaction 335 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C2H + OH <=> C2 + H2O # Reaction 336 rate-constant: {A: 4.0e+07, b: 2.0, Ea: 8000.0} - equation: C2H + O2 <=> CO + CO + H # Reaction 337 rate-constant: {A: 4.7e+13, b: -0.16, Ea: 0.0} - equation: C2H + CH4 <=> CH3 + C2H2 # Reaction 338 rate-constant: {A: 7.2e+12, b: 0.0, Ea: 976.0} - equation: C2 + M <=> C + C + M # Reaction 339 type: three-body rate-constant: {A: 1.5e+16, b: 0.0, Ea: 1.423e+05} - equation: C2 + O <=> C + CO # Reaction 340 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: C2 + OH <=> C2O + H # Reaction 341 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C2 + O2 <=> CO + CO # Reaction 342 rate-constant: {A: 9.0e+12, b: 0.0, Ea: 980.0} - equation: CH3CH2OH <=> CH2OH + CH3 # Reaction 343 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 1.3e+51, b: -10.59, Ea: 1.00869e+05} - {P: 0.01 atm, A: 5.2e+59, b: -13.98, Ea: 9.985e+04} - {P: 0.1 atm, A: 1.6e+66, b: -15.3, Ea: 1.05331e+05} - {P: 1.0 atm, A: 5.6e+64, b: -14.47, Ea: 1.07039e+05} - {P: 10.0 atm, A: 1.6e+58, b: -12.29, Ea: 1.05708e+05} - {P: 100.0 atm, A: 1.8e+47, b: -8.96, Ea: 1.01002e+05} - equation: CH3CH2OH <=> C2H5 + OH # Reaction 344 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 8.1e+46, b: -11.33, Ea: 1.10991e+05} - {P: 0.01 atm, A: 1.8e+56, b: -13.49, Ea: 1.07178e+05} - {P: 0.1 atm, A: 4.7e+63, b: -14.99, Ea: 1.09561e+05} - {P: 1.0 atm, A: 1.5e+65, b: -14.89, Ea: 1.12282e+05} - {P: 10.0 atm, A: 2.8e+61, b: -13.4, Ea: 1.13016e+05} - {P: 100.0 atm, A: 6.2e+51, b: -10.34, Ea: 1.09879e+05} - equation: CH3CH2OH <=> C2H4 + H2O # Reaction 345 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 3.4e+59, b: -14.22, Ea: 8.3625e+04} - {P: 0.01 atm, A: 2.6e+57, b: -13.29, Ea: 8.5214e+04} - {P: 0.1 atm, A: 1.7e+52, b: -11.52, Ea: 8.4698e+04} - {P: 1.0 atm, A: 5.2e+43, b: -8.9, Ea: 8.1461e+04} - {P: 10.0 atm, A: 4.6e+32, b: -5.6, Ea: 7.6019e+04} - {P: 100.0 atm, A: 3.8e+20, b: -2.06, Ea: 6.9426e+04} - equation: CH3CHOH + H <=> CH3CH2OH # Reaction 346 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 9.9e+42, b: -10.77, Ea: 8942.0} - {P: 0.1 atm, A: 1.9e+55, b: -13.56, Ea: 1.4306e+04} - {P: 1.0 atm, A: 1.2e+53, b: -12.33, Ea: 1.4505e+04} - {P: 10.0 atm, A: 1.7e+50, b: -11.04, Ea: 1.5896e+04} - {P: 100.0 atm, A: 1.6e+40, b: -7.82, Ea: 1.2916e+04} - equation: CH3CH2OH + H <=> CH3CHOH + H2 # Reaction 347 rate-constant: {A: 8800.0, b: 2.68, Ea: 2913.0} - equation: CH3CH2OH + H <=> CH2CH2OH + H2 # Reaction 348 rate-constant: {A: 5300.0, b: 2.81, Ea: 7491.0} - equation: CH3CH2OH + H <=> CH3CH2O + H2 # Reaction 349 rate-constant: {A: 950.0, b: 3.14, Ea: 8696.0} - equation: CH3CH2OH + O <=> CH2CH2OH + OH # Reaction 350 rate-constant: {A: 970.0, b: 3.23, Ea: 4660.0} - equation: CH3CH2OH + O <=> CH3CHOH + OH # Reaction 351 rate-constant: {A: 1.5e+05, b: 2.47, Ea: 876.0} - equation: CH3CH2OH + O <=> CH3CH2O + OH # Reaction 352 rate-constant: {A: 1.5e-03, b: 4.7, Ea: 1730.0} - equation: CH3CH2OH + OH <=> CH3CHOH + H2O # Reaction 353 rate-constant: {A: 450.0, b: 3.11, Ea: -2666.0} - equation: CH3CH2OH + OH <=> CH2CH2OH + H2O # Reaction 354 rate-constant: {A: 9400.0, b: 2.67, Ea: -1004.0} - equation: CH3CH2OH + OH <=> CH3CH2O + H2O # Reaction 355 duplicate: true rate-constant: {A: 2400.0, b: 2.82, Ea: -691.0} - equation: CH3CH2OH + OH <=> CH3CH2O + H2O # Reaction 356 duplicate: true rate-constant: {A: 7.9e+07, b: 1.18, Ea: -303.0} - equation: CH3CH2OH + HO2 <=> CH3CHOH + H2O2 # Reaction 357 rate-constant: {A: 8200.0, b: 2.55, Ea: 1.075e+04} - equation: CH3CH2OH + HO2 <=> CH2CH2OH + H2O2 # Reaction 358 rate-constant: {A: 1.2e+04, b: 2.55, Ea: 1.575e+04} - equation: CH3CH2OH + HO2 <=> CH3CH2O + H2O2 # Reaction 359 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 2.4e+04} - equation: CH3CH2OH + CH3 <=> CH3CHOH + CH4 # Reaction 360 rate-constant: {A: 20.0, b: 3.37, Ea: 7630.0} - equation: CH3CH2OH + CH3 <=> CH2CH2OH + CH4 # Reaction 361 rate-constant: {A: 2.0, b: 3.57, Ea: 7717.0} - equation: CH3CH2OH + CH3 <=> CH3CH2O + CH4 # Reaction 362 rate-constant: {A: 330.0, b: 3.3, Ea: 1.2283e+04} - equation: CH3CHOH (+M) <=> CH3CHO + H (+M) # Reaction 363 type: falloff low-P-rate-constant: {A: 1.8e+16, b: 0.0, Ea: 2.0782e+04} high-P-rate-constant: {A: 6.2e+09, b: 1.31, Ea: 3.3778e+04} Troe: {A: 0.187, T3: 65.2, T1: 2568.0, T2: 4.1226e+04} - equation: CH3CHOH (+M) <=> CH2CHOH + H (+M) # Reaction 364 type: falloff low-P-rate-constant: {A: 8.2e+14, b: 0.0, Ea: 2.1517e+04} high-P-rate-constant: {A: 6.4e+09, b: 1.33, Ea: 3.5974e+04} Troe: {A: 0.473, T3: 10.0, T1: 2218.0, T2: 2615.0} - equation: CH3CHOH (+M) <=> CH3 + CH2O (+M) # Reaction 365 type: falloff low-P-rate-constant: {A: 5.9e+15, b: 0.0, Ea: 2.1333e+04} high-P-rate-constant: {A: 2.2e+09, b: 1.18, Ea: 3.3987e+04} Troe: {A: 0.124, T3: 1.0, T1: 1729.0, T2: 5.0e+04} - equation: CH3CHOH + H <=> CH2CHOH + H2 # Reaction 366 rate-constant: {A: 3.1e+12, b: 0.2728, Ea: -334.0} - equation: CH3CHOH + H <=> C2H4 + H2O # Reaction 367 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 1.2e+17, b: -1.166, Ea: 284.0} - {P: 0.01 atm, A: 1.2e+17, b: -1.162, Ea: 266.0} - {P: 0.1 atm, A: 1.8e+17, b: -1.216, Ea: 386.0} - {P: 1.0 atm, A: 2.6e+20, b: -2.079, Ea: 3148.0} - {P: 10.0 atm, A: 9.3e+23, b: -2.996, Ea: 7954.0} - {P: 100.0 atm, A: 1.6e+20, b: -1.812, Ea: 9448.0} - equation: CH3CHOH + H <=> CH3 + CH2OH # Reaction 368 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 1.4e+17, b: -0.912, Ea: 3081.0} - {P: 0.01 atm, A: 1.5e+17, b: -0.923, Ea: 3116.0} - {P: 0.1 atm, A: 4.5e+17, b: -1.052, Ea: 3509.0} - {P: 1.0 atm, A: 2.3e+20, b: -1.795, Ea: 5893.0} - {P: 10.0 atm, A: 5.0e+24, b: -2.949, Ea: 1.0754e+04} - {P: 100.0 atm, A: 4.0e+23, b: -2.527, Ea: 1.3637e+04} - equation: CH3CHOH + H <=> C2H5 + OH # Reaction 369 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 4.0e+13, b: 0.021, Ea: 4442.0} - {P: 0.01 atm, A: 4.4e+13, b: 0.01, Ea: 4476.0} - {P: 0.1 atm, A: 1.1e+14, b: -0.095, Ea: 4790.0} - {P: 1.0 atm, A: 1.6e+16, b: -0.697, Ea: 6677.0} - {P: 10.0 atm, A: 6.8e+20, b: -1.943, Ea: 1.1331e+04} - {P: 100.0 atm, A: 6.3e+21, b: -2.106, Ea: 1.5269e+04} - equation: CH3CHOH + O <=> CH3CHO + OH # Reaction 370 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH3CHOH + OH <=> CH3CHO + H2O # Reaction 371 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CH3CHOH + HO2 <=> CH3CHO + OH + OH # Reaction 372 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CHOH + O2 <=> CH3CHO + HO2 # Reaction 373 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 5.3e+17, b: -1.637, Ea: 838.0} - {P: 0.01 atm, A: 5.3e+17, b: -1.637, Ea: 838.0} - {P: 0.1 atm, A: 5.3e+17, b: -1.637, Ea: 838.0} - {P: 1.0 atm, A: 5.3e+17, b: -1.638, Ea: 839.0} - {P: 10.0 atm, A: 1.5e+18, b: -1.771, Ea: 1120.0} - {P: 100.0 atm, A: 3.8e+20, b: -2.429, Ea: 3090.0} - equation: CH3CHOH + O2 <=> CH2CHOH + HO2 # Reaction 374 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 510.0, b: 2.495, Ea: -414.0} - {P: 0.01 atm, A: 510.0, b: 2.496, Ea: -414.0} - {P: 0.1 atm, A: 530.0, b: 2.49, Ea: -402.0} - {P: 1.0 atm, A: 760.0, b: 2.45, Ea: -296.0} - {P: 10.0 atm, A: 8900.0, b: 2.146, Ea: 470.0} - {P: 100.0 atm, A: 4.4e+05, b: 1.699, Ea: 2330.0} - equation: CH2CH2OH <=> CH2CHOH + H # Reaction 375 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0013 atm, A: 2.7e+15, b: -1.92, Ea: 2.9383e+04} - {P: 1.0 atm, A: 3.3e+28, b: -5.26, Ea: 3.5583e+04} - {P: 100.0 atm, A: 2.7e+27, b: -4.44, Ea: 3.7205e+04} - equation: CH2CH2OH + H <=> C2H4 + H2O # Reaction 376 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 1.7e+17, b: -1.184, Ea: 335.0} - {P: 0.01 atm, A: 1.6e+17, b: -1.176, Ea: 299.0} - {P: 0.1 atm, A: 1.7e+18, b: -1.461, Ea: 1107.0} - {P: 1.0 atm, A: 2.6e+22, b: -2.599, Ea: 5235.0} - {P: 10.0 atm, A: 6.5e+23, b: -2.883, Ea: 9307.0} - {P: 100.0 atm, A: 3.6e+16, b: -0.716, Ea: 8767.0} - equation: CH2CH2OH + H <=> CH3 + CH2OH # Reaction 377 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 1.5e+17, b: -0.903, Ea: 3024.0} - {P: 0.01 atm, A: 1.9e+17, b: -0.935, Ea: 3120.0} - {P: 0.1 atm, A: 2.5e+18, b: -1.243, Ea: 4062.0} - {P: 1.0 atm, A: 1.9e+22, b: -2.3, Ea: 7693.0} - {P: 10.0 atm, A: 2.8e+25, b: -3.1, Ea: 1.2454e+04} - {P: 100.0 atm, A: 7.5e+20, b: -1.693, Ea: 1.3429e+04} - equation: CH2CH2OH + H <=> C2H5 + OH # Reaction 378 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 3.6e+13, b: 0.05139, Ea: 4302.0} - {P: 0.01 atm, A: 4.6e+13, b: 0.02101, Ea: 4392.0} - {P: 0.1 atm, A: 3.4e+14, b: -0.21686, Ea: 5113.0} - {P: 1.0 atm, A: 9.2e+17, b: -1.15762, Ea: 8193.0} - {P: 10.0 atm, A: 1.6e+22, b: -2.27331, Ea: 1.3261e+04} - {P: 100.0 atm, A: 8.1e+19, b: -1.50969, Ea: 1.5534e+04} - equation: CH2CH2OH + H (+M) <=> CH3CH2OH (+M) # Reaction 379 type: falloff low-P-rate-constant: {A: 2.0e+41, b: -7.08, Ea: 6685.0} high-P-rate-constant: {A: 5.2e+17, b: -0.99, Ea: 1580.0} Troe: {A: 0.8422, T3: 125.0, T1: 2219.0, T2: 6882.0} - equation: CH2CH2OH + O <=> CH2O + CH2OH # Reaction 380 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CH2OH + OH <=> CH2CHOH + H2O # Reaction 381 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 1.3e+19, b: -1.96, Ea: 273.0} - {P: 0.01 atm, A: 1.2e+19, b: -1.9533, Ea: 239.0} - {P: 0.1 atm, A: 4.1e+19, b: -2.1007, Ea: 625.0} - {P: 1.0 atm, A: 7.9e+22, b: -2.9892, Ea: 3863.0} - {P: 10.0 atm, A: 2.8e+24, b: -3.3287, Ea: 7749.0} - {P: 100.0 atm, A: 4.7e+18, b: -1.5805, Ea: 7999.0} - equation: CH2CH2OH + HO2 <=> CH3CH2OH + O2 # Reaction 382 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: CH2CH2OH + HO2 => CH2OH + CH2O + OH # Reaction 383 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CH2OH + O2 <=> HOCH2CH2OO # Reaction 384 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 1.5e+44, b: -11.15, Ea: 5523.0} - {P: 0.1 atm, A: 4.9e+42, b: -10.34, Ea: 5913.0} - {P: 1.0 atm, A: 6.4e+38, b: -8.77, Ea: 5859.0} - {P: 10.0 atm, A: 5.6e+32, b: -6.58, Ea: 5046.0} - {P: 100.0 atm, A: 4.2e+26, b: -4.46, Ea: 3940.0} - equation: CH2CH2OH + O2 <=> CH2CHOH + HO2 # Reaction 385 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 1.3e+53, b: -11.88, Ea: 3.5927e+04} - {P: 0.1 atm, A: 5.0e+12, b: -0.79, Ea: 877.0} - {P: 1.0 atm, A: 3.6e+13, b: -0.88, Ea: 3074.0} - {P: 10.0 atm, A: 4.4e+20, b: -2.85, Ea: 8516.0} - {P: 100.0 atm, A: 1.9e+30, b: -5.51, Ea: 1.6616e+04} - equation: CH2CH2OH + O2 <=> CH2CHOH + HO2 # Reaction 386 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 2.3e+10, b: -0.15, Ea: -791.0} - {P: 0.1 atm, A: 2.8e+61, b: -14.17, Ea: 4.3492e+04} - {P: 1.0 atm, A: 6000.0, b: -10.0, Ea: 199.0} - {P: 10.0 atm, A: 6000.0, b: -10.0, Ea: 199.0} - {P: 100.0 atm, A: 6000.0, b: -10.0, Ea: 199.0} - equation: CH2CH2OH + O2 <=> CH2O + CH2O + OH # Reaction 387 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 5.6e+22, b: -3.95, Ea: 1210.0} - {P: 0.1 atm, A: 1.4e+24, b: -4.31, Ea: 2664.0} - {P: 1.0 atm, A: 4.4e+24, b: -4.36, Ea: 4396.0} - {P: 10.0 atm, A: 3.0e+25, b: -4.5, Ea: 6763.0} - {P: 100.0 atm, A: 1.2e+29, b: -5.44, Ea: 1.1323e+04} - equation: CH3CH2O (+M) <=> CH3 + CH2O (+M) # Reaction 388 type: falloff low-P-rate-constant: {A: 4.7e+25, b: 0.93, Ea: 1.6532e+04} high-P-rate-constant: {A: 6.3e+10, b: 0.93, Ea: 1.7098e+04} Troe: {A: 0.426, T3: 0.3, T1: 2278.0, T2: 1.0e+05} - equation: CH3CHO + H <=> CH3CH2O # Reaction 389 rate-constant: {A: 4.6e+07, b: 1.71, Ea: 7090.0} - equation: CH3CH2O + H (+M) <=> CH2OH + CH3 (+M) # Reaction 390 type: falloff low-P-rate-constant: {A: 3.0e+11, b: 0.893, Ea: 17.0} high-P-rate-constant: {A: 2.6e+18, b: -1.05, Ea: 5128.0} - equation: CH3CH2O + H <=> CH3CHO + H2 # Reaction 391 rate-constant: {A: 7.5e+09, b: 1.15, Ea: 673.0} - equation: CH3CH2O + OH <=> CH3CHO + H2O # Reaction 392 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CH2O + O2 <=> CH3CHO + HO2 # Reaction 393 rate-constant: {A: 1.5e+10, b: 0.0, Ea: 645.0} - equation: CH3CH2O + CO <=> C2H5 + CO2 # Reaction 394 rate-constant: {A: 9.5e+25, b: -4.93, Ea: 9080.0} - equation: CH3CHO (+M) <=> CH3 + HCO (+M) # Reaction 395 type: falloff low-P-rate-constant: {A: 1.1e+59, b: -11.3, Ea: 9.5912e+04} high-P-rate-constant: {A: 2.7e+22, b: -1.74, Ea: 8.6355e+04} Troe: {A: 0.18, T3: 462.0, T1: 1.6773e+05, T2: 1.58e+06} efficiencies: {H2: 2.86, H2O: 8.57, CH4: 4.23, CO: 2.14, CO2: 2.86, C2H6: 4.23, N2: 1.43} - equation: CH3CHO <=> CH2CO + H2 # Reaction 396 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.05 atm, A: 4.0e+44, b: -10.07, Ea: 8.7428e+04} - {P: 0.1 atm, A: 7.4e+44, b: -10.05, Ea: 8.8422e+04} - {P: 1.0 atm, A: 8.5e+44, b: -9.77, Ea: 9.0905e+04} - {P: 10.0 atm, A: 2.2e+45, b: -9.55, Ea: 9.4879e+04} - equation: CH3CHO <=> CH4 + CO # Reaction 397 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.05 atm, A: 5.1e+45, b: -9.85, Ea: 8.9018e+04} - {P: 0.1 atm, A: 1.4e+45, b: -9.65, Ea: 8.7925e+04} - {P: 1.0 atm, A: 1.9e+45, b: -9.43, Ea: 8.9415e+04} - {P: 10.0 atm, A: 1.6e+45, b: -9.1, Ea: 9.2793e+04} - equation: CH3CHO <=> CH2CHOH # Reaction 398 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.05 atm, A: 7.3e+45, b: -10.04, Ea: 7.8785e+04} - {P: 0.1 atm, A: 2.9e+45, b: -9.86, Ea: 7.8884e+04} - {P: 1.0 atm, A: 1.1e+46, b: -9.76, Ea: 8.1964e+04} - {P: 10.0 atm, A: 2.8e+45, b: -9.35, Ea: 8.4645e+04} - equation: CH3CHO + H <=> CH3CO + H2 # Reaction 399 rate-constant: {A: 1.3e+05, b: 2.58, Ea: 1219.0} - equation: CH3CHO + H <=> CH2CHO + H2 # Reaction 400 rate-constant: {A: 2700.0, b: 3.1, Ea: 5203.0} - equation: CH3CHO + O <=> CH3CO + OH # Reaction 401 rate-constant: {A: 5.8e+12, b: 0.0, Ea: 1808.0} - equation: CH3CHO + O <=> CH2CHO + OH # Reaction 402 rate-constant: {A: 9.0e+04, b: 2.8, Ea: 5800.0} - equation: CH3CHO + OH <=> CH3CO + H2O # Reaction 403 rate-constant: {A: 2.8e+12, b: 0.0, Ea: -709.0} - equation: CH3CHO + OH <=> CH2CHO + H2O # Reaction 404 rate-constant: {A: 8.5e+13, b: 0.0, Ea: 5313.0} - equation: CH3CHO + HO2 <=> CH3CO + H2O2 # Reaction 405 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 1.6293e+04} - equation: CH3CHO + HO2 <=> CH2CHO + H2O2 # Reaction 406 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 2.3248e+04} - equation: CH3CHO + O2 <=> CH3CO + HO2 # Reaction 407 rate-constant: {A: 1.2e+05, b: 2.5, Ea: 3.7554e+04} - equation: CH3CHO + O2 <=> CH2CHO + HO2 # Reaction 408 rate-constant: {A: 1.5e+07, b: 1.9, Ea: 4.9548e+04} - equation: CH3CHO + CH3 <=> CH3CO + CH4 # Reaction 409 rate-constant: {A: 3.5e-08, b: 6.21, Ea: 1629.0} - equation: CH3CHO + CH3 <=> CH2CHO + CH4 # Reaction 410 rate-constant: {A: 0.18, b: 3.44, Ea: 1.0384e+04} - equation: CH3CHO + CH3O <=> CH3CO + CH3OH # Reaction 411 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 2981.0} - equation: CH3CHO + CH3O <=> CH2CHO + CH3OH # Reaction 412 rate-constant: {A: 1.2e+11, b: 0.0, Ea: 7100.0} - equation: CH3CHO + CH3OO <=> CH3CO + CH3OOH # Reaction 413 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 1.6293e+04} - equation: CH3CHO + CH3OO <=> CH2CHO + CH3OOH # Reaction 414 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 2.3248e+04} - equation: CH3CHO + C2H3 <=> CH2CHO + C2H4 # Reaction 415 rate-constant: {A: 0.2, b: 3.96, Ea: 2.599e+04} - equation: CH3CHO + C2H3 <=> CH3CO + C2H4 # Reaction 416 rate-constant: {A: 0.16, b: 3.62, Ea: 1.681e+04} - equation: cC2H4O <=> CH2CHO + H # Reaction 417 rate-constant: {A: 1.8e+13, b: 0.2, Ea: 7.178e+04} - equation: cC2H4O <=> CH3 + HCO # Reaction 418 rate-constant: {A: 5.6e+13, b: 0.4, Ea: 6.188e+04} - equation: cC2H4O <=> CH3CO + H # Reaction 419 rate-constant: {A: 2.4e+13, b: 0.25, Ea: 6.531e+04} - equation: cC2H4O <=> CH2CO + H2 # Reaction 420 rate-constant: {A: 3.6e+12, b: -0.2, Ea: 6.303e+04} - equation: cC2H4O <=> CH3CHO # Reaction 421 rate-constant: {A: 3.2e+12, b: -0.75, Ea: 4.6424e+04} - equation: cC2H4O <=> C2H2 + H2O # Reaction 422 rate-constant: {A: 7.6e+12, b: 0.06, Ea: 6.953e+04} - equation: cC2H4O + H <=> CH3CHO + H # Reaction 423 rate-constant: {A: 5.6e+13, b: 0.0, Ea: 1.095e+04} - equation: cC2H4O + H <=> cC2H3O + H2 # Reaction 424 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 8310.0} - equation: cC2H4O + H <=> C2H3 + H2O # Reaction 425 rate-constant: {A: 5.0e+09, b: 0.0, Ea: 5000.0} - equation: cC2H4O + H <=> C2H4 + OH # Reaction 426 rate-constant: {A: 9.5e+10, b: 0.0, Ea: 5000.0} - equation: cC2H4O + O <=> cC2H3O + OH # Reaction 427 rate-constant: {A: 1.9e+12, b: 0.0, Ea: 5250.0} - equation: cC2H4O + OH <=> cC2H3O + H2O # Reaction 428 rate-constant: {A: 1.8e+13, b: 0.0, Ea: 3610.0} - equation: cC2H4O + HO2 <=> cC2H3O + H2O2 # Reaction 429 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 1.7e+04} - equation: cC2H4O + O2 <=> cC2H3O + HO2 # Reaction 430 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 6.15e+04} - equation: cC2H4O + CH3 <=> cC2H3O + CH4 # Reaction 431 rate-constant: {A: 1.1e+12, b: 0.0, Ea: 1.183e+04} - equation: CH2CHOH + H <=> CH2CHO + H2 # Reaction 432 rate-constant: {A: 1500.0, b: 3.077, Ea: 7230.0} - equation: CH2CHOH + H <=> CHCHOH + H2 # Reaction 433 rate-constant: {A: 2.5e+07, b: 2.03, Ea: 1.518e+04} - equation: CH2CHOH + O <=> CH2OH + HCO # Reaction 434 duplicate: true rate-constant: {A: 3.9e+12, b: 0.0, Ea: 1494.0} - equation: CH2CHOH + O <=> CH2OH + HCO # Reaction 435 duplicate: true rate-constant: {A: 6.2e+13, b: 0.0, Ea: 6855.0} - equation: CH2CHOH + O <=> CH2OH + H + CO # Reaction 436 duplicate: true rate-constant: {A: 3.7e+23, b: -2.473, Ea: 2.6782e+04} - equation: CH2CHOH + O <=> CH2OH + H + CO # Reaction 437 duplicate: true rate-constant: {A: 2.3e+22, b: -2.473, Ea: 2.1421e+04} - equation: CH2CHOH + O <=> CH2CHO + OH # Reaction 438 rate-constant: {A: 1.6e+07, b: 2.0, Ea: 4400.0} - equation: CH2CHOH + OH <=> CHCHOH + H2O # Reaction 439 rate-constant: {A: 0.13, b: 4.2, Ea: -860.0} - equation: CH2CHOH + OH <=> CH2CHO + H2O # Reaction 440 duplicate: true rate-constant: {A: 2400.0, b: 2.82, Ea: -691.0} - equation: CH2CHOH + OH <=> CH2CHO + H2O # Reaction 441 duplicate: true rate-constant: {A: 7.9e+07, b: 1.18, Ea: -303.0} - equation: CH2CHOH + HO2 <=> CH2CHO + H2O2 # Reaction 442 rate-constant: {A: 1.6e+12, b: 0.0, Ea: 1.6293e+04} - equation: CH2CHOH + HO2 <=> CH3CHO + HO2 # Reaction 443 rate-constant: {A: 1.5e+05, b: 1.67, Ea: 6810.0} - equation: CH2CHOH + O2 => CH2O + HCO + OH # Reaction 444 duplicate: true rate-constant: {A: 3.5e+07, b: 1.8, Ea: 3.9e+04} - equation: CH2CHOH + O2 => CH2O + HCO + OH # Reaction 445 duplicate: true rate-constant: {A: -2.1e+17, b: -0.673, Ea: 5.8927e+04} negative-A: true - equation: CH2CHOH + O2 => CH2O + H + CO + OH # Reaction 446 rate-constant: {A: 2.1e+17, b: -0.673, Ea: 5.8927e+04} - equation: CHCHOH <=> HCCOH + H # Reaction 447 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 4.4e+29, b: -6.153, Ea: 5.1383e+04} - {P: 1.0 atm, A: 1.1e+31, b: -6.153, Ea: 5.1383e+04} - {P: 10.0 atm, A: 1.5e+32, b: -6.168, Ea: 5.2239e+04} - {P: 100.0 atm, A: 5.5e+29, b: -5.057, Ea: 5.2377e+04} - equation: CHCHOH + H <=> CH2CHO + H # Reaction 448 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CHCHOH + H <=> HCCOH + H2 # Reaction 449 rate-constant: {A: 4.5e+13, b: 0.0, Ea: 0.0} - equation: CHCHOH + O <=> OCHCHO + H # Reaction 450 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CHCHOH + OH <=> HCCOH + H2O # Reaction 451 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CHCHOH + O2 <=> OCHCHO + OH # Reaction 452 rate-constant: {A: 1.8e+12, b: 0.0, Ea: -187.0} - equation: CHCHOH + O2 <=> HOCHO + HCO # Reaction 453 duplicate: true rate-constant: {A: 3.3e+12, b: 0.0, Ea: 0.0} - equation: CHCHOH + O2 <=> HOCHO + HCO # Reaction 454 duplicate: true rate-constant: {A: -1.8e+12, b: 0.0, Ea: -187.0} negative-A: true - equation: CHCHOH + O2 <=> HOCHO + H + CO # Reaction 455 rate-constant: {A: 1.1e+22, b: -2.498, Ea: 2.0266e+04} - equation: CHCHOH + CH2O <=> CH2CHOH + HCO # Reaction 456 duplicate: true rate-constant: {A: 5400.0, b: 2.81, Ea: 5860.0} - equation: CHCHOH + CH2O <=> CH2CHOH + HCO # Reaction 457 duplicate: true rate-constant: {A: -3.2e+13, b: 0.337, Ea: 2.5787e+04} negative-A: true - equation: CHCHOH + CH2O <=> CH2CHOH + H + CO # Reaction 458 rate-constant: {A: 3.2e+13, b: 0.337, Ea: 2.5787e+04} - equation: CHCHOH + HCO <=> CH2CHOH + CO # Reaction 459 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: CHCHOH + CH3 <=> HCCOH + CH4 # Reaction 460 rate-constant: {A: 2.1e+13, b: 0.0, Ea: 0.0} - equation: cC2H3O <=> CH2CHO # Reaction 461 rate-constant: {A: 8.7e+31, b: -6.9, Ea: 1.4994e+04} - equation: cC2H3O <=> CH2CO + H # Reaction 462 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 1.4863e+04} - equation: cC2H3O <=> CH3 + CO # Reaction 463 rate-constant: {A: 7.1e+12, b: 0.0, Ea: 1.428e+04} - equation: CH3CO <=> CH3 + CO # Reaction 464 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 6.9e+14, b: -1.97, Ea: 1.4585e+04} - {P: 0.025 atm, A: 2.4e+15, b: -2.0, Ea: 1.4805e+04} - {P: 0.1 atm, A: 2.0e+16, b: -2.09, Ea: 1.5197e+04} - {P: 1.0 atm, A: 6.5e+18, b: -2.52, Ea: 1.6436e+04} - {P: 10.0 atm, A: 8.2e+19, b: -2.55, Ea: 1.7263e+04} - {P: 100.0 atm, A: 1.3e+20, b: -2.32, Ea: 1.8012e+04} - equation: CH2CO + H <=> CH3CO # Reaction 465 rate-constant: {A: 2.3e+08, b: 1.61, Ea: 2627.0} - equation: CH3CO + H <=> CH3 + HCO # Reaction 466 duplicate: true rate-constant: {A: 2.1e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + H <=> CH3 + HCO # Reaction 467 duplicate: true rate-constant: {A: -1.2e+23, b: -2.473, Ea: 1.9927e+04} negative-A: true - equation: CH3CO + H <=> CH3 + H + CO # Reaction 468 rate-constant: {A: 1.2e+23, b: -2.473, Ea: 1.9927e+04} - equation: CH3CO + H <=> CH2CO + H2 # Reaction 469 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + O <=> CH3 + CO2 # Reaction 470 rate-constant: {A: 1.6e+14, b: 0.0, Ea: 0.0} - equation: CH3CO + O <=> CH2CO + OH # Reaction 471 rate-constant: {A: 5.3e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + OH <=> CH2CO + H2O # Reaction 472 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + O2 <=> CH3C(O)OO # Reaction 473 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 3.6e+31, b: -4.769, Ea: 2188.0} - {P: 1.0 atm, A: 2.8e+34, b: -7.21, Ea: 6060.0} - {P: 10.0 atm, A: 4.9e+31, b: -6.087, Ea: 6541.0} - equation: CH3CO + O2 <=> CH2CO + HO2 # Reaction 474 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.3e+08, b: 1.986, Ea: 228.0} - {P: 1.0 atm, A: 3.6e+10, b: 0.544, Ea: 3721.0} - {P: 10.0 atm, A: 7.7e+13, b: -0.335, Ea: 7510.0} - equation: CH3CO + O2 <=> CH2O + CO + OH # Reaction 475 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 5.1e+22, b: -3.524, Ea: 3255.0} - {P: 1.0 atm, A: 4.9e+23, b: -3.712, Ea: 5895.0} - {P: 10.0 atm, A: 4.8e+22, b: -3.303, Ea: 8598.0} - equation: CH3CO + CH3 <=> C2H6 + CO # Reaction 476 rate-constant: {A: 3.3e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + CH3 <=> CH2CO + CH4 # Reaction 477 rate-constant: {A: 5.3e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + CH3OO <=> CH3 + CO2 + CH3O # Reaction 478 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: CH2CHO <=> CH2CO + H # Reaction 479 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.4e+25, b: -4.8, Ea: 4.3424e+04} - {P: 0.1 atm, A: 2.4e+30, b: -5.86, Ea: 4.6114e+04} - {P: 1.0 atm, A: 1.3e+34, b: -6.57, Ea: 4.9454e+04} - {P: 10.0 atm, A: 3.5e+36, b: -6.92, Ea: 5.2979e+04} - {P: 100.0 atm, A: 1.2e+36, b: -6.48, Ea: 5.5191e+04} - equation: CH2CHO <=> CH3 + CO # Reaction 480 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.2e+30, b: -6.07, Ea: 4.1332e+04} - {P: 0.025 atm, A: 1.5e+31, b: -6.27, Ea: 4.2478e+04} - {P: 0.1 atm, A: 6.4e+32, b: -6.57, Ea: 4.4282e+04} - {P: 1.0 atm, A: 6.5e+34, b: -6.87, Ea: 4.7191e+04} - {P: 10.0 atm, A: 2.2e+35, b: -6.76, Ea: 4.9548e+04} - {P: 100.0 atm, A: 2.2e+33, b: -5.97, Ea: 5.0448e+04} - equation: CH2CHO + H <=> CH3 + HCO # Reaction 481 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.0e+20, b: -2.063, Ea: 3994.0} - {P: 0.1 atm, A: 6.5e+21, b: -2.371, Ea: 4936.0} - {P: 1.0 atm, A: 1.0e+33, b: -5.363, Ea: 1.7064e+04} - {P: 10.0 atm, A: 1.8e+40, b: -7.368, Ea: 2.4518e+04} - {P: 100.0 atm, A: 1.2e+32, b: -4.93, Ea: 2.2682e+04} - equation: CH2CHO + H <=> CH3 + HCO # Reaction 482 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.0e+28, b: -4.169, Ea: 1.2362e+04} - {P: 0.1 atm, A: 4.0e+29, b: -4.477, Ea: 1.3304e+04} - {P: 1.0 atm, A: 1.2e+27, b: -3.851, Ea: 9085.0} - {P: 10.0 atm, A: 2.7e+28, b: -4.075, Ea: 1.3264e+04} - {P: 100.0 atm, A: 1.97e+24, b: -2.822, Ea: 1.43049e+04} - equation: CH2CHO + H <=> CH3 + H + CO # Reaction 483 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.1e+27, b: -3.408, Ea: 2.3047e+04} - {P: 0.1 atm, A: 1.5e+28, b: -3.716, Ea: 2.3989e+04} - {P: 1.0 atm, A: 1.1e+32, b: -4.773, Ea: 2.762e+04} - {P: 10.0 atm, A: 1.7e+35, b: -5.573, Ea: 3.2381e+04} - {P: 100.0 atm, A: 4.5e+30, b: -4.166, Ea: 3.3356e+04} - equation: CH2CHO + H <=> CH3CO + H # Reaction 484 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.001 atm, A: 3.6e+13, b: 0.05139, Ea: 4301.0} - {P: 0.01 atm, A: 4.6e+13, b: 0.02101, Ea: 4392.0} - {P: 0.1 atm, A: 3.4e+14, b: -0.21686, Ea: 5113.0} - {P: 1.0 atm, A: 9.2e+17, b: -1.15762, Ea: 8193.0} - {P: 10.0 atm, A: 1.6e+22, b: -2.27331, Ea: 1.3261e+04} - {P: 100.0 atm, A: 8.1e+19, b: -1.50969, Ea: 1.5534e+04} - equation: CH2CHO + O <=> CH2O + HCO # Reaction 485 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHO + O <=> CH2O + H + CO # Reaction 486 rate-constant: {A: 3.0e+23, b: -2.473, Ea: 1.9927e+04} - equation: CH2CHO + OH <=> CH2CO + H2O # Reaction 487 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHO + OH <=> CH2OH + HCO # Reaction 488 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHO + OH <=> CH2OH + H + CO # Reaction 489 rate-constant: {A: 6.0e+22, b: -2.473, Ea: 1.9927e+04} - equation: CH2CHO + HO2 <=> CH2O + HCO + OH # Reaction 490 rate-constant: {A: 3.1e+13, b: 0.0, Ea: 0.0} - equation: CH2CHO + O2 <=> CH2O + CO + OH # Reaction 491 rate-constant: {A: 7.0e+10, b: 0.0, Ea: 0.0} - equation: CH2CHO + CH2 <=> C2H4 + HCO # Reaction 492 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHO + CH2 <=> C2H4 + H + CO # Reaction 493 rate-constant: {A: 3.0e+23, b: -2.473, Ea: 1.9927e+04} - equation: CH2CHO + CH <=> C2H3 + HCO # Reaction 494 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH2CHO + CH <=> C2H3 + H + CO # Reaction 495 rate-constant: {A: 6.0e+23, b: -2.473, Ea: 1.9927e+04} - equation: CHCHO + H <=> CH2CO + H # Reaction 496 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CHCHO + O2 <=> CO2 + H + HCO # Reaction 497 rate-constant: {A: 2.1e+09, b: 0.9929, Ea: -269.0} - equation: CHCHO + O2 <=> OCHCHO + O # Reaction 498 rate-constant: {A: 1.3e+06, b: 2.4202, Ea: 1604.0} - equation: CH2 + CO (+M) <=> CH2CO (+M) # Reaction 499 type: falloff low-P-rate-constant: {A: 2.69e+33, b: -5.11, Ea: 7095.0} high-P-rate-constant: {A: 8.1e+11, b: 0.5, Ea: 4510.0} Troe: {A: 0.5907, T3: 275.0, T1: 1226.0, T2: 5185.0} efficiencies: {N2: 1.0, H2O: 6.0, AR: 0.7} - equation: CH2CO + H <=> CH3 + CO # Reaction 500 rate-constant: {A: 7.8e+08, b: 1.45, Ea: 2780.0} - equation: CH2CO + H <=> HCCO + H2 # Reaction 501 rate-constant: {A: 3.0e+07, b: 2.0, Ea: 1.0e+04} - equation: CH2CO + O <=> CO2 + CH2 # Reaction 502 rate-constant: {A: 1.8e+12, b: 0.0, Ea: 1350.0} - equation: CH2CO + OH <=> CH2OH + CO # Reaction 503 rate-constant: {A: 1.0e+12, b: 0.0, Ea: -1013.0} - equation: CH2CO + OH <=> CH3 + CO2 # Reaction 504 rate-constant: {A: 6.7e+11, b: 0.0, Ea: -1013.0} - equation: CH2CO + OH <=> HCCO + H2O # Reaction 505 rate-constant: {A: 1.0e+07, b: 2.0, Ea: 3000.0} - equation: CH2CO + CH2(S) <=> C2H4 + CO # Reaction 506 rate-constant: {A: 1.6e+14, b: 0.0, Ea: 0.0} - equation: HCCOH + H <=> HCCO + H2 # Reaction 507 rate-constant: {A: 3.0e+07, b: 2.0, Ea: 1000.0} - equation: HCCOH + OH <=> HCCO + H2O # Reaction 508 rate-constant: {A: 1.0e+07, b: 2.0, Ea: 1000.0} - equation: CH + CO (+M) <=> HCCO (+M) # Reaction 509 type: falloff low-P-rate-constant: {A: 2.7e+28, b: -3.74, Ea: 1936.0} high-P-rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} Troe: {A: 0.5757, T3: 237.0, T1: 1652.0, T2: 5069.0} efficiencies: {N2: 1.0, H2O: 6.0, AR: 0.7, H2: 2.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0} - equation: HCCO + H <=> CH2(S) + CO # Reaction 510 rate-constant: {A: 1.5e+14, b: 0.0, Ea: 0.0} - equation: HCCO + O <=> CO + CO + H # Reaction 511 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: HCCO + OH <=> C2O + H2O # Reaction 512 rate-constant: {A: 1.4e+04, b: 2.65, Ea: 1472.0} - equation: HCCO + OH <=> CH2CO + O # Reaction 513 rate-constant: {A: 1.3e+06, b: 1.99, Ea: 1.128e+04} - equation: HCCO + OH <=> HCOH + CO # Reaction 514 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 3.0e+16, b: -0.935, Ea: 659.0} - {P: 10.0 atm, A: 1.1e+18, b: -1.392, Ea: 1395.0} - {P: 100.0 atm, A: 3.2e+18, b: -1.523, Ea: 1627.0} - equation: HCCO + OH <=> HCOH + CO # Reaction 515 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 8.7e+19, b: -1.792, Ea: 5994.0} - {P: 10.0 atm, A: 3.5e+22, b: -2.475, Ea: 9163.0} - {P: 100.0 atm, A: 1.3e+24, b: -2.902, Ea: 1.0522e+04} - equation: HCCO + OH <=> HCOH + CO # Reaction 516 duplicate: true rate-constant: {A: 2.9e+12, b: 0.37, Ea: -24.0} - equation: HCCO + OH <=> CH2O + CO # Reaction 517 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 1.2e+21, b: -2.459, Ea: 2528.0} - {P: 100.0 atm, A: 1.1e+08, b: 0.11, Ea: 52.0} - equation: HCCO + OH <=> OCHCO + H # Reaction 518 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.6e+08, b: 1.41, Ea: 845.0} - {P: 0.1 atm, A: 2.6e+08, b: 1.41, Ea: 845.0} - {P: 1.0 atm, A: 2.6e+08, b: 1.41, Ea: 849.0} - {P: 10.0 atm, A: 3.0e+08, b: 1.4, Ea: 917.0} - {P: 100.0 atm, A: 8.2e+08, b: 1.28, Ea: 1531.0} - equation: HCCO + O2 <=> CO2 + CO + H # Reaction 519 rate-constant: {A: 4.9e+12, b: -0.142, Ea: 1150.0} - equation: HCCO + O2 <=> CO + CO + OH # Reaction 520 rate-constant: {A: 1.6e+11, b: -0.02, Ea: 1020.0} - equation: HCCO + O2 <=> HCO + CO + O # Reaction 521 rate-constant: {A: 220.0, b: 2.69, Ea: 3540.0} - equation: HCCO + O2 <=> H + CO + CO + O # Reaction 522 rate-constant: {A: 1.3e+12, b: 0.217, Ea: 2.3467e+04} - equation: HCCO + CH2 <=> C2H3 + CO # Reaction 523 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCCO + CH <=> C2H2 + CO # Reaction 524 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: HCCO + HCCO <=> C2H2 + CO + CO # Reaction 525 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C2O + M <=> C + CO + M # Reaction 526 type: three-body rate-constant: {A: 2.0e+15, b: 0.0, Ea: 4.42e+04} - equation: C2O + H <=> CH + CO # Reaction 527 rate-constant: {A: 1.3e+13, b: 0.0, Ea: 0.0} - equation: C2O + O <=> CO + CO # Reaction 528 rate-constant: {A: 5.2e+13, b: 0.0, Ea: 0.0} - equation: C2O + OH <=> CO + CO + H # Reaction 529 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C2O + O2 <=> CO + CO + O # Reaction 530 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2600.0} - equation: C2O + O2 <=> CO + CO2 # Reaction 531 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2600.0} - equation: C2O + C <=> CO + C2 # Reaction 532 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH3CH2OOH <=> CH3CH2O + OH # Reaction 533 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 6.1e+58, b: -14.05, Ea: 5.4131e+04} - {P: 1.0 atm, A: 9.3e+52, b: -11.91, Ea: 5.3378e+04} - {P: 100.0 atm, A: 1.4e+33, b: -5.27, Ea: 4.8696e+04} - equation: CH3CH2OOH + H <=> CH3CHOOH + H2 # Reaction 534 rate-constant: {A: 6.5e+10, b: 0.0, Ea: 1860.0} - equation: CH3CH2OOH + H <=> CH3CH2OO + H2 # Reaction 535 rate-constant: {A: 4.3e+10, b: 0.0, Ea: 1860.0} - equation: CH3CH2OOH + H <=> CH3CH2O + H2O # Reaction 536 rate-constant: {A: 1.2e+10, b: 0.0, Ea: 1860.0} - equation: CH3CH2OOH + O <=> CH3CHOOH + OH # Reaction 537 rate-constant: {A: 1.6e+13, b: 0.0, Ea: 4750.0} - equation: CH3CH2OOH + O <=> CH3CH2OO + OH # Reaction 538 rate-constant: {A: 8.7e+12, b: 0.0, Ea: 4750.0} - equation: CH3CH2OOH + OH <=> CH3CHOOH + H2O # Reaction 539 rate-constant: {A: 7.2e+11, b: 0.0, Ea: -258.0} - equation: CH3CH2OOH + OH <=> CH3CH2OO + H2O # Reaction 540 rate-constant: {A: 1.1e+12, b: 0.0, Ea: -437.0} - equation: CH3CH2OOH + HO2 <=> CH3CH2OO + H2O2 # Reaction 541 rate-constant: {A: 4.1e+04, b: 2.5, Ea: 1.0206e+04} - equation: CH3CHOOH <=> CH3CHO + OH # Reaction 542 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 3.5e+12, b: -0.947, Ea: 979.0} - {P: 10.0 atm, A: 3.5e+13, b: -0.947, Ea: 980.0} - {P: 100.0 atm, A: 5.8e+14, b: -1.012, Ea: 1068.0} - equation: CH3CH2OO <=> CH2CH2OOH # Reaction 543 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0001 atm, A: 3.2e+31, b: -8.25, Ea: 2.936e+04} - {P: 0.0003 atm, A: 3.5e+30, b: -7.88, Ea: 2.933e+04} - {P: 0.001 atm, A: 1.5e+29, b: -7.37, Ea: 2.921e+04} - {P: 0.003 atm, A: 3.5e+27, b: -6.77, Ea: 2.9e+04} - {P: 0.01 atm, A: 3.6e+25, b: -6.04, Ea: 2.878e+04} - {P: 0.03 atm, A: 1.6e+24, b: -5.51, Ea: 2.88e+04} - {P: 0.1 atm, A: 1.4e+21, b: -4.4, Ea: 2.841e+04} - {P: 0.3 atm, A: 2.9e+19, b: -3.73, Ea: 2.849e+04} - {P: 1.0 atm, A: 1.3e+17, b: -2.81, Ea: 2.85e+04} - {P: 3.0 atm, A: 5.3e+14, b: -1.9, Ea: 2.847e+04} - {P: 10.0 atm, A: 4.7e+13, b: -1.4, Ea: 2.897e+04} - {P: 30.0 atm, A: 4.2e+12, b: -0.92, Ea: 2.938e+04} - {P: 100.0 atm, A: 1.9e+08, b: 0.57, Ea: 2.859e+04} - equation: CH3CH2OO <=> C2H4 + HO2 # Reaction 544 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0001 atm, A: 1.9e+46, b: -11.85, Ea: 3.644e+04} - {P: 0.0003 atm, A: 4.2e+46, b: -11.88, Ea: 3.682e+04} - {P: 0.001 atm, A: 3.6e+46, b: -11.77, Ea: 3.71e+04} - {P: 0.003 atm, A: 1.7e+46, b: -11.58, Ea: 3.733e+04} - {P: 0.01 atm, A: 4.4e+45, b: -11.28, Ea: 3.757e+04} - {P: 0.03 atm, A: 8.1e+44, b: -10.94, Ea: 3.778e+04} - {P: 0.1 atm, A: 4.6e+43, b: -10.43, Ea: 3.791e+04} - {P: 0.3 atm, A: 8.7e+41, b: -9.77, Ea: 3.786e+04} - {P: 1.0 atm, A: 8.7e+39, b: -9.01, Ea: 3.778e+04} - {P: 3.0 atm, A: 7.2e+36, b: -7.95, Ea: 3.724e+04} - {P: 10.0 atm, A: 4.3e+33, b: -6.84, Ea: 3.666e+04} - {P: 30.0 atm, A: 1.9e+30, b: -5.71, Ea: 3.591e+04} - {P: 100.0 atm, A: 1.6e+26, b: -4.37, Ea: 3.484e+04} - equation: CH3CH2OO <=> cC2H4O + OH # Reaction 545 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0001 atm, A: 2.0e+49, b: -13.32, Ea: 3.882e+04} - {P: 0.0003 atm, A: 1.7e+50, b: -13.52, Ea: 3.951e+04} - {P: 0.001 atm, A: 6.6e+50, b: -13.62, Ea: 4.018e+04} - {P: 0.003 atm, A: 3.9e+48, b: -12.85, Ea: 3.983e+04} - {P: 0.01 atm, A: 7.6e+48, b: -12.82, Ea: 4.062e+04} - {P: 0.03 atm, A: 9.7e+46, b: -12.11, Ea: 4.064e+04} - {P: 0.1 atm, A: 9.9e+46, b: -11.94, Ea: 4.167e+04} - {P: 0.3 atm, A: 1.3e+45, b: -11.2, Ea: 4.202e+04} - {P: 1.0 atm, A: 1.5e+44, b: -10.71, Ea: 4.304e+04} - {P: 3.0 atm, A: 1.0e+42, b: -9.86, Ea: 4.364e+04} - {P: 10.0 atm, A: 2.5e+39, b: -8.87, Ea: 4.429e+04} - {P: 30.0 atm, A: 1.9e+36, b: -7.75, Ea: 4.466e+04} - {P: 100.0 atm, A: 2.5e+31, b: -6.1, Ea: 4.456e+04} - equation: CH3CH2OO + H <=> CH3CH2O + OH # Reaction 546 rate-constant: {A: 9.6e+13, b: 0.0, Ea: 0.0} - equation: CH3CH2OO + O <=> CH3CH2O + O2 # Reaction 547 rate-constant: {A: 2.9e+10, b: 1.0, Ea: -724.0} - equation: CH3CH2OO + OH <=> CH3CH2OH + O2 # Reaction 548 rate-constant: {A: 5.1e+15, b: -0.81, Ea: 0.0} - equation: CH3CH2OO + HO2 <=> CH3CH2OOH + O2 # Reaction 549 rate-constant: {A: 3.6e+11, b: 0.0, Ea: -1267.0} - equation: CH3CH2OO + CO <=> CH3CH2O + CO2 # Reaction 550 rate-constant: {A: 1.6e+05, b: 2.18, Ea: 1.794e+04} - equation: CH3CH2OO + CH3 <=> CH3CH2O + CH3O # Reaction 551 rate-constant: {A: 5.1e+12, b: 0.0, Ea: -1411.0} - equation: CH3CH2OO + CH4 <=> CH3CH2OOH + CH3 # Reaction 552 rate-constant: {A: 12.0, b: 3.69, Ea: 2.13e+04} - equation: CH3CH2OO + CH3OH <=> CH3CH2OOH + CH2OH # Reaction 553 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 1.94e+04} - equation: CH3CH2OO + CH2O <=> CH3CH2OOH + HCO # Reaction 554 rate-constant: {A: 4.1e+04, b: 2.5, Ea: 1.0206e+04} - equation: CH3CH2OO + CH2O <=> CH3CH2OOH + H + CO # Reaction 555 rate-constant: {A: 2.5e+14, b: 0.027, Ea: 3.0133e+04} - equation: CH3CH2OO + C2H6 <=> CH3CH2OOH + C2H5 # Reaction 556 rate-constant: {A: 8.6, b: 3.76, Ea: 1.72e+04} - equation: CH3CH2OO + C2H5 <=> CH3CH2O + CH3CH2O # Reaction 557 rate-constant: {A: 5.1e+12, b: 0.0, Ea: -1411.0} - equation: CH3CH2OO + CH3CHO <=> CH3CH2OOH + CH3CO # Reaction 558 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 1.6293e+04} - equation: CH3CH2OO + CH3CHO <=> CH3CH2OOH + CH2CHO # Reaction 559 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 2.3248e+04} - equation: CH3CH2OO + CH3CH2OO <=> CH3CH2O + CH3CH2O + O2 # Reaction 560 rate-constant: {A: 2.2e+10, b: 0.0, Ea: 46.0} - equation: CH3CH2OO + CH3CH2OO <=> CH3CHO + CH3CH2OH + O2 # Reaction 561 rate-constant: {A: 5.6e+10, b: 0.0, Ea: 46.0} - equation: CH2CH2OOH <=> cC2H4O + OH # Reaction 562 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0001 atm, A: 2.2e+24, b: -5.76, Ea: 1.241e+04} - {P: 0.0003 atm, A: 7.3e+26, b: -6.39, Ea: 1.334e+04} - {P: 0.001 atm, A: 1.3e+29, b: -6.91, Ea: 1.424e+04} - {P: 0.003 atm, A: 1.7e+28, b: -6.45, Ea: 1.423e+04} - {P: 0.01 atm, A: 2.2e+30, b: -6.94, Ea: 1.522e+04} - {P: 0.03 atm, A: 1.4e+30, b: -6.7, Ea: 1.554e+04} - {P: 0.1 atm, A: 1.0e+32, b: -7.1, Ea: 1.661e+04} - {P: 0.3 atm, A: 6.3e+31, b: -6.87, Ea: 1.708e+04} - {P: 1.0 atm, A: 2.0e+31, b: -6.53, Ea: 1.755e+04} - {P: 3.0 atm, A: 1.2e+30, b: -6.0, Ea: 1.775e+04} - {P: 10.0 atm, A: 4.0e+27, b: -5.08, Ea: 1.755e+04} - {P: 30.0 atm, A: 7.8e+24, b: -4.12, Ea: 1.713e+04} - {P: 100.0 atm, A: 3.2e+21, b: -2.97, Ea: 1.64e+04} - equation: CH2CHOOH <=> CH2CHO + OH # Reaction 563 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 2.0e+35, b: -6.7, Ea: 4.745e+04} - {P: 10.0 atm, A: 1.1e+28, b: -4.15, Ea: 4.619e+04} - {P: 50.0 atm, A: 2.8e+26, b: -3.5, Ea: 4.634e+04} - {P: 100.0 atm, A: 2.2e+17, b: -0.42, Ea: 4.4622e+04} - equation: CH2CHOOH + H <=> CH2CHOO + H2 # Reaction 564 rate-constant: {A: 4.3e+10, b: 0.0, Ea: 1860.0} - equation: CH2CHOOH + H <=> CH2CHO + H2O # Reaction 565 rate-constant: {A: 1.2e+10, b: 0.0, Ea: 1860.0} - equation: CH2CHOOH + O <=> CH2CHOO + OH # Reaction 566 rate-constant: {A: 8.7e+12, b: 0.0, Ea: 4750.0} - equation: CH2CHOOH + OH <=> CH2CHOO + H2O # Reaction 567 rate-constant: {A: 1.1e+12, b: 0.0, Ea: -437.0} - equation: CH2CHOOH + HO2 <=> CH2CHOO + H2O2 # Reaction 568 rate-constant: {A: 4.1e+04, b: 2.5, Ea: 1.0206e+04} - equation: CH2CHOO <=> CHCHO + OH # Reaction 569 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.6e+49, b: -12.13, Ea: 6.742e+04} - {P: 0.1 atm, A: 1.4e+36, b: -9.92, Ea: 4.122e+04} - {P: 0.316 atm, A: 4.2e+40, b: -10.53, Ea: 4.367e+04} - {P: 1.0 atm, A: 3.8e+46, b: -10.72, Ea: 5.19e+04} - {P: 3.16 atm, A: 1.6e+49, b: -11.24, Ea: 5.415e+04} - {P: 10.0 atm, A: 2.4e+51, b: -11.64, Ea: 5.698e+04} - {P: 31.6 atm, A: 2.0e+54, b: -12.22, Ea: 6.184e+04} - {P: 100.0 atm, A: 9.5e+195, b: -52.27, Ea: 1.635e+05} - equation: CH2CHOO <=> CHCHO + OH # Reaction 570 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.2e+56, b: -14.81, Ea: 6.07e+04} - {P: 0.1 atm, A: 2.3e+40, b: -9.39, Ea: 5.042e+04} - {P: 0.316 atm, A: 1.6e+43, b: -9.99, Ea: 5.029e+04} - {P: 1.0 atm, A: 2.3e+124, b: -36.77, Ea: 7.01e+04} - {P: 3.16 atm, A: 1.9e+103, b: -29.49, Ea: 6.541e+04} - {P: 10.0 atm, A: 6.0e+86, b: -23.81, Ea: 6.217e+04} - {P: 31.6 atm, A: 1.5e+57, b: -13.94, Ea: 5.539e+04} - {P: 100.0 atm, A: 1.8e+34, b: -6.4, Ea: 5.0e+04} - equation: CH2CHOO <=> CH2CHO + O # Reaction 571 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.7e+180, b: -48.19, Ea: 1.693e+05} - {P: 0.1 atm, A: 3.9e+38, b: -8.69, Ea: 4.277e+04} - {P: 0.316 atm, A: 4.6e+47, b: -11.21, Ea: 4.705e+04} - {P: 1.0 atm, A: 7.6e+81, b: -21.28, Ea: 6.508e+04} - {P: 3.16 atm, A: 1.9e+68, b: -16.83, Ea: 6.068e+04} - {P: 10.0 atm, A: 2.0e+55, b: -12.69, Ea: 5.584e+04} - {P: 31.6 atm, A: 1.1e+53, b: -11.79, Ea: 5.669e+04} - {P: 100.0 atm, A: 4.3e+48, b: -10.31, Ea: 5.609e+04} - equation: CH2CHOO <=> CH2CHO + O # Reaction 572 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.5e+30, b: -6.64, Ea: 4.111e+04} - {P: 0.1 atm, A: 9.7e-12, b: 5.96, Ea: 2.289e+04} - {P: 0.316 atm, A: 4.0e+22, b: -3.71, Ea: 3.627e+04} - {P: 1.0 atm, A: 2.4e+33, b: -6.62, Ea: 4.128e+04} - {P: 3.16 atm, A: 6.4e+31, b: -5.96, Ea: 4.126e+04} - {P: 10.0 atm, A: 2.1e+29, b: -5.1, Ea: 4.071e+04} - {P: 31.6 atm, A: 4.7e+27, b: -4.5, Ea: 4.053e+04} - {P: 100.0 atm, A: 6.0e+25, b: -3.85, Ea: 4.012e+04} - equation: CH2CHOO <=> OCHCHO + H # Reaction 573 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 6.4e+80, b: -22.2, Ea: 5.175e+04} - {P: 0.1 atm, A: 3.3e+65, b: -17.01, Ea: 4.809e+04} - {P: 0.316 atm, A: 6.0e+51, b: -12.62, Ea: 4.3e+04} - {P: 1.0 atm, A: 1.5e+44, b: -10.12, Ea: 4.079e+04} - {P: 3.16 atm, A: 1.3e+59, b: -14.33, Ea: 5.139e+04} - {P: 10.0 atm, A: 4.9e+26, b: -4.67, Ea: 3.432e+04} - {P: 31.6 atm, A: 2.1e+33, b: -6.38, Ea: 3.952e+04} - {P: 100.0 atm, A: 1.3e+32, b: -5.92, Ea: 4.066e+04} - equation: CH2CHOO <=> OCHCHO + H # Reaction 574 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.2e+28, b: -6.01, Ea: 2.874e+04} - {P: 0.1 atm, A: 1.4e+25, b: -4.8, Ea: 2.894e+04} - {P: 0.316 atm, A: 2.9e+20, b: -3.29, Ea: 2.755e+04} - {P: 1.0 atm, A: 1.6e+19, b: -2.82, Ea: 2.762e+04} - {P: 3.16 atm, A: 1.9e+22, b: -3.54, Ea: 2.998e+04} - {P: 10.0 atm, A: 7.5e+29, b: -5.75, Ea: 3.449e+04} - {P: 31.6 atm, A: 7.1e+61, b: -16.16, Ea: 4.328e+04} - {P: 100.0 atm, A: 1.1e+19, b: -2.56, Ea: 2.967e+04} - equation: CH2CHOO <=> CH2CO + OH # Reaction 575 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.2e+47, b: -12.28, Ea: 7.533e+04} - {P: 0.1 atm, A: 8.4e+09, b: -2.06, Ea: 3.372e+04} - {P: 0.316 atm, A: 6.1e+04, b: 0.17, Ea: 3.422e+04} - {P: 1.0 atm, A: 1.5e+19, b: -3.61, Ea: 4.306e+04} - {P: 3.16 atm, A: 2.1e+33, b: -7.39, Ea: 5.161e+04} - {P: 10.0 atm, A: 4.4e+36, b: -7.99, Ea: 5.468e+04} - {P: 31.6 atm, A: 1.2e+37, b: -7.8, Ea: 5.646e+04} - {P: 100.0 atm, A: 9.1e+35, b: -7.21, Ea: 5.755e+04} - equation: CH2CHOO <=> CH2CO + OH # Reaction 576 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 230.0, b: -0.73, Ea: 2.571e+04} - {P: 0.1 atm, A: 1.8e-23, b: 7.84, Ea: 2.019e+04} - {P: 0.316 atm, A: 3.8e+63, b: -20.44, Ea: 4.342e+04} - {P: 1.0 atm, A: 3.2e+27, b: -7.76, Ea: 3.723e+04} - {P: 3.16 atm, A: 2.3e-05, b: 3.47, Ea: 3.156e+04} - {P: 10.0 atm, A: 0.11, b: 2.64, Ea: 3.416e+04} - {P: 31.6 atm, A: 560.0, b: 1.7, Ea: 3.645e+04} - {P: 100.0 atm, A: 1.1e+07, b: 0.52, Ea: 3.867e+04} - equation: CH2CHOO <=> CH2O + HCO # Reaction 577 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.7e+174, b: -55.52, Ea: 6.032e+04} - {P: 0.1 atm, A: 9.0e+66, b: -17.25, Ea: 4.812e+04} - {P: 0.316 atm, A: 1.8e+43, b: -9.87, Ea: 3.796e+04} - {P: 1.0 atm, A: 8.6e+33, b: -6.88, Ea: 3.437e+04} - {P: 3.16 atm, A: 7.3e+171, b: -43.53, Ea: 1.919e+05} - {P: 10.0 atm, A: 1.0e+32, b: -6.06, Ea: 3.55e+04} - {P: 31.6 atm, A: 1.9e+34, b: -6.57, Ea: 3.851e+04} - {P: 100.0 atm, A: 5.7e+29, b: -5.19, Ea: 3.68e+04} - equation: CH2CHOO <=> CH2O + HCO # Reaction 578 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.3e+35, b: -7.97, Ea: 3.128e+04} - {P: 0.1 atm, A: 2.1e+26, b: -4.96, Ea: 2.878e+04} - {P: 0.316 atm, A: 1.5e+20, b: -3.08, Ea: 2.663e+04} - {P: 1.0 atm, A: 1.1e+130, b: -39.38, Ea: 5.47e+04} - {P: 3.16 atm, A: 2.4e+34, b: -6.87, Ea: 3.57e+04} - {P: 10.0 atm, A: 2.2e+175, b: -53.78, Ea: 6.85e+04} - {P: 31.6 atm, A: 1.1e+185, b: -54.22, Ea: 8.899e+04} - {P: 100.0 atm, A: 470.0, b: 1.81, Ea: 1.81e+04} - equation: CH2CHOO <=> CH2O + H + CO # Reaction 579 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.9e+174, b: -55.52, Ea: 6.032e+04} - {P: 0.1 atm, A: 2.1e+67, b: -17.25, Ea: 4.812e+04} - {P: 0.316 atm, A: 4.3e+43, b: -9.87, Ea: 3.796e+04} - {P: 1.0 atm, A: 2.0e+34, b: -6.88, Ea: 3.437e+04} - {P: 3.16 atm, A: 1.7e+172, b: -43.53, Ea: 1.919e+05} - {P: 10.0 atm, A: 2.4e+32, b: -6.06, Ea: 3.55e+04} - {P: 31.6 atm, A: 4.3e+34, b: -6.57, Ea: 3.851e+04} - {P: 100.0 atm, A: 1.3e+30, b: -5.19, Ea: 3.68e+04} - equation: CH2CHOO <=> CH2O + H + CO # Reaction 580 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.3e+35, b: -7.97, Ea: 3.128e+04} - {P: 0.1 atm, A: 4.9e+26, b: -4.96, Ea: 2.878e+04} - {P: 0.316 atm, A: 3.4e+20, b: -3.08, Ea: 2.663e+04} - {P: 1.0 atm, A: 2.5e+130, b: -39.38, Ea: 5.47e+04} - {P: 3.16 atm, A: 5.5e+34, b: -6.87, Ea: 3.57e+04} - {P: 10.0 atm, A: 5.1e+175, b: -53.78, Ea: 6.85e+04} - {P: 31.6 atm, A: 2.5e+185, b: -54.22, Ea: 8.899e+04} - {P: 100.0 atm, A: 1100.0, b: 1.81, Ea: 1.81e+04} - equation: CH2CHOO <=> CO + CH3O # Reaction 581 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.2e+33, b: -7.92, Ea: 3.132e+04} - {P: 0.1 atm, A: 1.3e+98, b: -27.09, Ea: 6.406e+04} - {P: 0.316 atm, A: 1.8e+33, b: -7.27, Ea: 3.376e+04} - {P: 1.0 atm, A: 3.8e+33, b: -7.2, Ea: 3.51e+04} - {P: 3.16 atm, A: 1.3e+79, b: -19.61, Ea: 7.487e+04} - {P: 10.0 atm, A: 4.1e+32, b: -6.62, Ea: 3.721e+04} - {P: 31.6 atm, A: 6.9e+44, b: -10.04, Ea: 4.703e+04} - {P: 100.0 atm, A: 29.0, b: 2.492, Ea: 2.171e+04} - equation: CH2CHOO <=> CO + CH3O # Reaction 582 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.3e+129, b: -41.86, Ea: 4.585e+04} - {P: 0.1 atm, A: 2.4e+28, b: -5.99, Ea: 3.054e+04} - {P: 0.316 atm, A: 8.7e-50, b: 16.63, Ea: -3900.0} - {P: 1.0 atm, A: 1.2e-39, b: 13.61, Ea: -1317.0} - {P: 3.16 atm, A: 8.8e+86, b: -23.08, Ea: 6.101e+04} - {P: 10.0 atm, A: 1300.0, b: 1.44, Ea: 1.866e+04} - {P: 31.6 atm, A: 2.0e+17, b: -2.23, Ea: 2.859e+04} - {P: 100.0 atm, A: 29.0, b: 2.492, Ea: 2.171e+04} - equation: CH2CHOO <=> CO2 + CH3 # Reaction 583 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.1e+33, b: -7.95, Ea: 3.129e+04} - {P: 0.1 atm, A: 1.2e+118, b: -33.13, Ea: 7.379e+04} - {P: 0.316 atm, A: 8.6e+32, b: -7.21, Ea: 3.355e+04} - {P: 1.0 atm, A: 3.3e+33, b: -7.22, Ea: 3.499e+04} - {P: 3.16 atm, A: 3.5e-79, b: 25.01, Ea: -2.102e+04} - {P: 10.0 atm, A: 8.2e+32, b: -6.76, Ea: 3.727e+04} - {P: 31.6 atm, A: 7.0e+37, b: -8.06, Ea: 4.22e+04} - {P: 100.0 atm, A: 6.7e+48, b: -11.657, Ea: 4.408e+04} - equation: CH2CHOO <=> CO2 + CH3 # Reaction 584 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.2e+122, b: -39.75, Ea: 4.364e+04} - {P: 0.1 atm, A: 2.0e+29, b: -6.29, Ea: 3.092e+04} - {P: 0.316 atm, A: 5.1e-66, b: 21.37, Ea: -1.111e+04} - {P: 1.0 atm, A: 1.8e-47, b: 15.85, Ea: -5283.0} - {P: 3.16 atm, A: 3.8e+32, b: -6.8, Ea: 3.569e+04} - {P: 10.0 atm, A: 4.6, b: 2.1, Ea: 1.717e+04} - {P: 31.6 atm, A: 3.5e+14, b: -1.58, Ea: 2.647e+04} - {P: 100.0 atm, A: 1900.0, b: 2.081, Ea: 2.5118e+04} - equation: CH2CHOO + H <=> CH2CHO + OH # Reaction 585 rate-constant: {A: 9.6e+13, b: 0.0, Ea: 0.0} - equation: CH2CHOO + O <=> CH2CHO + O2 # Reaction 586 rate-constant: {A: 1.6e+13, b: 0.0, Ea: -145.0} - equation: CH2CHOO + OH <=> CH2CHOH + O2 # Reaction 587 rate-constant: {A: 2.0e+15, b: -0.6, Ea: 0.0} - equation: CH2CHOO + OH <=> CH2CHO + HO2 # Reaction 588 rate-constant: {A: 4.0e+11, b: 0.6, Ea: 0.0} - equation: CH2CHOO + HO2 <=> CH2CHOOH + O2 # Reaction 589 rate-constant: {A: 4.5e+11, b: 0.0, Ea: -1391.0} - equation: CH2CHOO + CO <=> CH2CHO + CO2 # Reaction 590 rate-constant: {A: 1.6e+05, b: 2.18, Ea: 1.794e+04} - equation: CH2CHOO + CH3 <=> CH2CHO + CH3O # Reaction 591 rate-constant: {A: 5.1e+12, b: 0.0, Ea: -1411.0} - equation: CH2CHOO + CH4 <=> CH2CHOOH + CH3 # Reaction 592 rate-constant: {A: 4.7e+04, b: 2.5, Ea: 2.1e+04} - equation: CH2CHOO + CH3OH <=> CH2CHOOH + CH2OH # Reaction 593 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 1.94e+04} - equation: CH2CHOO + CH2O <=> CH2CHOOH + HCO # Reaction 594 rate-constant: {A: 4.1e+04, b: 2.5, Ea: 1.0206e+04} - equation: CH2CHOO + C2H6 <=> CH2CHOOH + C2H5 # Reaction 595 rate-constant: {A: 8.6, b: 3.76, Ea: 1.72e+04} - equation: OCHCHO <=> CH2O + CO # Reaction 596 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.009869 atm, A: 4.2e+53, b: -12.5, Ea: 7.0845e+04} - {P: 0.04935 atm, A: 5.1e+54, b: -12.6, Ea: 7.3012e+04} - {P: 0.09869 atm, A: 1.0e+55, b: -12.6, Ea: 7.3877e+04} - {P: 0.4935 atm, A: 4.5e+55, b: -12.6, Ea: 7.5869e+04} - {P: 0.9869 atm, A: 8.0e+55, b: -12.6, Ea: 7.6713e+04} - {P: 4.935 atm, A: 1.1e+56, b: -12.2, Ea: 7.7643e+04} - {P: 9.869 atm, A: 5.5e+56, b: -12.6, Ea: 7.9964e+04} - equation: OCHCHO <=> HCOH + CO # Reaction 597 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.009869 atm, A: 8.4e+52, b: -12.6, Ea: 7.2393e+04} - {P: 0.04935 atm, A: 8.3e+54, b: -12.9, Ea: 7.5113e+04} - {P: 0.09869 atm, A: 4.4e+55, b: -13.0, Ea: 7.6257e+04} - {P: 0.4935 atm, A: 1.3e+57, b: -13.2, Ea: 7.8851e+04} - {P: 0.9869 atm, A: 2.6e+57, b: -13.2, Ea: 7.9754e+04} - {P: 4.935 atm, A: 1.0e+57, b: -12.9, Ea: 8.1161e+04} - {P: 9.869 atm, A: 5.7e+59, b: -13.3, Ea: 8.3539e+04} - equation: OCHCHO <=> CO + CO + H2 # Reaction 598 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.009869 atm, A: 6.0e+51, b: -12.1, Ea: 7.1854e+04} - {P: 0.04935 atm, A: 1.4e+54, b: -12.5, Ea: 7.4751e+04} - {P: 0.09869 atm, A: 1.8e+55, b: -12.7, Ea: 7.6137e+04} - {P: 0.4935 atm, A: 1.3e+57, b: -13.0, Ea: 7.8972e+04} - {P: 0.9869 atm, A: 6.1e+57, b: -13.1, Ea: 8.0147e+04} - {P: 4.935 atm, A: 5.8e+57, b: -12.9, Ea: 8.1871e+04} - {P: 9.869 atm, A: 3.4e+59, b: -13.3, Ea: 8.4294e+04} - equation: OCHCHO <=> HCO + HCO # Reaction 599 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.009869 atm, A: 1.0e+42, b: -9.7, Ea: 7.3534e+04} - {P: 0.04935 atm, A: 6.0e+48, b: -11.1, Ea: 7.7462e+04} - {P: 0.09869 atm, A: 1.7e+51, b: -11.6, Ea: 7.9111e+04} - {P: 0.4935 atm, A: 5.3e+55, b: -12.5, Ea: 8.2774e+04} - {P: 0.9869 atm, A: 1.9e+57, b: -12.8, Ea: 8.4321e+04} - {P: 4.935 atm, A: 2.2e+59, b: -13.1, Ea: 8.7258e+04} - {P: 9.869 atm, A: 3.0e+60, b: -13.3, Ea: 8.8993e+04} - equation: OCHCHO + H <=> CH2O + HCO # Reaction 600 rate-constant: {A: 5.4e+13, b: 0.0, Ea: 4300.0} - equation: OCHCHO + H <=> CH2O + H + CO # Reaction 601 rate-constant: {A: 3.2e+23, b: -2.473, Ea: 2.4227e+04} - equation: OCHCHO + O <=> OCHCO + OH # Reaction 602 rate-constant: {A: 4.2e+11, b: 0.57, Ea: 2760.0} - equation: OCHCHO + OH <=> OCHCO + H2O # Reaction 603 rate-constant: {A: 4.0e+06, b: 2.0, Ea: -1630.0} - equation: OCHCHO + HO2 <=> HOCHO + CO + OH # Reaction 604 rate-constant: {A: 3.3e-04, b: 3.995, Ea: 300.0} - equation: OCHCHO + HO2 <=> OCHCO + H2O2 # Reaction 605 rate-constant: {A: 4.1e+04, b: 2.5, Ea: 1.0206e+04} - equation: OCHCHO + O2 <=> OCHCO + HO2 # Reaction 606 rate-constant: {A: 2.4e+05, b: 2.5, Ea: 3.6461e+04} - equation: OCHCO <=> HCO + CO # Reaction 607 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.8e+12, b: 0.0, Ea: 8610.0} - {P: 0.01 atm, A: -8.0e+21, b: -2.359, Ea: 2.742e+04} - {P: 0.1 atm, A: 3.8e+13, b: 0.0, Ea: 8665.0} - {P: 1.0 atm, A: 4.1e+14, b: 0.0, Ea: 8765.0} - {P: 100.0 atm, A: 1.1e+14, b: 0.133, Ea: 1.014e+04} - equation: OCHCO <=> H + CO + CO # Reaction 608 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 8.0e+21, b: -2.359, Ea: 2.742e+04} - {P: 0.1 atm, A: 2.3e+23, b: -2.473, Ea: 2.8592e+04} - {P: 1.0 atm, A: 2.5e+24, b: -2.473, Ea: 2.8692e+04} - {P: 100.0 atm, A: 1.4e+24, b: -2.419, Ea: 3.0991e+04} - equation: OCHCO + O2 <=> CO + CO2 + OH # Reaction 609 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.6e+14, b: 0.0, Ea: 1540.0} - {P: 0.1 atm, A: 1.1e+14, b: 0.0, Ea: 1300.0} - {P: 1.0 atm, A: 3.3e+14, b: 0.0, Ea: 2075.0} - equation: HOCHO (+M) <=> CO + H2O (+M) # Reaction 610 type: falloff low-P-rate-constant: {A: 4.1e+15, b: 0.0, Ea: 5.298e+04} high-P-rate-constant: {A: 7.5e+14, b: 0.0, Ea: 6.871e+04} - equation: HOCHO (+M) <=> CO2 + H2 (+M) # Reaction 611 type: falloff low-P-rate-constant: {A: 1.7e+15, b: 0.0, Ea: 5.111e+04} high-P-rate-constant: {A: 4.5e+13, b: 0.0, Ea: 6.824e+04} - equation: HOCHO + H <=> HOCO + H2 # Reaction 612 rate-constant: {A: 230.0, b: 3.272, Ea: 4858.0} - equation: HOCHO + H <=> OCHO + H2 # Reaction 613 rate-constant: {A: 4.2e+05, b: 2.255, Ea: 1.4091e+04} - equation: HOCHO + O <=> HOCO + OH # Reaction 614 rate-constant: {A: 51.0, b: 3.422, Ea: 4216.0} - equation: HOCHO + O <=> OCHO + OH # Reaction 615 rate-constant: {A: 1.7e+05, b: 2.103, Ea: 9880.0} - equation: HOCHO + OH <=> HOCO + H2O # Reaction 616 rate-constant: {A: 7.8e-06, b: 5.57, Ea: -2365.0} - equation: HOCHO + OH <=> OCHO + H2O # Reaction 617 rate-constant: {A: 4.9e-05, b: 4.91, Ea: -5067.0} - equation: HOCHO + HO2 <=> HOCO + H2O2 # Reaction 618 rate-constant: {A: 0.47, b: 3.975, Ea: 1.6787e+04} - equation: HOCHO + HO2 <=> OCHO + H2O2 # Reaction 619 rate-constant: {A: 39.0, b: 3.08, Ea: 2.5206e+04} - equation: HOCO + HO2 <=> HOCHO + O2 # Reaction 620 rate-constant: {A: 4.0e+11, b: 0.0, Ea: 0.0} - equation: HOCHO + O2 <=> OCHO + HO2 # Reaction 621 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 6.3e+04} - equation: OCHO <=> CO2 + H # Reaction 622 rate-constant: {A: 1.0e+10, b: 0.0, Ea: 0.0} - equation: OCHO + O2 <=> CO2 + HO2 # Reaction 623 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: HOCH2CH2OO <=> CH2O + CH2O + OH # Reaction 624 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 5.6e+13, b: -1.9, Ea: 1.4338e+04} - {P: 0.1 atm, A: 2.2e+14, b: -1.92, Ea: 1.487e+04} - {P: 1.0 atm, A: 2.0e+15, b: -2.03, Ea: 1.5913e+04} - {P: 10.0 atm, A: 5.0e+16, b: -2.26, Ea: 1.7552e+04} - {P: 100.0 atm, A: 3.8e+18, b: -2.6, Ea: 1.9972e+04} - equation: HOCH2CH2OO <=> CH2CHOH + HO2 # Reaction 625 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 2.0e+09, b: -1.01, Ea: 1.316e+04} - {P: 0.1 atm, A: 2.1e+09, b: -0.81, Ea: 1.3598e+04} - {P: 1.0 atm, A: 1.4e+10, b: -0.78, Ea: 1.4836e+04} - {P: 10.0 atm, A: 8.5e+11, b: -1.01, Ea: 1.7045e+04} - {P: 100.0 atm, A: 5.8e+14, b: -1.51, Ea: 2.0561e+04} - equation: HOCH2CH2OO + HO2 => CH2OOH + CH2OH + O2 # Reaction 626 rate-constant: {A: 2.5e+11, b: 0.0, Ea: -1490.0} - equation: HOCH2CH2OO + CH2O => CH2OOH + CH2OH + HCO # Reaction 627 rate-constant: {A: 4.1e+04, b: 2.5, Ea: 1.0206e+04} - equation: HOCH2CH2OO + C2H4 => CH2O + CH2OH + CH3CHO # Reaction 628 rate-constant: {A: 2.2e+12, b: 0.0, Ea: 1.72e+04} - equation: NH2 + H (+M) <=> NH3 (+M) # Reaction 629 type: falloff low-P-rate-constant: {A: 3.6e+22, b: -1.76, Ea: 0.0} high-P-rate-constant: {A: 1.6e+14, b: 0.0, Ea: 0.0} Troe: {A: 0.5, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: NH3 + H <=> NH2 + H2 # Reaction 630 rate-constant: {A: 6.4e+05, b: 2.39, Ea: 1.0171e+04} - equation: NH3 + O <=> NH2 + OH # Reaction 631 rate-constant: {A: 9.4e+06, b: 1.94, Ea: 6460.0} - equation: NH3 + OH <=> NH2 + H2O # Reaction 632 rate-constant: {A: 2.0e+06, b: 2.04, Ea: 566.0} - equation: NH3 + HO2 <=> NH2 + H2O2 # Reaction 633 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 2.2e+04} - equation: NH + H2 <=> NH2 + H # Reaction 634 rate-constant: {A: 2.1e+13, b: 0.0, Ea: 1.5417e+04} - equation: NH2 + O <=> HNO + H # Reaction 635 rate-constant: {A: 6.6e+14, b: -0.5, Ea: 0.0} - equation: NH2 + O <=> NH + OH # Reaction 636 duplicate: true rate-constant: {A: 7.0e+12, b: 0.0, Ea: 0.0} - equation: NH2 + O <=> NH + OH # Reaction 637 duplicate: true rate-constant: {A: 0.86, b: 4.01, Ea: 1673.0} - equation: NH2 + OH <=> NH + H2O # Reaction 638 rate-constant: {A: 3.3e+06, b: 1.949, Ea: -217.0} - equation: NH2 + HO2 <=> NH3 + O2 # Reaction 639 rate-constant: {A: 1.7e+04, b: 1.55, Ea: 2027.0} - equation: NH2 + HO2 <=> H2NO + OH # Reaction 640 rate-constant: {A: 2.5e+17, b: -1.28, Ea: 1166.0} - equation: NH2 + HO2 <=> HNO + H2O # Reaction 641 duplicate: true rate-constant: {A: 1.6e+07, b: 0.55, Ea: 525.0} - equation: NH2 + HO2 <=> HNO + H2O # Reaction 642 duplicate: true rate-constant: {A: 5.7e+15, b: -1.12, Ea: 707.0} - equation: NH2 + HO2 <=> HON + H2O # Reaction 643 rate-constant: {A: 2.1e+07, b: 0.64, Ea: 811.0} - equation: NH2 + O2 <=> H2NO + O # Reaction 644 rate-constant: {A: 2.6e+11, b: 0.4872, Ea: 2.905e+04} - equation: NH2 + O2 <=> HNO + OH # Reaction 645 rate-constant: {A: 0.029, b: 3.764, Ea: 1.8185e+04} - equation: NH2 + NH2 <=> NH3 + NH # Reaction 646 rate-constant: {A: 5.6, b: 3.53, Ea: 552.0} - equation: NH2 + NH <=> NH3 + N # Reaction 647 rate-constant: {A: 9600.0, b: 2.46, Ea: 107.0} - equation: NH2 + N <=> N2 + H + H # Reaction 648 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} - equation: NH2 + HNO <=> NH3 + NO # Reaction 649 rate-constant: {A: 590.0, b: 2.95, Ea: -3469.0} - equation: NH2 + NO <=> N2 + H2O # Reaction 650 rate-constant: {A: 2.6e+19, b: -2.369, Ea: 870.0} - equation: NH2 + NO <=> NNH + OH # Reaction 651 rate-constant: {A: 4.3e+10, b: 0.294, Ea: -866.0} - equation: NH2 + HONO <=> NH3 + NO2 # Reaction 652 rate-constant: {A: 71.0, b: 3.02, Ea: -4940.0} - equation: NH2 + NO2 <=> H2NO + NO # Reaction 653 rate-constant: {A: 8.6e+11, b: 0.11, Ea: -1186.0} - equation: NH2 + NO2 <=> N2O + H2O # Reaction 654 rate-constant: {A: 2.2e+11, b: 0.11, Ea: -1186.0} - equation: NH + H <=> N + H2 # Reaction 655 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: NH + O <=> NO + H # Reaction 656 rate-constant: {A: 9.2e+13, b: 0.0, Ea: 0.0} - equation: NH + OH <=> HNO + H # Reaction 657 rate-constant: {A: 3.2e+14, b: -0.376, Ea: -46.0} - equation: NH + OH <=> N + H2O # Reaction 658 rate-constant: {A: 1.6e+07, b: 1.733, Ea: -576.0} - equation: NH + O2 <=> HNO + O # Reaction 659 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 1.385e+04} - equation: NH + O2 <=> NO + OH # Reaction 660 rate-constant: {A: 9.9e+10, b: 0.0, Ea: 1530.0} - equation: NH + NH <=> NH2 + N # Reaction 661 rate-constant: {A: 0.57, b: 3.88, Ea: 342.0} - equation: NH + N <=> N2 + H # Reaction 662 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: NH + NO <=> N2O + H # Reaction 663 rate-constant: {A: 2.7e+15, b: -0.78, Ea: 20.0} - equation: NH + NO <=> N2 + OH # Reaction 664 rate-constant: {A: 6.8e+14, b: -0.78, Ea: 20.0} - equation: NH + HONO <=> NH2 + NO2 # Reaction 665 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: NH + NO2 <=> N2O + OH # Reaction 666 rate-constant: {A: 4.1e+12, b: 0.0, Ea: 0.0} - equation: NH + NO2 <=> HNO + NO # Reaction 667 rate-constant: {A: 5.9e+12, b: 0.0, Ea: 0.0} - equation: N + OH <=> NO + H # Reaction 668 rate-constant: {A: 3.8e+13, b: 0.0, Ea: 0.0} - equation: N + O2 <=> NO + O # Reaction 669 rate-constant: {A: 5.9e+09, b: 1.0, Ea: 6280.0} - equation: N + NO <=> N2 + O # Reaction 670 rate-constant: {A: 9.4e+12, b: 0.14, Ea: 0.0} - equation: NNH <=> N2 + H # Reaction 671 rate-constant: {A: 1.0e+09, b: 0.0, Ea: 0.0} - equation: NNH + H <=> N2 + H2 # Reaction 672 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: NNH + O <=> N2O + H # Reaction 673 rate-constant: {A: 1.9e+14, b: -0.274, Ea: -22.0} - equation: NNH + O <=> N2 + OH # Reaction 674 rate-constant: {A: 1.2e+13, b: 0.145, Ea: -217.0} - equation: NNH + O <=> NH + NO # Reaction 675 rate-constant: {A: 5.2e+11, b: 0.381, Ea: -409.0} - equation: NNH + OH <=> N2 + H2O # Reaction 676 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: NNH + O2 <=> N2 + HO2 # Reaction 677 rate-constant: {A: 5.6e+14, b: -0.385, Ea: -13.0} - equation: NNH + NH <=> N2 + NH2 # Reaction 678 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: NNH + NH2 <=> N2 + NH3 # Reaction 679 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: NNH + NO <=> N2 + HNO # Reaction 680 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: NH2OH (+M) <=> NH2 + OH (+M) # Reaction 681 type: falloff low-P-rate-constant: {A: 5.4e+37, b: -5.96, Ea: 6.6783e+04} high-P-rate-constant: {A: 1.4e+20, b: -1.31, Ea: 6.408e+04} Troe: {A: 0.31, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: NH2OH + H <=> HNOH + H2 # Reaction 682 rate-constant: {A: 4.8e+08, b: 1.5, Ea: 6249.0} - equation: NH2OH + H <=> H2NO + H2 # Reaction 683 rate-constant: {A: 2.4e+08, b: 1.5, Ea: 5067.0} - equation: NH2OH + O <=> HNOH + OH # Reaction 684 rate-constant: {A: 3.3e+08, b: 1.5, Ea: 3865.0} - equation: NH2OH + O <=> H2NO + OH # Reaction 685 rate-constant: {A: 1.7e+08, b: 1.5, Ea: 3010.0} - equation: NH2OH + OH <=> HNOH + H2O # Reaction 686 rate-constant: {A: 1.5e+04, b: 2.61, Ea: -3537.0} - equation: NH2OH + OH <=> H2NO + H2O # Reaction 687 rate-constant: {A: 1.5e+05, b: 2.28, Ea: -1296.0} - equation: NH2OH + NH2 <=> HNOH + NH3 # Reaction 688 rate-constant: {A: 0.11, b: 4.0, Ea: -97.0} - equation: NH2OH + NH2 <=> H2NO + NH3 # Reaction 689 rate-constant: {A: 9.5, b: 3.42, Ea: -1013.0} - equation: NH2OH + NH <=> HNOH + NH2 # Reaction 690 rate-constant: {A: 2.9e-03, b: 4.4, Ea: 1564.0} - equation: NH2OH + NH <=> H2NO + NH2 # Reaction 691 rate-constant: {A: 1.5e-03, b: 4.6, Ea: 2424.0} - equation: NH2OH + HO2 <=> HNOH + H2O2 # Reaction 692 rate-constant: {A: 2.9e+04, b: 2.69, Ea: 9557.0} - equation: NH2OH + HO2 <=> H2NO + H2O2 # Reaction 693 rate-constant: {A: 1.4e+04, b: 2.69, Ea: 6418.0} - equation: H2NO + M <=> HNO + H + M # Reaction 694 type: three-body rate-constant: {A: 2.8e+24, b: -2.83, Ea: 6.4915e+04} efficiencies: {H2O: 10.0} - equation: H2NO + M <=> HNOH + M # Reaction 695 type: three-body rate-constant: {A: 1.1e+29, b: -4.0, Ea: 4.4e+04} efficiencies: {H2O: 10.0} - equation: H2NO + H <=> HNO + H2 # Reaction 696 rate-constant: {A: 3.0e+07, b: 2.0, Ea: 2000.0} - equation: H2NO + H <=> NH2 + OH # Reaction 697 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: H2NO + O <=> HNO + OH # Reaction 698 rate-constant: {A: 3.0e+07, b: 2.0, Ea: 2000.0} - equation: H2NO + OH <=> HNO + H2O # Reaction 699 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: H2NO + HO2 <=> HNO + H2O2 # Reaction 700 rate-constant: {A: 2.9e+04, b: 2.69, Ea: -1600.0} - equation: H2NO + O2 <=> HNO + HO2 # Reaction 701 rate-constant: {A: 230.0, b: 2.994, Ea: 1.65e+04} - equation: H2NO + NH2 <=> HNO + NH3 # Reaction 702 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 1000.0} - equation: H2NO + NO <=> HNO + HNO # Reaction 703 rate-constant: {A: 2.0e+04, b: 2.0, Ea: 1.3e+04} - equation: H2NO + NO2 <=> HONO + HNO # Reaction 704 rate-constant: {A: 4.4e+04, b: 2.64, Ea: 4040.0} - equation: HNOH + M <=> HNO + H + M # Reaction 705 type: three-body rate-constant: {A: 2.0e+24, b: -2.84, Ea: 5.8934e+04} efficiencies: {H2O: 10.0} - equation: HNOH + H <=> NH2 + OH # Reaction 706 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: HNOH + H <=> HNO + H2 # Reaction 707 rate-constant: {A: 4.8e+08, b: 1.5, Ea: 378.0} - equation: HNOH + O <=> HNO + OH # Reaction 708 duplicate: true rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} - equation: HNOH + O <=> HNO + OH # Reaction 709 duplicate: true rate-constant: {A: 3.3e+08, b: 1.5, Ea: -358.0} - equation: HNOH + OH <=> HNO + H2O # Reaction 710 rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1192.0} - equation: HNOH + HO2 <=> HNO + H2O2 # Reaction 711 rate-constant: {A: 2.9e+04, b: 2.69, Ea: -1600.0} - equation: HNOH + HO2 <=> NH2OH + O2 # Reaction 712 rate-constant: {A: 2.9e+04, b: 2.69, Ea: -1600.0} - equation: HNOH + O2 <=> HNO + HO2 # Reaction 713 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 2.5e+04} - equation: HNOH + NH2 <=> NH3 + HNO # Reaction 714 rate-constant: {A: 1.8e+06, b: 1.94, Ea: -1152.0} - equation: HNOH + NO2 <=> HONO + HNO # Reaction 715 rate-constant: {A: 6.0e+11, b: 0.0, Ea: 2000.0} - equation: NO + H (+M) <=> HNO (+M) # Reaction 716 type: falloff low-P-rate-constant: {A: 2.4e+14, b: 0.206, Ea: -1550.0} high-P-rate-constant: {A: 1.5e+15, b: -0.41, Ea: 0.0} Troe: {A: 0.82, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} efficiencies: {N2: 1.6} - equation: HNO + H <=> NO + H2 # Reaction 717 rate-constant: {A: 6.6e+10, b: 0.94, Ea: 495.0} - equation: HNO + O <=> NO + OH # Reaction 718 rate-constant: {A: 2.3e+13, b: 0.0, Ea: 0.0} - equation: HNO + OH <=> NO + H2O # Reaction 719 rate-constant: {A: 1.2e+09, b: 1.189, Ea: 334.0} - equation: HNO + HO2 <=> HNO2 + OH # Reaction 720 rate-constant: {A: 2000.0, b: 2.36, Ea: 8980.0} - equation: HNO + O2 <=> HO2 + NO # Reaction 721 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.6e+04} - equation: HNO + HNO <=> N2O + H2O # Reaction 722 rate-constant: {A: 9.0e+08, b: 0.0, Ea: 3100.0} - equation: HNO + NO2 <=> HONO + NO # Reaction 723 rate-constant: {A: 4.4e+04, b: 2.64, Ea: 4040.0} - equation: NO + HO2 <=> NO2 + OH # Reaction 724 rate-constant: {A: 2.1e+12, b: 0.0, Ea: -497.0} - equation: NO + O (+M) <=> NO2 (+M) # Reaction 725 type: falloff low-P-rate-constant: {A: 4.72e+24, b: -2.87, Ea: 1550.0} high-P-rate-constant: {A: 1.3e+15, b: -0.75, Ea: 0.0} Troe: {A: 0.75, T3: 1000.0, T1: 1.0e+05, T2: 1.0e+30} - equation: NO2 + H <=> NO + OH # Reaction 726 rate-constant: {A: 1.3e+14, b: 0.0, Ea: 362.0} - equation: NO2 + O <=> NO + O2 # Reaction 727 rate-constant: {A: 1.1e+14, b: -0.52, Ea: 0.0} - equation: NO2 + HO2 <=> HONO + O2 # Reaction 728 rate-constant: {A: 1.9, b: 3.32, Ea: 3044.0} - equation: NO2 + HO2 <=> HNO2 + O2 # Reaction 729 rate-constant: {A: 19.0, b: 3.26, Ea: 4983.0} - equation: NO2 + NO2 <=> NO + NO + O2 # Reaction 730 rate-constant: {A: 4.5e+12, b: 0.0, Ea: 2.7599e+04} - equation: NO2 + NO2 <=> NO3 + NO # Reaction 731 rate-constant: {A: 9.6e+09, b: 0.73, Ea: 2.09e+04} - equation: NO + OH (+M) <=> HONO (+M) # Reaction 732 type: falloff low-P-rate-constant: {A: 3.392e+23, b: -2.5, Ea: 0.0} high-P-rate-constant: {A: 1.1e+14, b: -0.3, Ea: 0.0} Troe: {A: 0.75, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: NO2 + H2 <=> HONO + H # Reaction 733 duplicate: true rate-constant: {A: 18.0, b: 3.51, Ea: 2.63e+04} - equation: NO2 + H2 <=> HONO + H # Reaction 734 duplicate: true rate-constant: {A: 24.0, b: 3.62, Ea: 3.58e+04} - equation: HONO + H <=> HNO + OH # Reaction 735 rate-constant: {A: 5.6e+10, b: 0.86, Ea: 5000.0} - equation: HONO + H <=> NO + H2O # Reaction 736 rate-constant: {A: 8.1e+06, b: 1.89, Ea: 3850.0} - equation: HONO + O <=> NO2 + OH # Reaction 737 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 5960.0} - equation: HONO + OH <=> NO2 + H2O # Reaction 738 rate-constant: {A: 1.7e+12, b: 0.0, Ea: -520.0} - equation: HONO + NO2 <=> HONO2 + NO # Reaction 739 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 3.27e+04} - equation: HONO + HONO <=> NO + NO2 + H2O # Reaction 740 rate-constant: {A: 0.35, b: 3.64, Ea: 1.214e+04} - equation: HNO2 (+M) <=> HONO (+M) # Reaction 741 type: falloff low-P-rate-constant: {A: 3.1e+18, b: 0.0, Ea: 3.15e+04} high-P-rate-constant: {A: 2.5e+14, b: 0.0, Ea: 3.23e+04} Troe: {A: 1.149, T3: 1.0e-30, T1: 3125.0, T2: 1.0e+30} - equation: NO2 + H2 <=> HNO2 + H # Reaction 742 rate-constant: {A: 240.0, b: 3.15, Ea: 3.11e+04} - equation: HNO2 + O <=> NO2 + OH # Reaction 743 rate-constant: {A: 1.7e+08, b: 1.5, Ea: 2000.0} - equation: HNO2 + OH <=> NO2 + H2O # Reaction 744 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: NO2 + O (+M) <=> NO3 (+M) # Reaction 745 type: falloff low-P-rate-constant: {A: 2.5e+20, b: -1.5, Ea: 0.0} high-P-rate-constant: {A: 3.5e+12, b: 0.24, Ea: 0.0} Troe: {A: 0.71, T3: 1.0e-30, T1: 1700.0, T2: 1.0e+30} - equation: NO3 + H <=> NO2 + OH # Reaction 746 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: NO3 + O <=> NO2 + O2 # Reaction 747 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: NO3 + OH <=> NO2 + HO2 # Reaction 748 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 0.0} - equation: NO3 + HO2 <=> NO2 + O2 + OH # Reaction 749 rate-constant: {A: 1.5e+12, b: 0.0, Ea: 0.0} - equation: NO3 + NO2 <=> NO + NO2 + O2 # Reaction 750 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 2940.0} - equation: NO2 + OH (+M) <=> HONO2 (+M) # Reaction 751 type: falloff low-P-rate-constant: {A: 2.938e+25, b: -3.0, Ea: 0.0} high-P-rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} Troe: {A: 0.4, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: HONO2 + H <=> H2 + NO3 # Reaction 752 rate-constant: {A: 5.6e+08, b: 1.5, Ea: 1.64e+04} - equation: HONO2 + H <=> H2O + NO2 # Reaction 753 rate-constant: {A: 61.0, b: 3.3, Ea: 6285.0} - equation: HONO2 + H <=> OH + HONO # Reaction 754 rate-constant: {A: 3.8e+05, b: 2.3, Ea: 6976.0} - equation: HONO2 + OH <=> H2O + NO3 # Reaction 755 rate-constant: {A: 1.0e+10, b: 0.0, Ea: -1240.0} - equation: N2O (+M) <=> N2 + O (+M) # Reaction 756 type: falloff low-P-rate-constant: {A: 6.0e+14, b: 0.0, Ea: 5.7444e+04} high-P-rate-constant: {A: 9.9e+10, b: 0.0, Ea: 5.7901e+04} efficiencies: {N2: 1.7, O2: 1.4, H2O: 12.0} - equation: N2O + H <=> N2 + OH # Reaction 757 rate-constant: {A: 6.4e+07, b: 1.835, Ea: 1.3492e+04} - equation: N2O + O <=> NO + NO # Reaction 758 rate-constant: {A: 9.2e+13, b: 0.0, Ea: 2.7679e+04} - equation: N2O + O <=> N2 + O2 # Reaction 759 rate-constant: {A: 9.2e+13, b: 0.0, Ea: 2.7679e+04} - equation: N2O + OH <=> N2 + HO2 # Reaction 760 rate-constant: {A: 0.013, b: 4.72, Ea: 3.656e+04} - equation: N2O + OH <=> HNO + NO # Reaction 761 rate-constant: {A: 1.2e-04, b: 4.33, Ea: 2.508e+04} - equation: N2O + NO <=> NO2 + N2 # Reaction 762 rate-constant: {A: 5.3e+05, b: 2.23, Ea: 4.628e+04} - equation: NH2 + NH2 <=> N2H2 + H2 # Reaction 763 rate-constant: {A: 1.7e+08, b: 1.62, Ea: 1.1783e+04} - equation: NH2 + NH2 <=> H2NN + H2 # Reaction 764 rate-constant: {A: 7.2e+04, b: 1.88, Ea: 8802.0} - equation: NH2 + NH <=> N2H2 + H # Reaction 765 rate-constant: {A: 4.3e+14, b: -0.272, Ea: -77.0} - equation: HNOH + NH2 <=> N2H3 + OH # Reaction 766 rate-constant: {A: 10.0, b: 3.46, Ea: -467.0} - equation: HNOH + NH2 <=> H2NN + H2O # Reaction 767 rate-constant: {A: 8.8e+16, b: -1.08, Ea: 1113.0} - equation: NH2 + NH2 (+M) <=> N2H4 (+M) # Reaction 768 type: falloff low-P-rate-constant: {A: 1.6e+34, b: -5.49, Ea: 1987.0} high-P-rate-constant: {A: 5.6e+14, b: -0.414, Ea: 66.0} Troe: {A: 0.31, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: N2H4 <=> H2NN + H2 # Reaction 769 rate-constant: {A: 1.4e+14, b: 0.0, Ea: 7.4911e+04} - equation: N2H4 + H <=> N2H3 + H2 # Reaction 770 rate-constant: {A: 7.0e+12, b: 0.0, Ea: 2500.0} - equation: N2H4 + H <=> NH3 + NH2 # Reaction 771 rate-constant: {A: 2.3e+05, b: 1.42, Ea: 8202.0} - equation: N2H4 + O <=> N2H3 + OH # Reaction 772 rate-constant: {A: 1.5e+11, b: 0.0, Ea: -1270.0} - equation: N2H4 + O <=> N2H2 + H2O # Reaction 773 rate-constant: {A: 2.9e+11, b: 0.0, Ea: -1270.0} - equation: N2H4 + OH <=> N2H3 + H2O # Reaction 774 rate-constant: {A: 1.3e+13, b: 0.0, Ea: -318.0} - equation: N2H4 + NH2 <=> N2H3 + NH3 # Reaction 775 rate-constant: {A: 0.76, b: 4.0, Ea: 4048.0} - equation: N2H4 + NO <=> N2H3 + HNO # Reaction 776 rate-constant: {A: 60.0, b: 3.16, Ea: 3.0845e+04} - equation: N2H4 + NO2 <=> N2H3 + HONO # Reaction 777 rate-constant: {A: 82.0, b: 3.13, Ea: 8860.0} - equation: N2H4 + NO2 <=> N2H3 + HNO2 # Reaction 778 rate-constant: {A: 0.024, b: 4.14, Ea: 7946.0} - equation: N2H2 + H <=> N2H3 # Reaction 779 rate-constant: {A: 1.3e+14, b: 0.0, Ea: 3871.0} - equation: N2H3 + H <=> N2H2 + H2 # Reaction 780 rate-constant: {A: 2.4e+08, b: 1.5, Ea: -10.0} - equation: N2H3 + O <=> N2H2 + OH # Reaction 781 rate-constant: {A: 1.7e+08, b: 1.5, Ea: -646.0} - equation: N2H3 + O <=> NH2 + HNO # Reaction 782 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: N2H3 + O => NH2 + NO + H # Reaction 783 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: N2H3 + OH <=> N2H2 + H2O # Reaction 784 rate-constant: {A: 1.2e+06, b: 2.0, Ea: -1192.0} - equation: N2H3 + OH <=> H2NN + H2O # Reaction 785 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: N2H3 + OH <=> NH3 + HNO # Reaction 786 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.5e+04} - equation: N2H3 + HO2 <=> N2H2 + H2O2 # Reaction 787 rate-constant: {A: 1.4e+04, b: 2.69, Ea: -1600.0} - equation: N2H3 + HO2 <=> N2H4 + O2 # Reaction 788 rate-constant: {A: 9.2e+05, b: 1.94, Ea: 2126.0} - equation: N2H3 + NH2 <=> N2H2 + NH3 # Reaction 789 rate-constant: {A: 9.2e+05, b: 1.94, Ea: -1152.0} - equation: N2H3 + NH2 <=> H2NN + NH3 # Reaction 790 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: N2H3 + NH <=> N2H2 + NH2 # Reaction 791 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: N2H2 + M <=> NNH + H + M # Reaction 792 type: three-body rate-constant: {A: 1.9e+27, b: -3.05, Ea: 6.6107e+04} efficiencies: {H2O: 7.0} - equation: N2H2 + H <=> NNH + H2 # Reaction 793 rate-constant: {A: 1.1e+14, b: 0.0, Ea: 3128.0} - equation: N2H2 + O <=> NNH + OH # Reaction 794 rate-constant: {A: 3.3e+08, b: 1.5, Ea: 497.0} - equation: N2H2 + O <=> NH2 + NO # Reaction 795 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: N2H2 + OH <=> NNH + H2O # Reaction 796 rate-constant: {A: 59.0, b: 3.4, Ea: 1360.0} - equation: N2H2 + NH2 <=> NNH + NH3 # Reaction 797 rate-constant: {A: 0.088, b: 4.05, Ea: 1610.0} - equation: N2H2 + NH <=> NNH + NH2 # Reaction 798 rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1192.0} - equation: N2H2 + NO <=> N2O + NH2 # Reaction 799 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 1.1922e+04} - equation: H2NN <=> NNH + H # Reaction 800 rate-constant: {A: 3.4e+26, b: -4.83, Ea: 4.6228e+04} - equation: H2NN <=> N2 + H2 # Reaction 801 rate-constant: {A: 2.5e+14, b: 0.0, Ea: 5.2785e+04} - equation: H2NN <=> N2H2 # Reaction 802 rate-constant: {A: 1.3e+14, b: 0.0, Ea: 4.6931e+04} - equation: H2NN + H <=> NNH + H2 # Reaction 803 rate-constant: {A: 4.8e+08, b: 1.5, Ea: -894.0} - equation: H2NN + H <=> N2H2 + H # Reaction 804 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} - equation: H2NN + O <=> NNH + OH # Reaction 805 rate-constant: {A: 3.3e+08, b: 1.5, Ea: -894.0} - equation: H2NN + O <=> NH2 + NO # Reaction 806 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} - equation: H2NN + OH <=> NNH + H2O # Reaction 807 rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1192.0} - equation: H2NN + OH => NH2 + NO + H # Reaction 808 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: H2NN + HO2 => NH2 + NO + OH # Reaction 809 rate-constant: {A: 9.0e+12, b: 0.0, Ea: 0.0} - equation: H2NN + HO2 <=> NNH + H2O2 # Reaction 810 rate-constant: {A: 2.9e+04, b: 2.69, Ea: -1600.0} - equation: H2NN + O2 <=> NH2 + NO2 # Reaction 811 rate-constant: {A: 1.5e+12, b: 0.0, Ea: 5961.0} - equation: H2NN + NH2 <=> NNH + NH3 # Reaction 812 rate-constant: {A: 1.8e+06, b: 1.94, Ea: -1152.0} - equation: HCN + M <=> H + CN + M # Reaction 813 type: three-body rate-constant: {A: 3.4e+35, b: -5.13, Ea: 1.33e+05} efficiencies: {N2: 0.0, O2: 1.5, H2O: 10.0} - equation: HCN + N2 <=> H + CN + N2 # Reaction 814 rate-constant: {A: 3.6e+26, b: -2.6, Ea: 1.2489e+05} - equation: HCN + M <=> HNC + M # Reaction 815 type: three-body rate-constant: {A: 1.6e+26, b: -3.23, Ea: 5.49e+04} efficiencies: {AR: 0.7, H2O: 7.0, CO2: 2.0} - equation: CN + H2 <=> HCN + H # Reaction 816 rate-constant: {A: 1.1e+05, b: 2.6, Ea: 1908.0} - equation: HCN + O <=> NCO + H # Reaction 817 rate-constant: {A: 1.4e+04, b: 2.64, Ea: 4980.0} - equation: HCN + O <=> NH + CO # Reaction 818 rate-constant: {A: 3500.0, b: 2.64, Ea: 4980.0} - equation: HCN + O <=> CN + OH # Reaction 819 rate-constant: {A: 4.2e+10, b: 0.4, Ea: 2.0665e+04} - equation: HCN + OH <=> CN + H2O # Reaction 820 rate-constant: {A: 3.9e+06, b: 1.83, Ea: 1.03e+04} - equation: HCN + OH <=> HOCN + H # Reaction 821 rate-constant: {A: 5.9e+04, b: 2.43, Ea: 1.25e+04} - equation: HCN + OH <=> HNCO + H # Reaction 822 rate-constant: {A: 2.0e-03, b: 4.0, Ea: 1000.0} - equation: HCN + OH <=> NH2 + CO # Reaction 823 rate-constant: {A: 7.8e-04, b: 4.0, Ea: 4000.0} - equation: HCN + O2 <=> CN + HO2 # Reaction 824 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 7.51e+04} - equation: HCN + CN <=> NCCN + H # Reaction 825 rate-constant: {A: 1.5e+07, b: 1.71, Ea: 1530.0} - equation: HNC + H <=> HCN + H # Reaction 826 rate-constant: {A: 7.8e+13, b: 0.0, Ea: 3600.0} - equation: HNC + O <=> NH + CO # Reaction 827 rate-constant: {A: 4.6e+12, b: 0.0, Ea: 2200.0} - equation: HNC + OH <=> HNCO + H # Reaction 828 rate-constant: {A: 3.6e+12, b: 0.0, Ea: -479.0} - equation: HNC + OH <=> CN + H2O # Reaction 829 rate-constant: {A: 300.0, b: 3.16, Ea: 1.06e+04} - equation: CN + O <=> CO + N # Reaction 830 rate-constant: {A: 1.9e+12, b: 0.46, Ea: 723.0} - equation: CN + OH <=> NCO + H # Reaction 831 rate-constant: {A: 1.0e+15, b: -0.437, Ea: 0.0} - equation: CN + O2 <=> NCO + O # Reaction 832 rate-constant: {A: 5.8e+12, b: 0.0, Ea: -417.0} - equation: CN + O2 <=> NO + CO # Reaction 833 rate-constant: {A: 1.4e+12, b: 0.0, Ea: -417.0} - equation: CN + NO <=> NCO + N # Reaction 834 rate-constant: {A: 9.6e+13, b: 0.0, Ea: 4.21e+04} - equation: CN + NO2 <=> NCO + NO # Reaction 835 rate-constant: {A: 5.3e+15, b: -0.752, Ea: 344.0} - equation: CN + NO2 <=> CO + N2O # Reaction 836 rate-constant: {A: 4.9e+14, b: -0.752, Ea: 344.0} - equation: CN + NO2 <=> N2 + CO2 # Reaction 837 rate-constant: {A: 3.7e+14, b: -0.752, Ea: 344.0} - equation: CN + HNO <=> HCN + NO # Reaction 838 rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0} - equation: CN + HONO <=> HCN + NO2 # Reaction 839 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: CN + HNCO <=> HCN + NCO # Reaction 840 rate-constant: {A: 3.2e+13, b: 0.0, Ea: 9670.0} - equation: CN + HNCO <=> HNCN + CO # Reaction 841 rate-constant: {A: 7.7e+13, b: 0.0, Ea: 9430.0} - equation: CN + NCO <=> NCN + CO # Reaction 842 rate-constant: {A: 1.3e+13, b: 0.0, Ea: -308.0} - equation: HNCO + M <=> CO + NH + M # Reaction 843 type: three-body rate-constant: {A: 1.1e+16, b: 0.0, Ea: 8.6e+04} efficiencies: {N2: 1.5} - equation: HNCO + H <=> NH2 + CO # Reaction 844 rate-constant: {A: 3.6e+04, b: 2.49, Ea: 2345.0} - equation: HNCO + H <=> NCO + H2 # Reaction 845 rate-constant: {A: 9.0e+07, b: 1.66, Ea: 1.39e+04} - equation: HNCO + O <=> NCO + OH # Reaction 846 rate-constant: {A: 2.2e+06, b: 2.11, Ea: 1.143e+04} - equation: HNCO + O <=> NH + CO2 # Reaction 847 rate-constant: {A: 9.6e+07, b: 1.41, Ea: 8520.0} - equation: HNCO + O <=> HNO + CO # Reaction 848 rate-constant: {A: 1.5e+08, b: 1.57, Ea: 4.4012e+04} - equation: HNCO + OH <=> NCO + H2O # Reaction 849 rate-constant: {A: 3.5e+07, b: 1.5, Ea: 3600.0} - equation: HNCO + HO2 <=> NCO + H2O2 # Reaction 850 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 2.2e+04} - equation: HNCO + O2 <=> HNO + CO2 # Reaction 851 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 5.89e+04} - equation: HNCO + H2O <=> NH3 + CO2 # Reaction 852 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.85e+04} - equation: HNCO + NH <=> NH2 + NCO # Reaction 853 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 2.37e+04} - equation: HNCO + HNCO <=> HNCNH + CO2 # Reaction 854 rate-constant: {A: 6.9e+11, b: 0.0, Ea: 4.21e+04} - equation: HOCN + H <=> HNCO + H # Reaction 855 rate-constant: {A: 3.1e+08, b: 0.84, Ea: 1917.0} - equation: HOCN + H <=> NH2 + CO # Reaction 856 rate-constant: {A: 1.2e+08, b: 0.61, Ea: 2076.0} - equation: HOCN + H <=> H2 + NCO # Reaction 857 rate-constant: {A: 2.4e+08, b: 1.5, Ea: 6617.0} - equation: HOCN + O <=> OH + NCO # Reaction 858 rate-constant: {A: 1.7e+08, b: 1.5, Ea: 4133.0} - equation: HOCN + OH <=> H2O + NCO # Reaction 859 rate-constant: {A: 1.2e+06, b: 2.0, Ea: -248.0} - equation: HOCN + NH2 <=> NCO + NH3 # Reaction 860 rate-constant: {A: 9.2e+05, b: 1.94, Ea: 3646.0} - equation: HCNO <=> HCN + O # Reaction 861 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 2.0e+30, b: -6.03, Ea: 6.0733e+04} - {P: 1.0 atm, A: 4.2e+31, b: -6.12, Ea: 6.121e+04} - {P: 10.0 atm, A: 5.9e+31, b: -5.85, Ea: 6.1935e+04} - equation: HCNO + H <=> HCN + OH # Reaction 862 rate-constant: {A: 7.2e+10, b: 0.841, Ea: 8612.0} - equation: HCNO + O <=> HCO + NO # Reaction 863 rate-constant: {A: 6.3e+13, b: 0.0, Ea: 0.0} - equation: HCNO + O <=> NCO + OH # Reaction 864 rate-constant: {A: 7.0e+12, b: 0.0, Ea: 0.0} - equation: HCNO + OH <=> CO + H2NO # Reaction 865 rate-constant: {A: 1.0e+13, b: 0.0, Ea: -1490.0} - equation: HCNO + OH <=> HCO + HNO # Reaction 866 rate-constant: {A: 6.0e+12, b: 0.0, Ea: -1490.0} - equation: HCNO + CN <=> HCN + NCO # Reaction 867 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: HCNO + NCO <=> HCN + NO + CO # Reaction 868 rate-constant: {A: 9.6e+12, b: 0.0, Ea: 0.0} - equation: NCO + M <=> N + CO + M # Reaction 869 type: three-body rate-constant: {A: 2.2e+14, b: 0.0, Ea: 5.405e+04} efficiencies: {N2: 1.5} - equation: NCO + H <=> CO + NH # Reaction 870 rate-constant: {A: 7.2e+13, b: 0.0, Ea: 1000.0} - equation: NCO + O <=> NO + CO # Reaction 871 rate-constant: {A: 2.0e+15, b: -0.5, Ea: 0.0} - equation: NCO + OH <=> HON + CO # Reaction 872 rate-constant: {A: 5.3e+12, b: -0.07, Ea: 5126.0} - equation: NCO + OH <=> H + CO + NO # Reaction 873 rate-constant: {A: 8.3e+12, b: -0.05, Ea: 1.8042e+04} - equation: NCO + HO2 <=> HNCO + O2 # Reaction 874 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: NCO + O2 <=> NO + CO2 # Reaction 875 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 2.0e+04} - equation: NCO + NO <=> N2O + CO # Reaction 876 rate-constant: {A: 4.0e+19, b: -2.19, Ea: 1743.0} - equation: NCO + NO <=> N2 + CO2 # Reaction 877 rate-constant: {A: 1.5e+21, b: -2.74, Ea: 1824.0} - equation: NCO + NO2 <=> CO + NO + NO # Reaction 878 rate-constant: {A: 2.5e+11, b: 0.0, Ea: -707.0} - equation: NCO + NO2 <=> CO2 + N2O # Reaction 879 rate-constant: {A: 3.0e+12, b: 0.0, Ea: -707.0} - equation: NCO + HNO <=> HNCO + NO # Reaction 880 rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0} - equation: NCO + HONO <=> HNCO + NO2 # Reaction 881 rate-constant: {A: 3.6e+12, b: 0.0, Ea: 0.0} - equation: NCO + NH3 <=> HNCO + NH2 # Reaction 882 rate-constant: {A: 2.8e+04, b: 2.48, Ea: 980.0} - equation: NCO + N <=> N2 + CO # Reaction 883 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: NCO + NCO <=> CO + CO + N2 # Reaction 884 rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0} - equation: CH3CN <=> CH2CN + H # Reaction 885 rate-constant: {A: 7.9e+14, b: 0.0, Ea: 9.494e+04} - equation: CH3CN + H <=> HCN + CH3 # Reaction 886 rate-constant: {A: 4.4e+10, b: 0.8, Ea: 6800.0} - equation: CH3CN + H <=> HNC + CH3 # Reaction 887 rate-constant: {A: 2.8e+15, b: -0.32, Ea: 2.003e+04} - equation: CH3CN + H <=> CH2CN + H2 # Reaction 888 rate-constant: {A: 6.0e+04, b: 3.01, Ea: 8522.0} - equation: CH3CN + O <=> CH3 + NCO # Reaction 889 rate-constant: {A: 6.0e+09, b: 1.8, Ea: 8130.0} - equation: CH3CN + O <=> CH2CN + OH # Reaction 890 rate-constant: {A: 4.7e+08, b: 1.18, Ea: 1.436e+04} - equation: CH3CN + OH <=> CH2CN + H2O # Reaction 891 rate-constant: {A: 2.0e+07, b: 2.0, Ea: 2000.0} - equation: CH3CN + CH3 <=> CH2CN + CH4 # Reaction 892 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 7000.0} - equation: CH3CN + CN <=> CH2CN + HCN # Reaction 893 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 2000.0} - equation: CH2CN + O <=> CH2O + CN # Reaction 894 rate-constant: {A: 1.3e+12, b: 0.64, Ea: 0.0} - equation: CH2OH + CN <=> CH2CN + OH # Reaction 895 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CO + NO2 <=> NO + CO2 # Reaction 896 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 3.38e+04} - equation: CO + N2O <=> N2 + CO2 # Reaction 897 rate-constant: {A: 2.7e+11, b: 0.0, Ea: 2.0237e+04} - equation: CO2 + N <=> NO + CO # Reaction 898 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 2.0e+04} - equation: CO2 + CN <=> NCO + CO # Reaction 899 rate-constant: {A: 3.7e+06, b: 2.16, Ea: 2.69e+04} - equation: HOCO + NO <=> CO + HONO # Reaction 900 rate-constant: {A: 1.5e+12, b: 0.0, Ea: 0.0} - equation: CH2O + NO2 <=> HONO + HCO # Reaction 901 rate-constant: {A: 1.4e-07, b: 5.64, Ea: 9220.0} - equation: CH2O + NO2 <=> HNO2 + HCO # Reaction 902 rate-constant: {A: 0.11, b: 4.22, Ea: 1.985e+04} - equation: CH2O + CN <=> HCO + HCN # Reaction 903 rate-constant: {A: 1700.0, b: 2.72, Ea: -1427.0} - equation: CH2O + NCO <=> HNCO + HCO # Reaction 904 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: HCO + NO <=> HNO + CO # Reaction 905 rate-constant: {A: 6.9e+12, b: 0.0, Ea: 0.0} - equation: HCO + HNO <=> NO + CH2O # Reaction 906 rate-constant: {A: 0.58, b: 3.84, Ea: 115.0} - equation: HCO + NO2 <=> NO + CO2 + H # Reaction 907 rate-constant: {A: 2.3e+13, b: 0.0, Ea: 0.0} - equation: HCO + NO2 <=> HONO + CO # Reaction 908 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: HCO + NO2 <=> NO + CO + OH # Reaction 909 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: HCO + NCO <=> HNCO + CO # Reaction 910 rate-constant: {A: 3.6e+13, b: 0.0, Ea: 0.0} - equation: CH4 + NH2 <=> CH3 + NH3 # Reaction 911 rate-constant: {A: 1500.0, b: 3.01, Ea: 9940.0} - equation: CH4 + NO2 <=> CH3 + HONO # Reaction 912 duplicate: true rate-constant: {A: 0.11, b: 4.28, Ea: 2.63e+04} - equation: CH4 + NO2 <=> CH3 + HONO # Reaction 913 duplicate: true rate-constant: {A: 74.0, b: 3.42, Ea: 3.31e+04} - equation: CH4 + NO2 <=> CH3 + HNO2 # Reaction 914 rate-constant: {A: 0.4, b: 4.18, Ea: 3.12e+04} - equation: CH4 + CN <=> CH3 + HCN # Reaction 915 rate-constant: {A: 8.6e+05, b: 2.3, Ea: -32.0} - equation: CH4 + NCO <=> CH3 + HNCO # Reaction 916 rate-constant: {A: 9.8e+12, b: 0.0, Ea: 8120.0} - equation: CH3 + NH2 <=> CH4 + NH # Reaction 917 rate-constant: {A: 2.8e+06, b: 1.94, Ea: 9210.0} - equation: CH3 + NH2 <=> CH2 + NH3 # Reaction 918 rate-constant: {A: 1.6e+06, b: 1.87, Ea: 7570.0} - equation: CH3 + NH <=> CH2NH + H # Reaction 919 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH3 + NH <=> N + CH4 # Reaction 920 rate-constant: {A: 8.2e+05, b: 1.87, Ea: 5852.0} - equation: CH3 + N <=> H2CN + H # Reaction 921 rate-constant: {A: 7.1e+13, b: 0.0, Ea: 0.0} - equation: CH3 + H2NO <=> CH3O + NH2 # Reaction 922 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3 + H2NO <=> CH4 + HNO # Reaction 923 rate-constant: {A: 1.6e+06, b: 1.87, Ea: 2961.0} - equation: CH3 + HNO <=> NO + CH4 # Reaction 924 rate-constant: {A: 1.5e+11, b: 0.76, Ea: 348.0} - equation: CH3 + HNO <=> CH3NO + H # Reaction 925 rate-constant: {A: 8100.0, b: 2.4, Ea: 6160.0} - equation: CH3 + NO <=> HCN + H2O # Reaction 926 rate-constant: {A: 0.15, b: 3.52, Ea: 3950.0} - equation: CH3 + NO <=> H2CN + OH # Reaction 927 rate-constant: {A: 0.15, b: 3.52, Ea: 3950.0} - equation: CH3 + NO2 <=> CH3O + NO # Reaction 928 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 0.0} - equation: CH3 + CN <=> CH2CN + H # Reaction 929 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH3 + HOCN <=> CH3CN + OH # Reaction 930 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 2000.0} - equation: CH2 + N2 <=> HCN + NH # Reaction 931 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 7.4e+04} - equation: CH2 + N <=> HCN + H # Reaction 932 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH2 + NO <=> HCNO + H # Reaction 933 rate-constant: {A: 3.1e+12, b: 0.0, Ea: -378.0} - equation: CH2 + NO <=> HCN + OH # Reaction 934 rate-constant: {A: 3.9e+11, b: 0.0, Ea: -378.0} - equation: CH2 + NO2 <=> CH2O + NO # Reaction 935 rate-constant: {A: 5.9e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + NH3 <=> CH2NH2 + H # Reaction 936 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + NO <=> HCN + OH # Reaction 937 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + NO <=> CH2 + NO # Reaction 938 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH2(S) + N2O <=> CH2O + N2 # Reaction 939 rate-constant: {A: 3.8e+13, b: 0.0, Ea: 0.0} - equation: CH + N2 <=> H + NCN # Reaction 940 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.9e+08, b: 1.06, Ea: 1.596e+04} - {P: 0.03 atm, A: 5.9e+08, b: 1.06, Ea: 1.595e+04} - {P: 0.1 atm, A: 6.2e+08, b: 1.05, Ea: 1.596e+04} - {P: 0.3 atm, A: 9.0e+08, b: 1.01, Ea: 1.612e+04} - {P: 1.0 atm, A: 2.5e+09, b: 0.89, Ea: 1.662e+04} - {P: 3.0 atm, A: 9.2e+09, b: 0.75, Ea: 1.741e+04} - {P: 10.0 atm, A: 3.0e+10, b: 0.62, Ea: 1.848e+04} - {P: 30.0 atm, A: 3.8e+10, b: 0.62, Ea: 1.946e+04} - {P: 100.0 atm, A: 9.5e+09, b: 0.81, Ea: 2.034e+04} - equation: CH + N2 <=> HNCN # Reaction 941 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 6.0e+23, b: -4.41, Ea: 1.441e+04} - {P: 0.03 atm, A: 7.3e+23, b: -4.3, Ea: 1.476e+04} - {P: 0.1 atm, A: 7.3e+23, b: -4.17, Ea: 1.52e+04} - {P: 0.3 atm, A: 4.8e+23, b: -4.0, Ea: 1.557e+04} - {P: 1.0 atm, A: 1.4e+23, b: -3.74, Ea: 1.582e+04} - {P: 3.0 atm, A: 1.7e+22, b: -3.38, Ea: 1.584e+04} - {P: 10.0 atm, A: 6.8e+20, b: -2.9, Ea: 1.569e+04} - {P: 30.0 atm, A: 1.8e+19, b: -2.37, Ea: 1.543e+04} - {P: 100.0 atm, A: 3.1e+17, b: -1.78, Ea: 1.524e+04} - equation: CH + NH3 <=> H2CN + H + H # Reaction 942 rate-constant: {A: 4.4e+13, b: 0.0, Ea: -630.0} - equation: CH + N <=> CN + H # Reaction 943 rate-constant: {A: 1.3e+13, b: 0.0, Ea: 0.0} - equation: CH + NO <=> CO + NH # Reaction 944 rate-constant: {A: 9.1e+12, b: 0.0, Ea: 0.0} - equation: CH + NO <=> NCO + H # Reaction 945 rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0} - equation: CH + NO <=> HCN + O # Reaction 946 rate-constant: {A: 7.9e+13, b: 0.0, Ea: 0.0} - equation: CH + NO <=> CN + OH # Reaction 947 rate-constant: {A: 1.1e+12, b: 0.0, Ea: 0.0} - equation: CH + NO <=> HCO + N # Reaction 948 rate-constant: {A: 6.8e+12, b: 0.0, Ea: 0.0} - equation: CH + NO2 <=> HCO + NO # Reaction 949 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CN + N <=> C + N2 # Reaction 950 rate-constant: {A: 5.9e+14, b: -0.4, Ea: 0.0} - equation: CH + N2O <=> HCN + NO # Reaction 951 rate-constant: {A: 1.9e+13, b: 0.0, Ea: -511.0} - equation: C + NO <=> CN + O # Reaction 952 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C + NO <=> CO + N # Reaction 953 rate-constant: {A: 2.8e+13, b: 0.0, Ea: 0.0} - equation: C + N2O <=> CN + NO # Reaction 954 rate-constant: {A: 4.8e+12, b: 0.0, Ea: 0.0} - equation: CH3OH + NO2 <=> HONO + CH2OH # Reaction 955 rate-constant: {A: 150.0, b: 3.32, Ea: 2.0035e+04} - equation: CH3OH + NO2 <=> HNO2 + CH2OH # Reaction 956 rate-constant: {A: 2400.0, b: 2.9, Ea: 2.747e+04} - equation: CH3O + HNO <=> NO + CH3OH # Reaction 957 rate-constant: {A: 3.2e+13, b: 0.0, Ea: 0.0} - equation: CH3O + NO <=> HNO + CH2O # Reaction 958 duplicate: true rate-constant: {A: 7.5e+12, b: 0.0, Ea: 2017.0} - equation: CH3O + NO <=> HNO + CH2O # Reaction 959 duplicate: true rate-constant: {A: 2.5e+18, b: -2.56, Ea: 0.0} - equation: CH3O + NO2 <=> HONO + CH2O # Reaction 960 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 2285.0} - equation: CH2OH + HNO <=> NO + CH3OH # Reaction 961 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2OH + NO <=> HNCO + H2O # Reaction 962 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: CH2OH + NO2 <=> HONO + CH2O # Reaction 963 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CH3OO + NO <=> CH3O + NO2 # Reaction 964 rate-constant: {A: 1.4e+12, b: 0.0, Ea: -715.0} - equation: C2H6 + NH2 <=> C2H5 + NH3 # Reaction 965 rate-constant: {A: 45.0, b: 3.46, Ea: 5600.0} - equation: C2H6 + NO2 <=> C2H5 + HONO # Reaction 966 duplicate: true rate-constant: {A: 3.3, b: 3.84, Ea: 2.39e+04} - equation: C2H6 + NO2 <=> C2H5 + HONO # Reaction 967 duplicate: true rate-constant: {A: 85.0, b: 3.45, Ea: 3.2e+04} - equation: C2H6 + NO2 <=> C2H5 + HNO2 # Reaction 968 rate-constant: {A: 320.0, b: 3.19, Ea: 2.65e+04} - equation: C2H6 + CN <=> C2H5 + HCN # Reaction 969 rate-constant: {A: 1.2e+08, b: 1.8, Ea: -994.0} - equation: C2H6 + NCO <=> C2H5 + HNCO # Reaction 970 rate-constant: {A: 1.5e-09, b: 6.89, Ea: -2910.0} - equation: C2H5 + N <=> C2H4 + NH # Reaction 971 rate-constant: {A: 4.3e+13, b: 0.0, Ea: 0.0} - equation: C2H5 + N <=> CH3 + H2CN # Reaction 972 rate-constant: {A: 2.3e+13, b: 0.0, Ea: 0.0} - equation: C2H5 + NO2 <=> CH3CH2O + NO # Reaction 973 rate-constant: {A: 4.0e+13, b: -0.2, Ea: 0.0} - equation: C2H4 + NH2 <=> C2H3 + NH3 # Reaction 974 rate-constant: {A: 5.3e+12, b: 0.0, Ea: 1.0274e+04} - equation: C2H3 + NO <=> HCN + CH2O # Reaction 975 rate-constant: {A: 7.0e+21, b: -3.382, Ea: 1025.0} - equation: C2H3 + HONO <=> C2H4 + NO2 # Reaction 976 rate-constant: {A: 8.1e+05, b: 1.87, Ea: 5504.0} - equation: C2H3 + HNO2 <=> C2H4 + NO2 # Reaction 977 rate-constant: {A: 8.1e+05, b: 1.87, Ea: 4838.0} - equation: C2H3 + NO2 <=> CH2CHO + NO # Reaction 978 rate-constant: {A: 7.7e+14, b: -0.6, Ea: 0.0} - equation: C2H2 + NCO <=> HCCO + HCN # Reaction 979 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1815.0} - equation: C2H + NH3 <=> C2H2 + NH2 # Reaction 980 rate-constant: {A: 7.2e+12, b: 0.0, Ea: -735.0} - equation: C2H + NO <=> HCN + CO # Reaction 981 rate-constant: {A: 4.6e+13, b: 0.0, Ea: 570.0} - equation: C2H + NO <=> CN + HCO # Reaction 982 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 570.0} - equation: C2H + NO2 <=> HCCO + NO # Reaction 983 rate-constant: {A: 4.6e+13, b: 0.0, Ea: -258.0} - equation: C2 + N2 <=> CN + CN # Reaction 984 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 4.173e+04} - equation: C2 + NO <=> C2O + N # Reaction 985 rate-constant: {A: 2.3e+13, b: 0.0, Ea: 8640.0} - equation: CH3CH2O + NO <=> CH3CHO + HNO # Reaction 986 rate-constant: {A: 6.6e+12, b: 0.0, Ea: 0.0} - equation: CH3CH2O + NO2 <=> CH3CHO + HONO # Reaction 987 rate-constant: {A: 1.7e+12, b: 0.0, Ea: 0.0} - equation: CH2CH2OH + NO2 => CH2O + CH2OH + NO # Reaction 988 rate-constant: {A: 7.0e+12, b: 0.0, Ea: 0.0} - equation: CH2CHO + NO <=> HCN + HOCHO # Reaction 989 rate-constant: {A: 7.0e+21, b: -3.382, Ea: 1025.0} - equation: CH2CHO + NO2 <=> CH2CO + HONO # Reaction 990 rate-constant: {A: 2.0e+15, b: -0.68, Ea: 1430.0} - equation: CH3CO + NO2 => CH3 + CO2 + NO # Reaction 991 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} - equation: HCCO + N <=> HCN + CO # Reaction 992 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: HCCO + NO <=> HCNO + CO # Reaction 993 rate-constant: {A: 7.5e+12, b: 0.0, Ea: -676.0} - equation: HCCO + NO <=> HCN + CO2 # Reaction 994 rate-constant: {A: 2.1e+12, b: 0.0, Ea: -676.0} - equation: HCCO + NO2 <=> HCNO + CO2 # Reaction 995 rate-constant: {A: 1.6e+13, b: 0.0, Ea: 0.0} - equation: C2O + NO <=> CO + NCO # Reaction 996 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 670.0} - equation: C2O + NO2 <=> CO2 + NCO # Reaction 997 rate-constant: {A: 5.1e+13, b: 0.0, Ea: 125.0} - equation: NCN + M <=> C + N2 + M # Reaction 998 type: three-body rate-constant: {A: 8.9e+14, b: 0.0, Ea: 6.21e+04} - equation: H + NCN <=> HNCN # Reaction 999 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.9e+23, b: -4.34, Ea: 5347.0} - {P: 0.03 atm, A: 3.3e+25, b: -4.71, Ea: 4102.0} - {P: 0.1 atm, A: 5.6e+27, b: -5.13, Ea: 3741.0} - {P: 0.3 atm, A: 1.7e+29, b: -5.36, Ea: 3947.0} - {P: 1.0 atm, A: 1.5e+30, b: -5.43, Ea: 4415.0} - {P: 3.0 atm, A: 2.6e+30, b: -5.34, Ea: 4870.0} - {P: 10.0 atm, A: 1.2e+30, b: -5.09, Ea: 5275.0} - {P: 30.0 atm, A: 1.9e+29, b: -4.72, Ea: 5476.0} - {P: 100.0 atm, A: 5.1e+27, b: -4.15, Ea: 5370.0} - equation: NCN + H <=> HCN + N # Reaction 1000 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.2e+11, b: 0.71, Ea: 5321.0} - {P: 0.03 atm, A: 2.2e+11, b: 0.71, Ea: 5321.0} - {P: 0.1 atm, A: 2.2e+11, b: 0.71, Ea: 5321.0} - {P: 0.3 atm, A: 2.2e+11, b: 0.71, Ea: 5321.0} - {P: 1.0 atm, A: 2.2e+11, b: 0.71, Ea: 5321.0} - {P: 3.0 atm, A: 2.2e+11, b: 0.71, Ea: 5321.0} - {P: 10.0 atm, A: 2.2e+11, b: 0.71, Ea: 5322.0} - {P: 30.0 atm, A: 2.3e+11, b: 0.7, Ea: 5327.0} - {P: 100.0 atm, A: 2.5e+11, b: 0.69, Ea: 5371.0} - equation: NCN + H <=> HNC + N # Reaction 1001 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.9e-04, b: 4.7, Ea: 2440.0} - {P: 0.03 atm, A: 3.9e-04, b: 4.7, Ea: 2440.0} - {P: 0.1 atm, A: 4.0e-04, b: 4.7, Ea: 2440.0} - {P: 0.3 atm, A: 4.0e-04, b: 4.7, Ea: 2438.0} - {P: 1.0 atm, A: 4.3e-04, b: 4.69, Ea: 2434.0} - {P: 3.0 atm, A: 4.9e-04, b: 4.67, Ea: 2423.0} - {P: 10.0 atm, A: 7.1e-04, b: 4.62, Ea: 2408.0} - {P: 30.0 atm, A: 1.7e-03, b: 4.52, Ea: 2622.0} - {P: 100.0 atm, A: 9.6e-03, b: 4.32, Ea: 3641.0} - equation: NCN + O <=> CN + NO # Reaction 1002 rate-constant: {A: 2.5e+13, b: 0.17, Ea: -34.0} - equation: NCN + OH <=> NCNOH # Reaction 1003 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.6e+31, b: -6.65, Ea: 2718.0} - {P: 0.03 atm, A: 2.9e+31, b: -6.59, Ea: 2940.0} - {P: 0.05 atm, A: 3.8e+31, b: -6.55, Ea: 3042.0} - {P: 0.1 atm, A: 2.2e+32, b: -6.7, Ea: 3421.0} - {P: 0.3 atm, A: 1.6e+32, b: -6.51, Ea: 3578.0} - {P: 1.0 atm, A: 1.8e+32, b: -6.37, Ea: 3924.0} - {P: 3.0 atm, A: 5.4e+31, b: -6.08, Ea: 4106.0} - {P: 10.0 atm, A: 6.5e+30, b: -5.67, Ea: 4217.0} - {P: 30.0 atm, A: 2.2e+29, b: -5.11, Ea: 4086.0} - {P: 100.0 atm, A: 1.5e+27, b: -4.35, Ea: 3691.0} - equation: NCN + OH <=> NCO + NH # Reaction 1004 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 8.6e+14, b: -0.95, Ea: 734.0} - {P: 0.03 atm, A: 2.6e+15, b: -1.08, Ea: 1128.0} - {P: 0.05 atm, A: 5.4e+15, b: -1.17, Ea: 1391.0} - {P: 0.1 atm, A: 1.7e+16, b: -1.3, Ea: 1843.0} - {P: 0.3 atm, A: 1.4e+17, b: -1.55, Ea: 2791.0} - {P: 1.0 atm, A: 1.7e+18, b: -1.83, Ea: 4143.0} - {P: 3.0 atm, A: 1.0e+19, b: -2.03, Ea: 5607.0} - {P: 10.0 atm, A: 2.2e+19, b: -2.08, Ea: 7339.0} - {P: 30.0 atm, A: 6.4e+18, b: -1.88, Ea: 8866.0} - {P: 100.0 atm, A: 6.3e+16, b: -1.25, Ea: 1.022e+04} - equation: NCN + OH <=> HCN + NO # Reaction 1005 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.9e+05, b: 2.04, Ea: 1505.0} - {P: 0.03 atm, A: 6.9e+05, b: 1.94, Ea: 1748.0} - {P: 0.05 atm, A: 1.2e+06, b: 1.87, Ea: 1902.0} - {P: 0.1 atm, A: 2.9e+06, b: 1.76, Ea: 2163.0} - {P: 0.3 atm, A: 1.9e+07, b: 1.54, Ea: 2727.0} - {P: 1.0 atm, A: 2.6e+08, b: 1.22, Ea: 3593.0} - {P: 3.0 atm, A: 4.1e+09, b: 0.89, Ea: 4624.0} - {P: 10.0 atm, A: 7.1e+10, b: 0.56, Ea: 5985.0} - {P: 30.0 atm, A: 3.9e+11, b: 0.38, Ea: 7329.0} - {P: 100.0 atm, A: 2.6e+11, b: 0.48, Ea: 8655.0} - equation: NCN + O2 <=> NCO + NO # Reaction 1006 rate-constant: {A: 1.3e+12, b: 0.0, Ea: 2.3167e+04} - equation: NCN + NO <=> CN + N2O # Reaction 1007 rate-constant: {A: 1.9e+12, b: 0.0, Ea: 6280.0} - equation: NCN + NCN <=> CN + CN + N2 # Reaction 1008 rate-constant: {A: 3.7e+12, b: 0.0, Ea: 0.0} - equation: NCN + H2 <=> HNCN + H # Reaction 1009 rate-constant: {A: 4.1e+13, b: 0.0, Ea: 2.41e+04} - equation: HNCN + O <=> HNC + NO # Reaction 1010 rate-constant: {A: 1.2e+14, b: -0.05, Ea: 72.0} - equation: HNCN + O <=> NH + NCO # Reaction 1011 rate-constant: {A: 5.6e+13, b: -0.05, Ea: 72.0} - equation: HNCN + O <=> CN + HNO # Reaction 1012 rate-constant: {A: 9.4e+12, b: -0.05, Ea: 72.0} - equation: HNCN + OH <=> NCN + H2O # Reaction 1013 rate-constant: {A: 1.0e+05, b: 2.48, Ea: -1887.0} - equation: HNCN + O2 <=> NCN + HO2 # Reaction 1014 rate-constant: {A: 1.3e+08, b: 1.28, Ea: 2.42e+04} - equation: NCNOH <=> NCO + NH # Reaction 1015 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.1e+35, b: -7.73, Ea: 5.642e+04} - {P: 0.03 atm, A: 4.0e+35, b: -7.67, Ea: 5.687e+04} - {P: 0.05 atm, A: 4.0e+35, b: -7.61, Ea: 5.708e+04} - {P: 0.1 atm, A: 8.5e+36, b: -7.93, Ea: 5.793e+04} - {P: 0.3 atm, A: 8.6e+34, b: -7.2, Ea: 5.79e+04} - {P: 1.0 atm, A: 5.8e+36, b: -7.62, Ea: 5.964e+04} - {P: 3.0 atm, A: 1.0e+36, b: -7.27, Ea: 6.054e+04} - {P: 10.0 atm, A: 7.1e+34, b: -6.81, Ea: 6.164e+04} - {P: 30.0 atm, A: 6.2e+32, b: -6.1, Ea: 6.24e+04} - {P: 100.0 atm, A: 1.9e+29, b: -4.97, Ea: 6.285e+04} - equation: NCNOH => NCNO + H # Reaction 1016 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 9.9e-28, b: 8.75, Ea: 5.068e+04} - {P: 0.03 atm, A: 1500.0, b: 0.49, Ea: 7.177e+04} - {P: 0.05 atm, A: 1.6e-16, b: 5.85, Ea: 5.696e+04} - {P: 0.1 atm, A: 1.6e-04, b: 2.58, Ea: 6.416e+04} - {P: 0.3 atm, A: 0.93, b: 1.66, Ea: 6.419e+04} - {P: 1.0 atm, A: 2.1e+10, b: -1.12, Ea: 6.684e+04} - {P: 3.0 atm, A: 1.5e+15, b: -2.31, Ea: 6.706e+04} - {P: 10.0 atm, A: 5.9e+20, b: -3.63, Ea: 6.841e+04} - {P: 30.0 atm, A: 1.7e+24, b: -4.35, Ea: 6.914e+04} - {P: 100.0 atm, A: 9.2e+26, b: -4.81, Ea: 6.996e+04} - equation: NCNOH <=> HCN + NO # Reaction 1017 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.5e+23, b: -4.81, Ea: 5.257e+04} - {P: 0.03 atm, A: 1.2e+24, b: -4.88, Ea: 5.381e+04} - {P: 0.05 atm, A: 5.4e+24, b: -4.97, Ea: 5.449e+04} - {P: 0.1 atm, A: 1.2e+27, b: -5.53, Ea: 5.596e+04} - {P: 0.3 atm, A: 1.7e+27, b: -5.35, Ea: 5.696e+04} - {P: 1.0 atm, A: 4.2e+30, b: -6.14, Ea: 5.926e+04} - {P: 3.0 atm, A: 2.1e+31, b: -6.14, Ea: 6.046e+04} - {P: 10.0 atm, A: 3.4e+31, b: -5.99, Ea: 6.165e+04} - {P: 30.0 atm, A: 5.3e+30, b: -5.57, Ea: 6.246e+04} - {P: 100.0 atm, A: 4.3e+28, b: -4.78, Ea: 6.295e+04} - equation: NCNOH + H <=> HNCN + OH # Reaction 1018 rate-constant: {A: 1.2e+14, b: 0.0, Ea: 0.0} - equation: NCNOH + O => NCNO + OH # Reaction 1019 rate-constant: {A: 1.2e+14, b: 0.0, Ea: 0.0} - equation: NCNOH + O <=> CN + HONO # Reaction 1020 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: NCNOH + OH => NCNO + H2O # Reaction 1021 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: NCNO + H => HNC + NO # Reaction 1022 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: NCNO + O => NCO + NO # Reaction 1023 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: HNCNH + H <=> HNCN + H2 # Reaction 1024 rate-constant: {A: 4.8e+08, b: 1.5, Ea: 7322.0} - equation: HNCNH + O <=> HNCN + OH # Reaction 1025 rate-constant: {A: 3.4e+08, b: 1.5, Ea: 4630.0} - equation: HNCNH + OH <=> HNCN + H2O # Reaction 1026 rate-constant: {A: 2.4e+06, b: 2.0, Ea: -89.0} - equation: CH3 + NO (+M) <=> CH3NO (+M) # Reaction 1027 type: falloff low-P-rate-constant: {A: 2.5e+16, b: 0.0, Ea: -2841.0} high-P-rate-constant: {A: 9.0e+12, b: 0.0, Ea: 192.0} Troe: {A: 5.0, T3: 1.0e-30, T1: 120.0, T2: 1.0e+30} - equation: CH3NO + H <=> CH2NO + H2 # Reaction 1028 rate-constant: {A: 4.4e+08, b: 1.5, Ea: 378.0} - equation: CH3NO + O <=> CH2NO + OH # Reaction 1029 rate-constant: {A: 3.3e+08, b: 1.5, Ea: 3616.0} - equation: CH3NO + OH <=> CH2NO + H2O # Reaction 1030 rate-constant: {A: 3.6e+06, b: 2.0, Ea: -1192.0} - equation: CH3NO + CH3 <=> CH2NO + CH4 # Reaction 1031 rate-constant: {A: 7.9e+05, b: 1.87, Ea: 5415.0} - equation: CH3NO + NH2 <=> CH2NO + NH3 # Reaction 1032 rate-constant: {A: 2.8e+06, b: 1.94, Ea: 1073.0} - equation: CH3NO + O <=> CH3 + NO2 # Reaction 1033 rate-constant: {A: 1.7e+06, b: 2.08, Ea: 0.0} - equation: CH3NO + OH <=> CH3 + HONO # Reaction 1034 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 994.0} - equation: CH2NO <=> HNCO + H # Reaction 1035 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 6.9e+41, b: -9.3, Ea: 5.1702e+04} - {P: 1.0 atm, A: 2.3e+42, b: -9.11, Ea: 5.3838e+04} - {P: 10.0 atm, A: 1.7e+38, b: -7.64, Ea: 5.3579e+04} - equation: CH2NO + H <=> CH3 + NO # Reaction 1036 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NO + H <=> HCNO + H2 # Reaction 1037 rate-constant: {A: 4.8e+08, b: 1.5, Ea: -894.0} - equation: CH2NO + O <=> CH2O + NO # Reaction 1038 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NO + O <=> HCNO + OH # Reaction 1039 rate-constant: {A: 3.3e+08, b: 1.5, Ea: -894.0} - equation: CH2NO + OH <=> CH2OH + NO # Reaction 1040 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NO + OH <=> HCNO + H2O # Reaction 1041 rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1192.0} - equation: CH2NO + O2 <=> CH2O + NO2 # Reaction 1042 rate-constant: {A: 1.1e+23, b: -3.29, Ea: 3895.0} - equation: CH2NO + CH3 <=> C2H5 + NO # Reaction 1043 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NO + CH3 <=> HCNO + CH4 # Reaction 1044 rate-constant: {A: 1.6e+06, b: 1.87, Ea: -1113.0} - equation: CH2NO + NH2 <=> CH2NH2 + NO # Reaction 1045 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NO + NH2 <=> HCNO + NH3 # Reaction 1046 rate-constant: {A: 1.8e+06, b: 1.94, Ea: -1152.0} - equation: C2H5 + NO <=> C2H5NO # Reaction 1047 rate-constant: {A: 1.4e+11, b: 0.0, Ea: 0.0} - equation: C2H5NO + H => C2H4 + NO + H2 # Reaction 1048 rate-constant: {A: 9.8e+13, b: 0.0, Ea: 9220.0} - equation: C2H5NO + H <=> CH3CHNO + H2 # Reaction 1049 rate-constant: {A: 4.4e+08, b: 1.5, Ea: 378.0} - equation: C2H5NO + O => C2H4 + NO + OH # Reaction 1050 rate-constant: {A: 1.1e-07, b: 6.5, Ea: 274.0} - equation: C2H5NO + O <=> CH3CHNO + OH # Reaction 1051 rate-constant: {A: 3.3e+08, b: 1.5, Ea: 3616.0} - equation: C2H5NO + OH => C2H4 + NO + H2O # Reaction 1052 rate-constant: {A: 9.2e+06, b: 2.0, Ea: 990.0} - equation: C2H5NO + OH <=> CH3CHNO + H2O # Reaction 1053 rate-constant: {A: 3.6e+06, b: 2.0, Ea: -1192.0} - equation: C2H5NO + HO2 => C2H4 + NO + H2O2 # Reaction 1054 rate-constant: {A: 1.1e+05, b: 2.5, Ea: 1.685e+04} - equation: C2H5NO + O2 => C2H4 + NO + HO2 # Reaction 1055 rate-constant: {A: 7.3e+05, b: 2.5, Ea: 4.916e+04} - equation: CH3CHNO <=> C2H4 + NO # Reaction 1056 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 2.2e+04} - equation: CH2CHNO + H <=> CHCHNO + H2 # Reaction 1057 rate-constant: {A: 4.4e+08, b: 1.5, Ea: 378.0} - equation: CH2CHNO + H <=> C2H3 + HNO # Reaction 1058 rate-constant: {A: 1.8e+13, b: 0.0, Ea: 2782.0} - equation: CH2CHNO + O <=> CHCHNO + OH # Reaction 1059 rate-constant: {A: 3.3e+08, b: 1.5, Ea: 3616.0} - equation: CH2CHNO + O <=> C2H3 + NO2 # Reaction 1060 rate-constant: {A: 1.7e+08, b: 2.08, Ea: 0.0} - equation: CH2CHNO + OH <=> CHCHNO + H2O # Reaction 1061 rate-constant: {A: 3.6e+06, b: 2.0, Ea: -1192.0} - equation: CH2CHNO + OH <=> C2H3 + HONO # Reaction 1062 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 994.0} - equation: CHCHNO <=> C2H2 + NO # Reaction 1063 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 890.0} - equation: CH3NO2 (+M) <=> CH3 + NO2 (+M) # Reaction 1064 type: falloff low-P-rate-constant: {A: 1.259e+17, b: 0.0, Ea: 4.2e+04} high-P-rate-constant: {A: 1.8e+16, b: 0.0, Ea: 5.85e+04} Troe: {A: 0.183, T3: 1.0e-30, T1: 1.0e+30} - equation: CH3NO2 + H <=> CH3 + HNO2 # Reaction 1065 rate-constant: {A: 3.3e+12, b: 0.0, Ea: 3730.0} - equation: CH3NO2 + H <=> CH3NO + OH # Reaction 1066 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 3730.0} - equation: CH3NO2 + H <=> CH2NO2 + H2 # Reaction 1067 rate-constant: {A: 4.9e+13, b: 0.0, Ea: 9220.0} - equation: CH3NO2 + O <=> CH2NO2 + OH # Reaction 1068 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 5350.0} - equation: CH3NO2 + OH <=> CH2NO2 + H2O # Reaction 1069 rate-constant: {A: 5.0e+05, b: 2.0, Ea: 1000.0} - equation: CH3NO2 + HO2 <=> CH2NO2 + H2O2 # Reaction 1070 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 2.3e+04} - equation: CH3NO2 + O2 <=> CH2NO2 + HO2 # Reaction 1071 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 5.7e+04} - equation: CH3NO2 + CH3 <=> CH2NO2 + CH4 # Reaction 1072 rate-constant: {A: 0.55, b: 4.0, Ea: 8300.0} - equation: CH3NO2 + CH3O <=> CH2NO2 + CH3OH # Reaction 1073 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7000.0} - equation: CH3NO2 + NO2 <=> CH2NO2 + HONO # Reaction 1074 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 3.2e+04} - equation: CH2NO2 <=> CH2O + NO # Reaction 1075 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.05 atm, A: 5.0e+11, b: 0.0, Ea: 3.6e+04} - {P: 1.0 atm, A: 1.0e+13, b: 0.0, Ea: 3.6e+04} - equation: CH2NO2 + H <=> CH3 + NO2 # Reaction 1076 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NO2 + O <=> CH2O + NO2 # Reaction 1077 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NO2 + OH <=> CH2OH + NO2 # Reaction 1078 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NO2 + OH <=> CH2O + HONO # Reaction 1079 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NO2 + CH3 <=> C2H5 + NO2 # Reaction 1080 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C2H5NO2 <=> C2H5 + NO2 # Reaction 1081 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.0e+62, b: -15.03, Ea: 7.1312e+04} - {P: 0.046 atm, A: 8.9e+64, b: -15.52, Ea: 7.3513e+04} - {P: 0.1 atm, A: 5.6e+65, b: -15.64, Ea: 7.4502e+04} - {P: 1.0 atm, A: 2.2e+66, b: -15.49, Ea: 7.6756e+04} - {P: 10.0 atm, A: 8.6e+63, b: -14.48, Ea: 7.7543e+04} - equation: C2H5NO2 <=> C2H4 + HNO2 # Reaction 1082 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.8e+80, b: -20.74, Ea: 7.4131e+04} - {P: 0.046 atm, A: 1.1e+77, b: -19.55, Ea: 7.3632e+04} - {P: 0.1 atm, A: 9.7e+74, b: -18.87, Ea: 7.3231e+04} - {P: 1.0 atm, A: 6.9e+67, b: -16.52, Ea: 7.1461e+04} - {P: 10.0 atm, A: 1.0e+59, b: -13.71, Ea: 6.8719e+04} - equation: C2H5NO2 <=> CH2CHNO + H2O # Reaction 1083 rate-constant: {A: 8.9e+51, b: -20.019, Ea: 9.2377e+04} - equation: C2H5NO2 <=> CH3CH2ONO # Reaction 1084 rate-constant: {A: 2.1e+10, b: 1.0, Ea: 6.066e+04} - equation: C2H5NO2 + H <=> CH2CH2NO2 + H2 # Reaction 1085 rate-constant: {A: 9.8e+13, b: 0.0, Ea: 9220.0} - equation: C2H5NO2 + H <=> CH3CHNO2 + H2 # Reaction 1086 rate-constant: {A: 2.6e+07, b: 1.65, Ea: 2827.0} - equation: C2H5NO2 + H <=> C2H5NO + OH # Reaction 1087 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 3730.0} - equation: C2H5NO2 + O <=> CH2CH2NO2 + OH # Reaction 1088 rate-constant: {A: 1.1e-07, b: 6.5, Ea: 274.0} - equation: C2H5NO2 + O <=> CH3CHNO2 + OH # Reaction 1089 rate-constant: {A: 1.9e+07, b: 1.85, Ea: 1824.0} - equation: C2H5NO2 + OH <=> CH2CH2NO2 + H2O # Reaction 1090 rate-constant: {A: 9.2e+06, b: 2.0, Ea: 990.0} - equation: C2H5NO2 + OH <=> CH3CHNO2 + H2O # Reaction 1091 rate-constant: {A: 4.6e+11, b: 0.15, Ea: 0.0} - equation: C2H5NO2 + OH <=> CH3CH2OH + NO2 # Reaction 1092 rate-constant: {A: 2.0e+10, b: 0.0, Ea: -1000.0} - equation: C2H5NO2 + HO2 <=> CH2CH2NO2 + H2O2 # Reaction 1093 rate-constant: {A: 1.1e+05, b: 2.5, Ea: 1.685e+04} - equation: C2H5NO2 + HO2 <=> CH3CHNO2 + H2O2 # Reaction 1094 rate-constant: {A: 8200.0, b: 2.55, Ea: 1.075e+04} - equation: C2H5NO2 + O2 <=> CH2CH2NO2 + HO2 # Reaction 1095 rate-constant: {A: 7.3e+05, b: 2.5, Ea: 4.916e+04} - equation: C2H5NO2 + CH3 <=> CH2CH2NO2 + CH4 # Reaction 1096 rate-constant: {A: 220.0, b: 3.18, Ea: 9622.0} - equation: C2H5NO2 + CH3 <=> CH3CHNO2 + CH4 # Reaction 1097 rate-constant: {A: 730.0, b: 2.99, Ea: 7948.0} - equation: C2H4 + NO2 <=> CH2CH2NO2 # Reaction 1098 rate-constant: {A: 9.4e+11, b: 0.0, Ea: 1.4e+04} - equation: CH3CHNO2 <=> C2H4 + NO2 # Reaction 1099 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 2.2e+04} - equation: CH3O + NO (+M) <=> CH3ONO (+M) # Reaction 1100 type: falloff low-P-rate-constant: {A: 8.14e+25, b: -2.8, Ea: 0.0} high-P-rate-constant: {A: 6.0e+14, b: -0.6, Ea: 0.0} Troe: {A: 1.0, T3: 1.0e-30, T1: 900.0, T2: 1.0e+30} - equation: CH3ONO + H <=> CH3OH + NO # Reaction 1101 rate-constant: {A: 1.2e+11, b: 0.0, Ea: 1900.0} - equation: CH3ONO + H <=> CH2O + H2 + NO # Reaction 1102 rate-constant: {A: 1.4e+11, b: 0.0, Ea: 1900.0} - equation: CH3ONO + O <=> CH3O + NO2 # Reaction 1103 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 5210.0} - equation: CH3ONO + OH <=> CH3OH + NO2 # Reaction 1104 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 3505.0} - equation: CH3CH2O + NO (+M) <=> CH3CH2ONO (+M) # Reaction 1105 type: falloff low-P-rate-constant: {A: 9.43e+19, b: 0.0, Ea: 0.0} high-P-rate-constant: {A: 1.2e+13, b: 0.0, Ea: -143.0} Troe: {A: 0.6, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: CH3CH2ONO + OH <=> CH3CH2OH + NO2 # Reaction 1106 rate-constant: {A: 1.6e+14, b: 0.0, Ea: 3505.0} - equation: CH3O + NO2 (+M) <=> CH3ONO2 (+M) # Reaction 1107 type: falloff low-P-rate-constant: {A: 2.911e+23, b: -1.74, Ea: 0.0} high-P-rate-constant: {A: 2.2e+15, b: -0.88, Ea: 0.0} Troe: {A: 0.6, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: CH3ONO2 + H <=> CH3O + HONO # Reaction 1108 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: CH3ONO2 + O <=> CH3O + NO3 # Reaction 1109 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 5260.0} - equation: CH3ONO2 + OH <=> CH3O + HONO2 # Reaction 1110 rate-constant: {A: 4.9e+11, b: 0.0, Ea: 2027.0} - equation: CH3CH2O + NO2 (+M) <=> CH3CH2ONO2 (+M) # Reaction 1111 type: falloff low-P-rate-constant: {A: 5.88e+30, b: -4.0, Ea: 0.0} high-P-rate-constant: {A: 5.1e+15, b: -1.0, Ea: 0.0} Troe: {A: 0.6, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: CH3CH2ONO2 + OH <=> CH3CH2O + HONO2 # Reaction 1112 duplicate: true rate-constant: {A: 2.2e+12, b: 0.0, Ea: 2140.0} - equation: CH3CH2ONO2 + OH <=> CH3CH2O + HONO2 # Reaction 1113 duplicate: true rate-constant: {A: 3.2e+10, b: 0.0, Ea: -250.0} - equation: CH3 + NH2 <=> CH3NH2 # Reaction 1114 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.3e+54, b: -12.72, Ea: 1.5608e+04} - {P: 1.0 atm, A: 5.1e+52, b: -11.99, Ea: 1.679e+04} - {P: 10.0 atm, A: 1.6e+47, b: -10.15, Ea: 1.5687e+04} - equation: CH3NH2 + M <=> CH2NH + H2 + M # Reaction 1115 type: three-body rate-constant: {A: 2.4e+13, b: 0.0, Ea: 1.0726e+05} - equation: CH3NH2 + H <=> CH2NH2 + H2 # Reaction 1116 rate-constant: {A: 5.6e+08, b: 1.5, Ea: 5464.0} - equation: CH3NH2 + H <=> CH3NH + H2 # Reaction 1117 rate-constant: {A: 4.8e+08, b: 1.5, Ea: 9706.0} - equation: CH3NH2 + O <=> CH2NH2 + OH # Reaction 1118 rate-constant: {A: 4.0e+08, b: 1.5, Ea: 5196.0} - equation: CH3NH2 + O <=> CH3NH + OH # Reaction 1119 rate-constant: {A: 3.3e+08, b: 1.5, Ea: 6348.0} - equation: CH3NH2 + OH <=> CH2NH2 + H2O # Reaction 1120 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH3NH2 + OH <=> CH3NH + H2O # Reaction 1121 rate-constant: {A: 2.4e+06, b: 2.0, Ea: 447.0} - equation: CH3NH2 + CH3 <=> CH2NH2 + CH4 # Reaction 1122 rate-constant: {A: 1.5e+06, b: 1.87, Ea: 9170.0} - equation: CH3NH2 + CH3 <=> CH3NH + CH4 # Reaction 1123 rate-constant: {A: 1.6e+06, b: 1.87, Ea: 8842.0} - equation: CH3NH2 + NH2 <=> CH2NH2 + NH3 # Reaction 1124 rate-constant: {A: 2.8e+06, b: 1.94, Ea: 5494.0} - equation: CH3NH2 + NH2 <=> CH3NH + NH3 # Reaction 1125 rate-constant: {A: 1.8e+06, b: 1.94, Ea: 7143.0} - equation: CH3 + NH2 <=> CH2NH2 + H # Reaction 1126 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.1e+13, b: -0.13, Ea: 9905.0} - {P: 1.0 atm, A: 1.4e+14, b: -0.43, Ea: 1.1107e+04} - {P: 10.0 atm, A: 7.4e+12, b: 0.0, Ea: 1.2071e+04} - equation: CH3 + NH2 <=> CH3NH + H # Reaction 1127 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.2e+13, b: -0.15, Ea: 1.6144e+04} - {P: 1.0 atm, A: 4.4e+13, b: -0.31, Ea: 1.6641e+04} - {P: 10.0 atm, A: 1.4e+14, b: -0.42, Ea: 1.7863e+04} - equation: CH3 + NH2 <=> CH2NH + H2 # Reaction 1128 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 2.1e+11, b: -0.1, Ea: 1.9095e+04} - {P: 1.0 atm, A: 4.8e+11, b: -0.2, Ea: 1.9403e+04} - {P: 10.0 atm, A: 2.9e+12, b: -0.4, Ea: 2.0506e+04} - equation: CH2NH2 <=> CH2NH + H # Reaction 1129 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.1e+45, b: -10.24, Ea: 4.7817e+04} - {P: 1.0 atm, A: 2.4e+48, b: -10.82, Ea: 5.204e+04} - {P: 10.0 atm, A: 3.2e+46, b: -9.95, Ea: 5.353e+04} - equation: CH2NH2 + H <=> CH2NH + H2 # Reaction 1130 rate-constant: {A: 4.8e+08, b: 1.5, Ea: -894.0} - equation: CH2NH2 + O <=> CH2O + NH2 # Reaction 1131 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NH2 + O <=> CH2NH + OH # Reaction 1132 rate-constant: {A: 3.3e+08, b: 1.5, Ea: -894.0} - equation: CH2NH2 + OH <=> CH2OH + NH2 # Reaction 1133 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NH2 + OH <=> CH2NH + H2O # Reaction 1134 rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1192.0} - equation: CH2NH2 + O2 <=> CH2NH + HO2 # Reaction 1135 rate-constant: {A: 1.0e+22, b: -3.09, Ea: 6756.0} - equation: CH2NH2 + CH3 <=> C2H5 + NH2 # Reaction 1136 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 2702.0} - equation: CH2NH2 + CH3 <=> CH2NH + CH4 # Reaction 1137 rate-constant: {A: 1.6e+06, b: 1.87, Ea: -626.0} - equation: CH3NH <=> CH2NH + H # Reaction 1138 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.6e+36, b: -7.92, Ea: 3.6342e+04} - {P: 1.0 atm, A: 1.3e+42, b: -9.24, Ea: 4.134e+04} - {P: 10.0 atm, A: 2.3e+44, b: -9.51, Ea: 4.5244e+04} - equation: CH3NH + H <=> CH2NH + H2 # Reaction 1139 rate-constant: {A: 7.2e+08, b: 1.5, Ea: -894.0} - equation: CH3NH + O <=> CH2NH + OH # Reaction 1140 rate-constant: {A: 5.0e+08, b: 1.5, Ea: -894.0} - equation: CH3NH + OH <=> CH2NH + H2O # Reaction 1141 rate-constant: {A: 3.6e+06, b: 2.0, Ea: -1192.0} - equation: CH3NH + CH3 <=> CH2NH + CH4 # Reaction 1142 rate-constant: {A: 2.4e+06, b: 1.87, Ea: -1113.0} - equation: CH2NH + H <=> H2CN + H2 # Reaction 1143 rate-constant: {A: 2.4e+08, b: 1.5, Ea: 7322.0} - equation: CH2NH + H <=> HCNH + H2 # Reaction 1144 rate-constant: {A: 3.0e+08, b: 1.5, Ea: 6130.0} - equation: CH2NH + O <=> H2CN + OH # Reaction 1145 rate-constant: {A: 1.7e+08, b: 1.5, Ea: 4630.0} - equation: CH2NH + O <=> HCNH + OH # Reaction 1146 rate-constant: {A: 2.2e+08, b: 1.5, Ea: 5404.0} - equation: CH2NH + O <=> CH2O + NH # Reaction 1147 rate-constant: {A: 1.7e+06, b: 2.08, Ea: 0.0} - equation: CH2NH + OH <=> H2CN + H2O # Reaction 1148 rate-constant: {A: 1.2e+06, b: 2.0, Ea: -89.0} - equation: CH2NH + OH <=> HCNH + H2O # Reaction 1149 rate-constant: {A: 2.4e+06, b: 2.0, Ea: 457.0} - equation: CH2NH + CH3 <=> H2CN + CH4 # Reaction 1150 rate-constant: {A: 8.2e+05, b: 1.87, Ea: 7123.0} - equation: CH2NH + CH3 <=> HCNH + CH4 # Reaction 1151 rate-constant: {A: 5.3e+05, b: 1.87, Ea: 9687.0} - equation: CH2NH + NH2 <=> H2CN + NH3 # Reaction 1152 rate-constant: {A: 9.2e+05, b: 1.94, Ea: 4441.0} - equation: CH2NH + NH2 <=> HCNH + NH3 # Reaction 1153 rate-constant: {A: 1.8e+06, b: 1.94, Ea: 6090.0} - equation: H2CN <=> HCN + H # Reaction 1154 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.3e+29, b: -6.03, Ea: 2.9894e+04} - {P: 1.0 atm, A: 6.0e+31, b: -6.46, Ea: 3.211e+04} - {P: 10.0 atm, A: 3.5e+29, b: -5.46, Ea: 3.2547e+04} - equation: H2CN + H <=> HCN + H2 # Reaction 1155 rate-constant: {A: 2.4e+08, b: 1.5, Ea: -894.0} - equation: H2CN + O <=> HCN + OH # Reaction 1156 rate-constant: {A: 1.7e+08, b: 1.5, Ea: -894.0} - equation: H2CN + OH <=> HCN + H2O # Reaction 1157 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 2.1e+17, b: -1.68, Ea: 318.0} - {P: 1.0 atm, A: 1.5e+19, b: -2.18, Ea: 2166.0} - {P: 10.0 atm, A: 9.5e+21, b: -2.91, Ea: 5633.0} - equation: H2CN + OH <=> HCN + H2O # Reaction 1158 duplicate: true type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.2e+06, b: 2.0, Ea: -1192.0} - {P: 1.0 atm, A: 1.2e+06, b: 2.0, Ea: -1192.0} - {P: 10.0 atm, A: 1.2e+06, b: 2.0, Ea: -1192.0} - equation: H2CN + O2 <=> CH2O + NO # Reaction 1159 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 5961.0} - equation: H2CN + NH2 <=> HCN + NH3 # Reaction 1160 rate-constant: {A: 9.2e+05, b: 1.94, Ea: -1152.0} - equation: H2CN + NH <=> HCN + NH2 # Reaction 1161 rate-constant: {A: 1.7e+08, b: 1.5, Ea: -894.0} - equation: H2CN + N <=> CH2 + N2 # Reaction 1162 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: HCNH <=> HCN + H # Reaction 1163 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 7.7e+25, b: -5.2, Ea: 2.1986e+04} - {P: 1.0 atm, A: 6.1e+28, b: -5.69, Ea: 2.4271e+04} - {P: 10.0 atm, A: 6.2e+26, b: -4.77, Ea: 2.4818e+04} - equation: HCNH + H <=> H2CN + H # Reaction 1164 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: HCNH + H <=> HCN + H2 # Reaction 1165 rate-constant: {A: 2.4e+08, b: 1.5, Ea: -894.0} - equation: HCNH + O <=> HNCO + H # Reaction 1166 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} - equation: HCNH + O <=> HCN + OH # Reaction 1167 rate-constant: {A: 1.7e+08, b: 1.5, Ea: -894.0} - equation: HCNH + OH <=> HCN + H2O # Reaction 1168 rate-constant: {A: 1.2e+06, b: 2.0, Ea: -1192.0} - equation: HCNH + CH3 <=> HCN + CH4 # Reaction 1169 rate-constant: {A: 8.2e+05, b: 1.87, Ea: -1113.0} - equation: CH3CH2NH2 <=> C2H4 + NH3 # Reaction 1170 rate-constant: {A: 6.2e+67, b: -15.944, Ea: 9.9348e+04} - equation: C2H5 + NH2 (+M) <=> CH3CH2NH2 (+M) # Reaction 1171 type: falloff low-P-rate-constant: {A: 2.2e+30, b: -3.85, Ea: 0.0} high-P-rate-constant: {A: 7.2e+12, b: 0.42, Ea: 0.0} - equation: CH3CHNH2 + H <=> CH3CH2NH2 # Reaction 1172 rate-constant: {A: 1.7e+13, b: 0.22, Ea: 0.0} - equation: CH2CH2NH2 + H <=> CH3CH2NH2 # Reaction 1173 rate-constant: {A: 5.4e+13, b: 0.16, Ea: 0.0} - equation: CH3CH2NH2 + H <=> CH2CH2NH2 + H2 # Reaction 1174 rate-constant: {A: 1.2e+07, b: 1.8, Ea: 5100.0} - equation: CH3CH2NH2 + H <=> CH3CHNH2 + H2 # Reaction 1175 rate-constant: {A: 2.6e+07, b: 1.65, Ea: 2830.0} - equation: CH3CH2NH2 + H <=> CH3CH2NH + H2 # Reaction 1176 rate-constant: {A: 4.8e+08, b: 1.5, Ea: 9700.0} - equation: CH3CH2NH2 + O <=> CH2CH2NH2 + OH # Reaction 1177 rate-constant: {A: 9.4e+07, b: 1.7, Ea: 5460.0} - equation: CH3CH2NH2 + O <=> CH3CHNH2 + OH # Reaction 1178 rate-constant: {A: 6.8e+12, b: 0.0, Ea: 1275.0} - equation: CH3CH2NH2 + O <=> CH3CH2NH + OH # Reaction 1179 rate-constant: {A: 3.3e+08, b: 1.5, Ea: 6348.0} - equation: CH3CH2NH2 + OH <=> CH2CH2NH2 + H2O # Reaction 1180 rate-constant: {A: 1.6e+12, b: 0.0, Ea: 1300.0} - equation: CH3CH2NH2 + OH <=> CH3CHNH2 + H2O # Reaction 1181 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 0.0} - equation: CH3CH2NH2 + OH <=> CH3CH2NH + H2O # Reaction 1182 rate-constant: {A: 2.4e+06, b: 2.0, Ea: 447.0} - equation: CH3CH2NH2 + HO2 <=> CH2CH2NH2 + H2O2 # Reaction 1183 rate-constant: {A: 1.2e+04, b: 2.55, Ea: 1.575e+04} - equation: CH3CH2NH2 + HO2 <=> CH3CHNH2 + H2O2 # Reaction 1184 rate-constant: {A: 8200.0, b: 2.55, Ea: 1.075e+04} - equation: CH3CH2NH2 + CH3 <=> CH2CH2NH2 + CH4 # Reaction 1185 rate-constant: {A: 220.0, b: 3.18, Ea: 9620.0} - equation: CH3CH2NH2 + CH3 <=> CH3CHNH2 + CH4 # Reaction 1186 rate-constant: {A: 730.0, b: 2.99, Ea: 7950.0} - equation: CH3CH2NH2 + CH3 <=> CH3CH2NH + CH4 # Reaction 1187 rate-constant: {A: 1.6e+06, b: 1.87, Ea: 8842.0} - equation: CH3CH2NH2 + NH2 <=> CH2CH2NH2 + NH3 # Reaction 1188 rate-constant: {A: 220.0, b: 3.18, Ea: 9620.0} - equation: CH3CH2NH2 + NH2 <=> CH3CHNH2 + NH3 # Reaction 1189 rate-constant: {A: 730.0, b: 2.99, Ea: 7950.0} - equation: CH3CH2NH2 + NH2 <=> CH3CH2NH + NH3 # Reaction 1190 rate-constant: {A: 1.8e+06, b: 1.94, Ea: 7140.0} - equation: C2H4 + NH2 <=> CH2CH2NH2 # Reaction 1191 rate-constant: {A: 1.2e+11, b: 0.0, Ea: 3955.0} - equation: CH2CH2NH2 + H <=> CH2CHNH2 + H2 # Reaction 1192 rate-constant: {A: 1.8e+12, b: 0.0, Ea: 0.0} - equation: CH2CH2NH2 + O <=> CH2O + CH2NH2 # Reaction 1193 rate-constant: {A: 9.6e+13, b: 0.0, Ea: 0.0} - equation: CH2CH2NH2 + OH <=> CH2CHNH2 + H2O # Reaction 1194 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: CH2CH2NH2 + HO2 => CH2O + OH + CH2NH2 # Reaction 1195 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: CH2CH2NH2 + O2 <=> CH2CHNH2 + HO2 # Reaction 1196 rate-constant: {A: 3.7e+16, b: -1.63, Ea: 3418.0} - equation: CH2CH2NH2 + HCO <=> CH3CH2NH2 + CO # Reaction 1197 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CH2NH2 + CH3 <=> CH2CHNH2 + CH4 # Reaction 1198 rate-constant: {A: 1.2e+13, b: -0.32, Ea: 0.0} - equation: CH2CHNH2 + H (+M) <=> CH3CHNH2 (+M) # Reaction 1199 type: falloff low-P-rate-constant: {A: 2.0e+39, b: -6.642, Ea: 5769.0} high-P-rate-constant: {A: 1.4e+09, b: 1.463, Ea: 1355.0} Troe: {A: -0.569, T3: 299.0, T1: 9147.0, T2: 152.4} - equation: CH3CHNH2 <=> CH3CHNH + H # Reaction 1200 rate-constant: {A: 1.1e+45, b: -10.24, Ea: 4.7817e+04} - equation: CH3CHNH2 + H <=> CH2CHNH2 + H2 # Reaction 1201 rate-constant: {A: 4.9e+08, b: 1.7, Ea: 588.0} - equation: CH3CHNH2 + H <=> CH3 + CH2NH2 # Reaction 1202 rate-constant: {A: 8.4e+16, b: -0.891, Ea: 2903.0} - equation: CH3CHNH2 + H <=> C2H4 + NH3 # Reaction 1203 rate-constant: {A: 4.7e+21, b: -3.02, Ea: 2845.0} - equation: CH3CHNH2 + H <=> C2H5 + NH2 # Reaction 1204 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CHNH2 + O <=> CH3 + H2NCHO # Reaction 1205 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CHNH2 + O <=> CH2CHNH2 + OH # Reaction 1206 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0} - equation: CH3CHNH2 + OH <=> CH2CHNH2 + H2O # Reaction 1207 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: CH3CHNH2 + HO2 => CH3 + OH + H2NCHO # Reaction 1208 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: CH3CHNH2 + O2 <=> CH2CHNH2 + HO2 # Reaction 1209 rate-constant: {A: 6.7e+20, b: -3.02, Ea: 2504.0} - equation: CH3CHNH2 + HCO <=> CH3CH2NH2 + CO # Reaction 1210 rate-constant: {A: 1.2e+14, b: 0.0, Ea: 0.0} - equation: CH3CHNH2 + CH3 <=> CH2CHNH2 + CH4 # Reaction 1211 rate-constant: {A: 1.8e+13, b: 0.0, Ea: -769.0} - equation: CH3CH2NH <=> CH2NH + CH3 # Reaction 1212 rate-constant: {A: 1.9e+10, b: 0.0, Ea: 2.35e+04} - equation: CH3CH2NH <=> CH3CHNH + H # Reaction 1213 rate-constant: {A: 1.6e+36, b: -7.92, Ea: 3.6342e+04} - equation: CH3CH2NH + H <=> CH3 + CH2NH2 # Reaction 1214 rate-constant: {A: 1.4e+12, b: 0.701, Ea: 346.0} - equation: CH3CH2NH + H <=> CH3CHNH + H2 # Reaction 1215 rate-constant: {A: 7.2e+08, b: 1.5, Ea: -894.0} - equation: CH3CH2NH + O <=> CH3CHNH + OH # Reaction 1216 rate-constant: {A: 5.0e+08, b: 1.5, Ea: -894.0} - equation: CH3CH2NH + OH <=> CH3CHNH + H2O # Reaction 1217 rate-constant: {A: 3.6e+06, b: 2.0, Ea: -1192.0} - equation: CH3CH2NH + CH3 <=> CH3CHNH + CH4 # Reaction 1218 rate-constant: {A: 2.4e+06, b: 1.87, Ea: -1113.0} - equation: CHCHNH2 + H (+M) <=> CH2CHNH2 (+M) # Reaction 1219 type: falloff low-P-rate-constant: {A: 2.1e+24, b: -1.3, Ea: 0.0} high-P-rate-constant: {A: 3.9e+13, b: 0.2, Ea: 0.0} Troe: {A: 0.5, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: CH2CNH2 + H (+M) <=> CH2CHNH2 (+M) # Reaction 1220 type: falloff low-P-rate-constant: {A: 2.1e+24, b: -1.3, Ea: 0.0} high-P-rate-constant: {A: 3.9e+13, b: 0.2, Ea: 0.0} Troe: {A: 0.5, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} - equation: CH2CHNH2 + H <=> CHCHNH2 + H2 # Reaction 1221 rate-constant: {A: 240.0, b: 3.63, Ea: 1.1266e+04} - equation: CH2CHNH2 + H <=> CH2CNH2 + H2 # Reaction 1222 rate-constant: {A: 240.0, b: 3.63, Ea: 1.1266e+04} - equation: CH2CHNH2 + H <=> CH2CHNH + H2 # Reaction 1223 rate-constant: {A: 4.8e+08, b: 1.5, Ea: 9700.0} - equation: CH2CHNH2 + O <=> CH3 + H2NCO # Reaction 1224 duplicate: true rate-constant: {A: 3.9e+12, b: 0.0, Ea: 1494.0} - equation: CH2CHNH2 + O <=> CH3 + H2NCO # Reaction 1225 duplicate: true rate-constant: {A: 6.2e+13, b: 0.0, Ea: 6855.0} - equation: CH2CHNH2 + O <=> CH2CHNH + OH # Reaction 1226 rate-constant: {A: 3.3e+08, b: 1.5, Ea: 6348.0} - equation: CH2CHNH2 + OH <=> CHCHNH2 + H2O # Reaction 1227 rate-constant: {A: 0.13, b: 4.2, Ea: -860.0} - equation: CH2CHNH2 + OH <=> CH2CNH2 + H2O # Reaction 1228 rate-constant: {A: 0.13, b: 4.2, Ea: -860.0} - equation: CH2CHNH2 + OH <=> CH2CHNH + H2O # Reaction 1229 rate-constant: {A: 2.4e+06, b: 2.0, Ea: 447.0} - equation: CH2CHNH2 + CH3 <=> CHCHNH2 + CH4 # Reaction 1230 rate-constant: {A: 6.0e+07, b: 1.56, Ea: 1.663e+04} - equation: CH2CHNH2 + CH3 <=> CH2CNH2 + CH4 # Reaction 1231 rate-constant: {A: 6.0e+07, b: 1.56, Ea: 1.663e+04} - equation: CH2CHNH2 + CH3 <=> CH2CHNH + CH4 # Reaction 1232 rate-constant: {A: 1.6e+06, b: 1.87, Ea: 8842.0} - equation: CH2CHNH2 + NH2 <=> CHCHNH2 + NH3 # Reaction 1233 rate-constant: {A: 5.3e+12, b: 0.0, Ea: 1.0274e+04} - equation: CH2CHNH2 + NH2 <=> CH2CNH2 + NH3 # Reaction 1234 rate-constant: {A: 5.3e+12, b: 0.0, Ea: 1.0274e+04} - equation: CH2CHNH2 + NH2 <=> CH2CHNH + NH3 # Reaction 1235 rate-constant: {A: 1.8e+06, b: 1.94, Ea: 7143.0} - equation: CH3CHNH <=> CH2CHNH2 # Reaction 1236 rate-constant: {A: 5.0e+18, b: -2.4965, Ea: 6.7995e+04} - equation: CH2CHNH + H <=> CH3CHNH # Reaction 1237 rate-constant: {A: 5.8e+13, b: 0.18, Ea: -125.0} - equation: CH3 + HCNH <=> CH3CHNH # Reaction 1238 rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0} - equation: CH3CHNH + H <=> CH2CHNH2 + H # Reaction 1239 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CHNH + H <=> CH3CNH + H2 # Reaction 1240 rate-constant: {A: 4.7e+13, b: -0.35, Ea: 3000.0} - equation: CH3CHNH + H <=> CH2CHNH + H2 # Reaction 1241 rate-constant: {A: 1.9e+12, b: 0.4, Ea: 5359.0} - equation: CH3CHNH + H <=> CH3CHN + H2 # Reaction 1242 rate-constant: {A: 2.4e+08, b: 1.5, Ea: 7322.0} - equation: CH3CHNH + O <=> CH3CNH + OH # Reaction 1243 rate-constant: {A: 1.8e+18, b: -1.9, Ea: 2975.0} - equation: CH3CHNH + O <=> CH2CHNH + OH # Reaction 1244 rate-constant: {A: 3.7e+13, b: -0.2, Ea: 3556.0} - equation: CH3CHNH + O <=> CH3CHN + OH # Reaction 1245 rate-constant: {A: 1.7e+08, b: 1.5, Ea: 4630.0} - equation: CH3CHNH + OH <=> CH3CNH + H2O # Reaction 1246 rate-constant: {A: 2.4e+11, b: 0.3, Ea: -1000.0} - equation: CH3CHNH + OH <=> CH2CHNH + H2O # Reaction 1247 rate-constant: {A: 3.0e+13, b: -0.6, Ea: 800.0} - equation: CH3CHNH + OH <=> CH3CHN + H2O # Reaction 1248 rate-constant: {A: 1.2e+06, b: 2.0, Ea: -89.0} - equation: CH3CHNH + CH3 <=> CH3CNH + CH4 # Reaction 1249 rate-constant: {A: 3.9e-07, b: 5.8, Ea: 2200.0} - equation: CH3CHNH + CH3 <=> CH2CHNH + CH4 # Reaction 1250 rate-constant: {A: 25.0, b: 3.15, Ea: 5727.0} - equation: CH3CHNH + CH3 <=> CH3CHN + CH4 # Reaction 1251 rate-constant: {A: 8.2e+05, b: 1.87, Ea: 7123.0} - equation: CH3CHNH + NH2 <=> CH3CHN + NH3 # Reaction 1252 rate-constant: {A: 9.2e+05, b: 1.94, Ea: 4441.0} - equation: NH2 + C2H2 <=> CHCHNH2 # Reaction 1253 rate-constant: {A: 7.8e-18, b: 8.31, Ea: 7430.0} - equation: CHCNH2 + H (+M) <=> CHCHNH2 (+M) # Reaction 1254 type: falloff low-P-rate-constant: {A: 6.3e+31, b: -4.664, Ea: 3780.0} high-P-rate-constant: {A: 1.7e+10, b: 1.266, Ea: 2709.0} Troe: {A: 0.7878, T3: -1.0212e+04, T1: 1.0e+30} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: CHCHNH2 + H <=> CHCNH2 + H2 # Reaction 1255 rate-constant: {A: 4.5e+13, b: 0.0, Ea: 0.0} - equation: CHCHNH2 + OH <=> CHCNH2 + H2O # Reaction 1256 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CHCHNH2 + O2 <=> OCHCHO + NH2 # Reaction 1257 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: CHCHNH2 + CH3 <=> CHCNH2 + CH4 # Reaction 1258 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CHCNH2 + H (+M) <=> CH2CNH2 (+M) # Reaction 1259 type: falloff low-P-rate-constant: {A: 6.3e+31, b: -4.664, Ea: 3780.0} high-P-rate-constant: {A: 1.7e+10, b: 1.266, Ea: 2709.0} Troe: {A: 0.7878, T3: -1.0212e+04, T1: 1.0e+30} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: CH2CNH2 + H <=> CHCNH2 + H2 # Reaction 1260 rate-constant: {A: 4.5e+13, b: 0.0, Ea: 0.0} - equation: CH2CNH2 + O <=> CH2CO + NH2 # Reaction 1261 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CNH2 + OH <=> CHCNH2 + H2O # Reaction 1262 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CNH2 + O2 <=> OCHCHO + NH2 # Reaction 1263 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: CH2CNH2 + CH3 <=> CHCNH2 + CH4 # Reaction 1264 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHNH + H <=> CH3 + HCNH # Reaction 1265 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH2CHNH + H <=> CH3CNH + H # Reaction 1266 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHNH + H <=> CH2CNH + H2 # Reaction 1267 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHNH + O <=> CH2CNH + OH # Reaction 1268 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHNH + OH <=> CH2CNH + H2O # Reaction 1269 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHNH + OH <=> CH2OH + HCNH # Reaction 1270 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHNH + O2 <=> CH2O + CO + NH2 # Reaction 1271 rate-constant: {A: 5.7e+17, b: -1.757, Ea: 1.1067e+04} - equation: CH3CNH <=> CH3 + HNC # Reaction 1272 rate-constant: {A: 6.5e+18, b: -2.52, Ea: 3.3e+04} - equation: CH3CNH <=> CH3CN + H # Reaction 1273 rate-constant: {A: 7.7e+25, b: -5.2, Ea: 2.4e+04} - equation: CH3CNH + H <=> CH3 + HCNH # Reaction 1274 rate-constant: {A: 2.1e+13, b: 0.0, Ea: 0.0} - equation: CH3CNH + H <=> CH2CNH + H2 # Reaction 1275 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: CH3CNH + H <=> CH3CN + H2 # Reaction 1276 rate-constant: {A: 2.4e+08, b: 1.5, Ea: -894.0} - equation: CH3CNH + O <=> CH3 + HNCO # Reaction 1277 rate-constant: {A: 1.6e+14, b: 0.0, Ea: 0.0} - equation: CH3CNH + O <=> CH2CNH + OH # Reaction 1278 rate-constant: {A: 5.3e+13, b: 0.0, Ea: 0.0} - equation: CH3CNH + O <=> CH3CN + OH # Reaction 1279 rate-constant: {A: 1.7e+08, b: 1.5, Ea: -894.0} - equation: CH3CNH + OH <=> CH2CNH + H2O # Reaction 1280 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: CH3CNH + OH <=> CH3CN + H2O # Reaction 1281 rate-constant: {A: 1.2e+06, b: 2.0, Ea: -1192.0} - equation: CH3CNH + O2 <=> CH2O + CO + NH2 # Reaction 1282 rate-constant: {A: 1.9e+12, b: 0.0, Ea: 0.0} - equation: CH3CNH + CH3 <=> CH2CNH + CH4 # Reaction 1283 rate-constant: {A: 5.3e+13, b: 0.0, Ea: 0.0} - equation: CH3CNH + CH3 <=> CH3CN + CH4 # Reaction 1284 rate-constant: {A: 8.2e+05, b: 1.87, Ea: -1113.0} - equation: CH3 + HCN <=> CH3CHN # Reaction 1285 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 9900.0} - equation: CH3CHN + H <=> CH3CN + H2 # Reaction 1286 rate-constant: {A: 2.4e+08, b: 1.5, Ea: -894.0} - equation: CH3CHN + H <=> CH2CHN + H2 # Reaction 1287 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 1.51e+04} - equation: CH2CHN(S) + H2 <=> CH3CHN + H # Reaction 1288 rate-constant: {A: 7.2e+13, b: 0.0, Ea: 0.0} - equation: CH3CHN + O <=> CH3CN + OH # Reaction 1289 rate-constant: {A: 1.7e+08, b: 1.5, Ea: -894.0} - equation: CH3CHN + OH <=> CH3CN + H2O # Reaction 1290 rate-constant: {A: 1.2e+06, b: 2.0, Ea: -1192.0} - equation: CH3CHN + OH <=> CH2CHN + H2O # Reaction 1291 rate-constant: {A: 1100.0, b: 3.0, Ea: 2780.0} - equation: CH3CHN + OH <=> CH2CHN(S) + H2O # Reaction 1292 rate-constant: {A: 4.4e+13, b: -0.3485, Ea: -727.0} - equation: CH3CHN + NH2 <=> CH3CN + NH3 # Reaction 1293 rate-constant: {A: 9.2e+05, b: 1.94, Ea: -1152.0} - equation: CHCNH2 + H <=> CHCNH + H2 # Reaction 1294 rate-constant: {A: 4.8e+08, b: 1.5, Ea: 9706.0} - equation: CHCNH2 + O <=> CHCNH + OH # Reaction 1295 rate-constant: {A: 3.3e+08, b: 1.5, Ea: 6348.0} - equation: CHCNH2 + O <=> HCCO + NH2 # Reaction 1296 rate-constant: {A: 1.4e+07, b: 2.0, Ea: 1900.0} - equation: CHCNH2 + OH <=> CHCNH + H2O # Reaction 1297 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: CHCNH2 + CH3 <=> CHCNH + CH4 # Reaction 1298 rate-constant: {A: 1.6e+06, b: 1.87, Ea: 8842.0} - equation: CHCNH2 + NH2 <=> CHCNH + NH3 # Reaction 1299 rate-constant: {A: 1.8e+06, b: 1.94, Ea: 7143.0} - equation: CH2CNH <=> CH3CN # Reaction 1300 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 7.03e+04} - equation: CH2CNH + H <=> CH3CN + H # Reaction 1301 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CNH + H <=> CH3 + HNC # Reaction 1302 rate-constant: {A: 3.3e+10, b: 0.851, Ea: 2840.0} - equation: CH2CNH + H <=> CHCNH + H2 # Reaction 1303 rate-constant: {A: 3.0e+07, b: 2.0, Ea: 1.0e+04} - equation: CH2CNH + H <=> CH2CN + H2 # Reaction 1304 rate-constant: {A: 2.4e+08, b: 1.5, Ea: 7322.0} - equation: CH2CNH + O <=> CH2 + HNCO # Reaction 1305 rate-constant: {A: 1.8e+12, b: 0.0, Ea: 1350.0} - equation: CH2CNH + O <=> CHCNH + OH # Reaction 1306 rate-constant: {A: 2.0e+07, b: 2.0, Ea: 1.0e+04} - equation: CH2CNH + O <=> CH2CN + OH # Reaction 1307 rate-constant: {A: 1.7e+08, b: 1.5, Ea: 4630.0} - equation: CH2CNH + OH <=> CH2OH + HNC # Reaction 1308 rate-constant: {A: 1.0e+12, b: 0.0, Ea: -1013.0} - equation: CH2CNH + OH <=> CH3 + HNCO # Reaction 1309 rate-constant: {A: 6.7e+11, b: 0.0, Ea: -1013.0} - equation: CH2CNH + OH <=> CHCNH + H2O # Reaction 1310 rate-constant: {A: 1.0e+07, b: 2.0, Ea: 3000.0} - equation: CH2CNH + OH <=> CH2CN + H2O # Reaction 1311 rate-constant: {A: 1.2e+06, b: 2.0, Ea: -89.0} - equation: CH2CNH + CH3 <=> CH2CN + CH4 # Reaction 1312 rate-constant: {A: 8.2e+05, b: 1.87, Ea: 7123.0} - equation: CH2CNH + NH2 <=> CH2CN + NH3 # Reaction 1313 rate-constant: {A: 9.2e+05, b: 1.94, Ea: 4441.0} - equation: CH2CHN + H <=> CH3 + HCN # Reaction 1314 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHN + O <=> CH2O + HCN # Reaction 1315 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHN + O2 <=> CH2O + HNCO # Reaction 1316 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: CH2CHN(S) + M <=> CH2CHN + M # Reaction 1317 type: three-body rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} efficiencies: {H: 0.0} - equation: CH2CHN(S) + H <=> CH2CHN + H # Reaction 1318 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH2CHN(S) + H <=> CH3 + HCN # Reaction 1319 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHN(S) <=> c-C2H3N # Reaction 1320 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 4000.0} - equation: CH2CHN(S) <=> CH3CN # Reaction 1321 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 8000.0} - equation: CH2CHN(S) + O => HCO + HCN + H # Reaction 1322 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHN(S) + OH => CH2O + HCN + H # Reaction 1323 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: c-C2H3N <=> CH3CN # Reaction 1324 rate-constant: {A: 4.7e+13, b: 0.0, Ea: 4.15e+04} - equation: c-C2H3N + H <=> CH2NCH2 # Reaction 1325 rate-constant: {A: 9.8e+09, b: 1.212, Ea: 1969.0} - equation: c-C2H3N + H <=> CH2CHNH # Reaction 1326 rate-constant: {A: 1.1e+10, b: 1.229, Ea: 2422.0} - equation: c-C2H3N + O => H2CN + HCO # Reaction 1327 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: c-C2H3N + O => C2H3 + NO # Reaction 1328 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: c-C2H3N + OH => H2CN + CH2O # Reaction 1329 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CHCNH + H <=> CH2 + HNC # Reaction 1330 rate-constant: {A: 1.5e+14, b: 0.0, Ea: 0.0} - equation: CHCNH + O <=> H + CO + HNC # Reaction 1331 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CHCNH + OH <=> HCO + HCNH # Reaction 1332 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CHCNH + O2 <=> HNCO + HCO # Reaction 1333 rate-constant: {A: 4.9e+12, b: -0.142, Ea: 1150.0} - equation: CHCNH + O2 <=> HNC + CO + OH # Reaction 1334 rate-constant: {A: 1.6e+11, b: -0.02, Ea: 1020.0} - equation: CHCNH + O2 <=> HNC + HCO + O # Reaction 1335 rate-constant: {A: 220.0, b: 2.69, Ea: 3540.0} - equation: H2NCHO (+M) <=> CO + NH3 (+M) # Reaction 1336 type: falloff low-P-rate-constant: {A: 8.3e+14, b: 0.0, Ea: 4.9084e+04} high-P-rate-constant: {A: 1.0e+14, b: 0.0, Ea: 7.5514e+04} - equation: H2NCHO + M <=> HCO + NH2 + M # Reaction 1337 type: three-body rate-constant: {A: 1.4e+16, b: 0.0, Ea: 7.29e+04} - equation: H2NCHO + M <=> H2NCO + H + M # Reaction 1338 type: three-body rate-constant: {A: 4.6e+15, b: 0.0, Ea: 6.42e+04} - equation: H2NCHO + H <=> H2NCO + H2 # Reaction 1339 rate-constant: {A: 1.3e+13, b: 0.0, Ea: 6955.0} - equation: H2NCHO + H <=> HCO + NH3 # Reaction 1340 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.91e+04} - equation: H2NCHO + O <=> H2NCO + OH # Reaction 1341 rate-constant: {A: 4.0e+08, b: 1.5, Ea: 5196.0} - equation: H2NCHO + OH <=> H2NCO + H2O # Reaction 1342 rate-constant: {A: 8.0e+12, b: 0.0, Ea: 0.0} - equation: H2NCHO + CH3 <=> H2NCO + CH4 # Reaction 1343 rate-constant: {A: 7.0e+05, b: 2.0, Ea: 9000.0} - equation: H2NCHO + NH2 <=> H2NCO + NH3 # Reaction 1344 rate-constant: {A: 2.0e+06, b: 2.0, Ea: 5000.0} - equation: H2NCO (+M) <=> CO + NH2 (+M) # Reaction 1345 type: falloff low-P-rate-constant: {A: 1.0e+14, b: 0.0, Ea: 2.17e+04} high-P-rate-constant: {A: 5.9e+12, b: 0.0, Ea: 2.5e+04} - equation: H2NCO + H <=> HNCO + H2 # Reaction 1346 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: H2NCO + O <=> HNCO + OH # Reaction 1347 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: H2NCO + OH <=> HNCO + H2O # Reaction 1348 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH3NHCH2 + H (+M) <=> CH3NHCH3 (+M) # Reaction 1349 type: falloff low-P-rate-constant: {A: 1.99e+41, b: -7.08, Ea: 6685.0} high-P-rate-constant: {A: 5.2e+17, b: -0.99, Ea: 1580.0} Troe: {A: 0.8422, T3: 125.0, T1: 2219.0, T2: 6882.0} - equation: CH3NCH3 + H <=> CH3NHCH3 # Reaction 1350 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: CH3NHCH3 + H <=> CH3NHCH2 + H2 # Reaction 1351 rate-constant: {A: 5.6e+08, b: 1.5, Ea: 5464.0} - equation: CH3NHCH3 + H <=> CH3NCH3 + H2 # Reaction 1352 rate-constant: {A: 4.8e+08, b: 1.5, Ea: 9706.0} - equation: CH3NHCH3 + O <=> CH3NHCH2 + OH # Reaction 1353 rate-constant: {A: 6.1e+12, b: 0.0, Ea: 556.0} - equation: CH3NHCH3 + O <=> CH3NCH3 + OH # Reaction 1354 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 556.0} - equation: CH3NHCH3 + OH <=> CH3NHCH2 + H2O # Reaction 1355 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3NHCH3 + OH <=> CH3NCH3 + H2O # Reaction 1356 rate-constant: {A: 1.9e+13, b: 0.0, Ea: 0.0} - equation: CH3NHCH3 + CH3 <=> CH3NHCH2 + CH4 # Reaction 1357 rate-constant: {A: 1.5e+06, b: 1.87, Ea: 9170.0} - equation: CH3NHCH3 + CH3 <=> CH3NCH3 + CH4 # Reaction 1358 rate-constant: {A: 1.6e+06, b: 1.87, Ea: 8842.0} - equation: CH3NHCH3 + NH2 <=> CH3NHCH2 + NH3 # Reaction 1359 rate-constant: {A: 2.8e+06, b: 1.94, Ea: 5494.0} - equation: CH3NHCH3 + NH2 <=> CH3NCH3 + NH3 # Reaction 1360 rate-constant: {A: 1.8e+06, b: 1.94, Ea: 7143.0} - equation: CH3NHCH2 <=> CH3 + CH2NH # Reaction 1361 rate-constant: {A: 9.8e+43, b: -10.302, Ea: 3.7459e+04} - equation: CH3NHCH2 <=> CH3NCH2 + H # Reaction 1362 rate-constant: {A: 5.9e+44, b: -10.314, Ea: 4.6803e+04} - equation: CH3NHCH2 + H <=> CH3NCH2 + H2 # Reaction 1363 rate-constant: {A: 4.8e+08, b: 1.5, Ea: -894.0} - equation: CH3NHCH2 + O <=> CH2O + CH3NH # Reaction 1364 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} - equation: CH3NHCH2 + O <=> CH3NCH2 + OH # Reaction 1365 rate-constant: {A: 3.3e+08, b: 1.5, Ea: -894.0} - equation: CH3NHCH2 + OH <=> CH2OH + CH3NH # Reaction 1366 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH3NHCH2 + OH <=> CH3NCH2 + H2O # Reaction 1367 rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1192.0} - equation: CH3NHCH2 + CH3 <=> C2H5 + CH3NH # Reaction 1368 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 2702.0} - equation: CH3NHCH2 + CH3 <=> CH3NCH2 + CH4 # Reaction 1369 rate-constant: {A: 1.6e+06, b: 1.87, Ea: -626.0} - equation: CH3NCH3 <=> CH3NCH2 + H # Reaction 1370 rate-constant: {A: 1.6e+35, b: -7.544, Ea: 3.8425e+04} - equation: CH3NCH3 + H <=> CH3NCH2 + H2 # Reaction 1371 rate-constant: {A: 3.2e+12, b: 0.0, Ea: 0.0} - equation: CH3NCH3 + O <=> CH3NO + CH3 # Reaction 1372 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH3NCH3 + OH <=> CH3NCH2 + H2O # Reaction 1373 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: CH3NCH3 + O2 <=> CH3NO + CH3O # Reaction 1374 rate-constant: {A: 1.0e+09, b: 1.0, Ea: 6000.0} - equation: CH3NCH3 + CH3 <=> CH3NCH2 + CH4 # Reaction 1375 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: CH2NCH2 + H <=> CH3NCH2 # Reaction 1376 rate-constant: {A: 5.8e+13, b: 0.18, Ea: -125.0} - equation: CH3NCH2 + H <=> CH2NCH2 + H2 # Reaction 1377 rate-constant: {A: 5.6e+08, b: 1.5, Ea: 5464.0} - equation: CH3NCH2 + H <=> CH3NCH + H2 # Reaction 1378 rate-constant: {A: 3.0e+08, b: 1.5, Ea: 6130.0} - equation: CH3NCH2 + O <=> CH2NCH2 + OH # Reaction 1379 rate-constant: {A: 4.0e+08, b: 1.5, Ea: 5196.0} - equation: CH3NCH2 + O <=> CH3NCH + OH # Reaction 1380 rate-constant: {A: 2.2e+08, b: 1.5, Ea: 5404.0} - equation: CH3NCH2 + OH <=> CH2NCH2 + H2O # Reaction 1381 rate-constant: {A: 8.0e+12, b: 0.0, Ea: 0.0} - equation: CH3NCH2 + OH <=> CH3NCH + H2O # Reaction 1382 rate-constant: {A: 2.4e+06, b: 2.0, Ea: 457.0} - equation: CH3NCH2 + CH3 <=> CH2NCH2 + CH4 # Reaction 1383 rate-constant: {A: 1.5e+06, b: 1.87, Ea: 9170.0} - equation: CH3NCH2 + CH3 <=> CH3NCH + CH4 # Reaction 1384 rate-constant: {A: 5.3e+05, b: 1.87, Ea: 9687.0} - equation: CH3NCH2 + NH2 <=> CH2NCH2 + NH3 # Reaction 1385 rate-constant: {A: 2.8e+06, b: 1.94, Ea: 5494.0} - equation: CH3NCH2 + NH2 <=> CH3NCH + NH3 # Reaction 1386 rate-constant: {A: 1.8e+06, b: 1.94, Ea: 6090.0} - equation: CH2NCH2 <=> CH3NCH # Reaction 1387 rate-constant: {A: 1.3e+45, b: -10.068, Ea: 6.6111e+04} - equation: CH2NCH2 + H <=> CH3 + H2CN # Reaction 1388 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NCH2 + O <=> CH2O + H2CN # Reaction 1389 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2NCH2 + OH <=> CH2OH + H2CN # Reaction 1390 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3NCH <=> CH3 + HCN # Reaction 1391 rate-constant: {A: 8.1e+15, b: -2.375, Ea: 1.4942e+04} - equation: CH3NCH + H <=> CH2NCH2 + H # Reaction 1392 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3NCH + O => CH3 + NCO + H # Reaction 1393 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} #------------------------------------------------------------------------------- #--------------------------- C/F/H/O Chemistry (1,2) --------------------------- #------------------------------------------------------------------------------- - equation: H + F + M <=> HF + M # Reaction 1394 type: three-body rate-constant: {A: 1.7e+21, b: -2.0, Ea: 0.0} efficiencies: {H2: 2.0, H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: H2 + F <=> H + HF # Reaction 1395 rate-constant: {A: 2.56e+12, b: 0.5, Ea: 650.0} - equation: OH + F <=> O + HF # Reaction 1396 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: HO2 + F <=> O2 + HF # Reaction 1397 rate-constant: {A: 2.89e+12, b: 0.5, Ea: 0.0} - equation: H2O + F <=> OH + HF # Reaction 1398 rate-constant: {A: 1.3e+09, b: 1.5, Ea: 0.0} - equation: H2O2 + F <=> HO2 + HF # Reaction 1399 rate-constant: {A: 1.73e+12, b: 0.5, Ea: 0.0} - equation: CH3F (+M) <=> CH2(S) + HF (+M) # Reaction 1400 type: falloff low-P-rate-constant: {A: 1.5e+16, b: 0.0, Ea: 6.7499e+04} high-P-rate-constant: {A: 1.0e+14, b: 0.0, Ea: 8.5e+04} efficiencies: {H2: 2.0, H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0} - equation: CHF + H2 <=> CH3F # Reaction 1401 rate-constant: {A: 2.25e+17, b: -2.85, Ea: 1.3e+04} - equation: CH2F + H <=> CH3F # Reaction 1402 rate-constant: {A: 3.03e+21, b: -3.38, Ea: 3460.0} - equation: CH2F2 (+M) <=> CHF + HF (+M) # Reaction 1403 type: falloff low-P-rate-constant: {A: 6.5e+17, b: 0.0, Ea: 6.26e+04} high-P-rate-constant: {A: 1.5e+15, b: 0.0, Ea: 8.18e+04} Troe: {A: 0.08, T3: 1.0e-30, T1: 1.0e+30} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, HF: 2.0, CH2F2: 2.0, CH3-CHF2: 2.0, CH2F-CF3: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CF2 + H2 <=> CH2F2 # Reaction 1404 rate-constant: {A: 1.7e+06, b: -0.71, Ea: 4.09e+04} - equation: CHF2 + H <=> CH2F2 # Reaction 1405 rate-constant: {A: 2.75e+06, b: -0.32, Ea: 7690.0} - equation: CHF3 (+M) <=> CF2 + HF (+M) # Reaction 1406 type: falloff low-P-rate-constant: {A: 1.23e+16, b: 0.0, Ea: 5.17e+04} high-P-rate-constant: {A: 5.0e+15, b: 0.0, Ea: 7.4e+04} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, CH2F2: 2.0, CHF3: 2.0, HF: 2.0, CF2O: 5.0, CH2F-CF3: 2.0} - equation: CF4 (+M) <=> CF3 + F (+M) # Reaction 1407 type: falloff low-P-rate-constant: {A: 9.0e+34, b: -4.64, Ea: 1.224e+05} high-P-rate-constant: {A: 6.31e+16, b: 0.0, Ea: 1.2894e+05} efficiencies: {H2: 2.0, H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CH3F + H <=> CH2F + H2 # Reaction 1408 rate-constant: {A: 6.51e+07, b: 1.96, Ea: 1.071e+04} - equation: CH2F2 + H <=> CHF2 + H2 # Reaction 1409 rate-constant: {A: 5720.0, b: 2.69, Ea: 1.234e+04} - equation: CHF3 + H <=> CF3 + H2 # Reaction 1410 rate-constant: {A: 7.83e+06, b: 2.06, Ea: 1.23e+04} - equation: CH3F + H <=> CH3 + HF # Reaction 1411 rate-constant: {A: 1.73e+08, b: 1.77, Ea: 3.1e+04} - equation: CH3F + H <=> CH4 + F # Reaction 1412 rate-constant: {A: 2.83e+08, b: 1.61, Ea: 3.835e+04} - equation: CH2F2 + H <=> CH2F + HF # Reaction 1413 rate-constant: {A: 4.9e+08, b: 1.73, Ea: 3.537e+04} - equation: CHF3 + H <=> CHF2 + HF # Reaction 1414 rate-constant: {A: 2.11e+08, b: 1.77, Ea: 3.98e+04} - equation: CHF3 + H <=> CH2F2 + F # Reaction 1415 rate-constant: {A: 4.32e+08, b: 1.6, Ea: 6.299e+04} - equation: CF4 + H <=> CF3 + HF # Reaction 1416 rate-constant: {A: 3.07e+09, b: 1.58, Ea: 4.133e+04} - equation: CF4 + H <=> CHF3 + F # Reaction 1417 rate-constant: {A: 9.15e+08, b: 1.45, Ea: 6.359e+04} - equation: CH2F2 + H <=> CH3F + F # Reaction 1418 rate-constant: {A: 4.87, b: 1.61, Ea: 5.107e+04} - equation: CH3F + O <=> CH2F + OH # Reaction 1419 rate-constant: {A: 3010.0, b: 3.13, Ea: 4890.0} - equation: CH2F2 + O <=> CHF2 + OH # Reaction 1420 rate-constant: {A: 1200.0, b: 3.17, Ea: 5410.0} - equation: CHF3 + O <=> CF3 + OH # Reaction 1421 rate-constant: {A: 3.07e+14, b: 0.0, Ea: 1.895e+04} - equation: CH3F + OH <=> CH2F + H2O # Reaction 1422 rate-constant: {A: 2.6e+08, b: 1.5, Ea: 2940.0} - equation: CH2F2 + OH <=> CHF2 + H2O # Reaction 1423 rate-constant: {A: 264.0, b: 3.27, Ea: 950.0} - equation: CHF3 + OH <=> CF3 + H2O # Reaction 1424 rate-constant: {A: 1.25e+07, b: 1.55, Ea: 3670.0} - equation: CH3F + CH3 <=> CH2F + CH4 # Reaction 1425 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 1.14e+04} - equation: CH2F2 + CH3 <=> CHF2 + CH4 # Reaction 1426 rate-constant: {A: 8.7e+10, b: 0.0, Ea: 1.02e+04} - equation: CF3 + CH4 <=> CHF3 + CH3 # Reaction 1427 rate-constant: {A: 8.34e+11, b: 0.0, Ea: 1.092e+04} - equation: CF4 + CH3 <=> CH3F + CF3 # Reaction 1428 rate-constant: {A: 9.64e+04, b: 2.41, Ea: 2.613e+04} - equation: CH3F + C2H3 <=> CH2F + C2H4 # Reaction 1429 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 1.03e+04} - equation: CH2F2 + C2H3 <=> CHF2 + C2H4 # Reaction 1430 rate-constant: {A: 9.0e+10, b: 0.0, Ea: 9200.0} - equation: CF3 + C2H4 <=> CHF3 + C2H3 # Reaction 1431 rate-constant: {A: 8.0e+11, b: 0.0, Ea: 1.2e+04} - equation: CF3 (+M) <=> CF2 + F (+M) # Reaction 1432 type: falloff low-P-rate-constant: {A: 5.0e+15, b: 0.0, Ea: 5.966e+04} high-P-rate-constant: {A: 1.0e+15, b: 0.0, Ea: 8.237e+04} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, AR: 0.7, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CH3F + CF3 <=> CH2F + CHF3 # Reaction 1433 rate-constant: {A: 5.75e+11, b: 0.0, Ea: 1.121e+04} - equation: CH2F2 + CH2F <=> CHF2 + CH3F # Reaction 1434 rate-constant: {A: 9.0e+10, b: 0.0, Ea: 1.4e+04} - equation: CH2F2 + CF3 <=> CHF2 + CHF3 # Reaction 1435 rate-constant: {A: 4.27e+11, b: 0.0, Ea: 1.13e+04} - equation: CH3OH + CH2F <=> CH3O + CH3F # Reaction 1436 rate-constant: {A: 14.4, b: 3.1, Ea: 9800.0} - equation: CH3OH + CHF2 <=> CH3O + CH2F2 # Reaction 1437 rate-constant: {A: 14.4, b: 3.1, Ea: 9000.0} - equation: CH3OH + CF3 <=> CH3O + CHF3 # Reaction 1438 rate-constant: {A: 14.4, b: 3.1, Ea: 5500.0} - equation: CH3OH + CH2F <=> CH2OH + CH3F # Reaction 1439 rate-constant: {A: 32.0, b: 3.2, Ea: 1.0e+04} - equation: CH3OH + CHF2 <=> CH2OH + CH2F2 # Reaction 1440 rate-constant: {A: 32.0, b: 3.2, Ea: 9300.0} - equation: CH3OH + CF3 <=> CH2OH + CHF3 # Reaction 1441 rate-constant: {A: 32.0, b: 3.2, Ea: 5700.0} - equation: CH2O + CH2F <=> HCO + CH3F # Reaction 1442 rate-constant: {A: 5540.0, b: 2.81, Ea: 8300.0} - equation: CH2O + CHF2 <=> HCO + CH2F2 # Reaction 1443 rate-constant: {A: 5540.0, b: 2.81, Ea: 7800.0} - equation: CH2O + CF3 <=> HCO + CHF3 # Reaction 1444 rate-constant: {A: 5540.0, b: 2.81, Ea: 4600.0} - equation: HCO + CH2F <=> CO + CH3F # Reaction 1445 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + CHF2 <=> CO + CH2F2 # Reaction 1446 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + CF3 <=> CO + CHF3 # Reaction 1447 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + CH2F <=> CH2CO + HF # Reaction 1448 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + CHF2 <=> CHFCO + HF # Reaction 1449 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + CF3 <=> CF2CO + HF # Reaction 1450 rate-constant: {A: 2.7e+13, b: 0.0, Ea: 0.0} - equation: CH2F + H2O2 <=> CH3F + HO2 # Reaction 1451 rate-constant: {A: 1.2e+10, b: 0.0, Ea: -600.0} - equation: CHF2 + H2O2 <=> CH2F2 + HO2 # Reaction 1452 rate-constant: {A: 1.2e+10, b: 0.0, Ea: -600.0} - equation: CF3 + H2O2 <=> CHF3 + HO2 # Reaction 1453 rate-constant: {A: 1.2e+10, b: 0.0, Ea: -600.0} - equation: CH2F + H <=> CH2(S) + HF # Reaction 1454 rate-constant: {A: 1.1e+14, b: 0.0, Ea: 0.0} - equation: CH2F + H <=> CHF + H2 # Reaction 1455 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CHF2 + H <=> CHF + HF # Reaction 1456 rate-constant: {A: 1.49e+14, b: -0.11, Ea: 101.0} - equation: CHF2 + H <=> CF2 + H2 # Reaction 1457 rate-constant: {A: 5500.0, b: 2.42, Ea: -420.0} - equation: CF3 + H <=> CF2 + HF # Reaction 1458 rate-constant: {A: 5.33e+13, b: 0.0, Ea: 0.0} - equation: CH3 + F <=> CH2(S) + HF # Reaction 1459 rate-constant: {A: 1.62e+16, b: -0.88, Ea: -981.0} - equation: CH3 + F <=> CH2F + H # Reaction 1460 rate-constant: {A: 1.36e+12, b: -0.39, Ea: -265.0} - equation: CH2F + F <=> CHF + HF # Reaction 1461 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CHF2 + F <=> CF2 + HF # Reaction 1462 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2F + O2 => CHFO + O + H # Reaction 1463 rate-constant: {A: 1.32e+14, b: 0.0, Ea: 2.5e+04} - equation: CH2F + O2 <=> CHFO + OH # Reaction 1464 rate-constant: {A: 1.03e+12, b: 0.0, Ea: 8940.0} - equation: CHF2 + O2 <=> CF2O + OH # Reaction 1465 rate-constant: {A: 4.9e+10, b: 0.0, Ea: 3490.0} - equation: CF3 + O2 <=> CF3O + O # Reaction 1466 rate-constant: {A: 3.4e+09, b: 1.14, Ea: 2.1e+04} - equation: CH2F + O <=> CHFO + H # Reaction 1467 rate-constant: {A: 5.7e+13, b: 0.0, Ea: 0.0} - equation: CHF2 + O <=> CF2O + H # Reaction 1468 rate-constant: {A: 3.7e+13, b: 0.0, Ea: 0.0} - equation: CF3 + O <=> CF2O + F # Reaction 1469 rate-constant: {A: 1.54e+13, b: 0.0, Ea: 0.0} - equation: CH2F + OH <=> CH2O + HF # Reaction 1470 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0} - equation: CHF2 + OH <=> CHFO + HF # Reaction 1471 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CF3 + OH <=> CF2O + HF # Reaction 1472 rate-constant: {A: 1.46e+13, b: -0.06, Ea: -266.0} - equation: CH2F + HO2 => CHFO + OH + H # Reaction 1473 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} - equation: CHF2 + HO2 => CF2O + OH + H # Reaction 1474 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} - equation: CF3 + HO2 <=> CF3O + OH # Reaction 1475 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2F + HO2 <=> CH3F + O2 # Reaction 1476 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0} - equation: CHF2 + HO2 <=> CH2F2 + O2 # Reaction 1477 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0} - equation: CF3 + HO2 <=> CHF3 + O2 # Reaction 1478 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: CF3O <=> CF2O + F # Reaction 1479 rate-constant: {A: 9.03e+26, b: -3.42, Ea: 2.17e+04} - equation: CF3O + H <=> CF2O + HF # Reaction 1480 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CF3O + H2 => CF2O + HF + H # Reaction 1481 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 5000.0} - equation: CF3O + H2O => CF2O + HF + OH # Reaction 1482 rate-constant: {A: 5.13e+07, b: 1.4, Ea: 6220.0} - equation: CF3O + CH4 => CF2O + HF + CH3 # Reaction 1483 rate-constant: {A: 2.7e+12, b: 0.0, Ea: 3200.0} - equation: CF3O + C2H6 => CF2O + HF + C2H5 # Reaction 1484 rate-constant: {A: 6.81e+12, b: 0.0, Ea: 1280.0} - equation: CF3O + C2H4 => CF2O + HF + C2H3 # Reaction 1485 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 5000.0} - equation: CF3O + C2H2 => CF2O + CH2CF # Reaction 1486 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 5000.0} - equation: CF3O + CH2O => CF2O + HF + HCO # Reaction 1487 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 5000.0} - equation: CF3O + HCO => CF2O + HF + CO # Reaction 1488 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 2000.0} - equation: CF3O + F <=> F2 + CF2O # Reaction 1489 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 7000.0} - equation: CHF + O2 <=> CHFO + O # Reaction 1490 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 2100.0} - equation: CF2 + O2 <=> CF2O + O # Reaction 1491 rate-constant: {A: 2.7e+13, b: 0.0, Ea: 2.65e+04} - equation: CHF + O <=> CO + HF # Reaction 1492 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: CF2 + O <=> CFO + F # Reaction 1493 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CHF + OH <=> CHFO + H # Reaction 1494 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CF2 + OH <=> CF2O + H # Reaction 1495 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 3500.0} - equation: CHF + OH <=> HCO + HF # Reaction 1496 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: CF2 + OH <=> CFO + HF # Reaction 1497 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CHF + HO2 <=> CHFO + OH # Reaction 1498 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CF2 + HO2 <=> CF2O + OH # Reaction 1499 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 3500.0} - equation: CHF + HO2 <=> CH2F + O2 # Reaction 1500 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: CF2 + HO2 <=> CHF2 + O2 # Reaction 1501 rate-constant: {A: 5.0e+11, b: 0.0, Ea: 4500.0} - equation: CHF + H2O <=> CH2O + HF # Reaction 1502 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 6500.0} - equation: CF2 + H2O <=> CHFO + HF # Reaction 1503 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 2.5e+04} - equation: CF2 (+M) <=> CF + F (+M) # Reaction 1504 type: falloff low-P-rate-constant: {A: 2.29e+15, b: 0.0, Ea: 9.547e+04} high-P-rate-constant: {A: 5.3e+14, b: 0.0, Ea: 1.183e+05} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, AR: 0.7, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CHF + H <=> CH + HF # Reaction 1505 rate-constant: {A: 6.5e+13, b: 0.0, Ea: 0.0} - equation: CHF + H <=> CF + H2 # Reaction 1506 rate-constant: {A: 2.3e+14, b: 0.0, Ea: 0.0} - equation: CF2 + H <=> CF + HF # Reaction 1507 rate-constant: {A: 3.98e+13, b: 0.0, Ea: 4540.0} - equation: CH2O + CHF <=> HCO + CH2F # Reaction 1508 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CH2O + CHF <=> CH2CO + HF # Reaction 1509 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CH2O + CF2 <=> HCO + CHF2 # Reaction 1510 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 4.1e+04} - equation: CH2O + CF2 <=> CHFCO + HF # Reaction 1511 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 4.1e+04} - equation: HCO + CHF <=> CO + CH2F # Reaction 1512 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.5e+04} - equation: HCO + CF2 <=> CO + CHF2 # Reaction 1513 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.1e+04} - equation: CH2(S) + HF <=> CHF + H2 # Reaction 1514 rate-constant: {A: 2.08e+07, b: 1.27, Ea: 8330.0} - equation: CHF + HF <=> CF2 + H2 # Reaction 1515 rate-constant: {A: 9.0e+11, b: 0.0, Ea: 0.0} - equation: CF + O2 <=> CFO + O # Reaction 1516 rate-constant: {A: 6.62e+12, b: 0.0, Ea: 1690.0} - equation: CF + H2O <=> CHFO + H # Reaction 1517 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.7e+04} - equation: CF + H <=> C + HF # Reaction 1518 rate-constant: {A: 8.0e+13, b: 0.0, Ea: 1160.0} - equation: CF + O <=> CO + F # Reaction 1519 rate-constant: {A: 8.0e+13, b: 0.0, Ea: 1410.0} - equation: CF + OH <=> CO + HF # Reaction 1520 rate-constant: {A: 8.0e+13, b: 0.0, Ea: 1410.0} - equation: CF + HO2 => CFO + OH # Reaction 1521 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CF + CH3 => CH2CF + H # Reaction 1522 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CF + C2H3 => C2HF + CH2 # Reaction 1523 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CF + CH2 => C2HF + H # Reaction 1524 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CF + CH2(S) => C2HF + H # Reaction 1525 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CF + CH4 => CH2CHF + H # Reaction 1526 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.0e+04} - equation: CF + C2H4 => C2H2 + CH2F # Reaction 1527 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CF + CH2O => CHF + HCO # Reaction 1528 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 8000.0} - equation: CF + HCO => CHF + CO # Reaction 1529 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH + HF <=> CF + H2 # Reaction 1530 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CF3O + CO <=> CO2 + CF3 # Reaction 1531 rate-constant: {A: 3.13e+10, b: 0.0, Ea: 0.0} - equation: CHFO <=> CO + HF # Reaction 1532 rate-constant: {A: 2.48e+25, b: -3.0, Ea: 4.3e+04} - equation: CFO + F <=> CF2O # Reaction 1533 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: CHFO + H <=> CFO + H2 # Reaction 1534 rate-constant: {A: 1.1e+08, b: 1.77, Ea: 3000.0} - equation: CF2O + H <=> CFO + HF # Reaction 1535 duplicate: true rate-constant: {A: 2.4e+07, b: 1.88, Ea: 3.59e+04} - equation: CF2O + H <=> CFO + HF # Reaction 1536 duplicate: true rate-constant: {A: 1.2e+10, b: 0.83, Ea: 2.23e+04} - equation: CF2O + H <=> CFO + HF # Reaction 1537 duplicate: true rate-constant: {A: 5.5e+08, b: 1.42, Ea: 1.89e+04} - equation: CF2O + H2O => CO2 + HF + HF # Reaction 1538 rate-constant: {A: 7.4e-03, b: 3.84, Ea: 2.51e+04} - equation: CHFO + O <=> CFO + OH # Reaction 1539 rate-constant: {A: 9.0e+12, b: 0.0, Ea: 3080.0} - equation: CHFO + OH <=> CFO + H2O # Reaction 1540 rate-constant: {A: 2.83e+13, b: 0.0, Ea: 6620.0} - equation: CF2O + OH => CO2 + F + HF # Reaction 1541 rate-constant: {A: 2700.0, b: 2.38, Ea: 2.1e+04} - equation: CFO + H2O2 <=> CHFO + HO2 # Reaction 1542 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 3900.0} - equation: CHFO + CH3 <=> CFO + CH4 # Reaction 1543 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 9000.0} - equation: CHFO + CH2F <=> CFO + CH3F # Reaction 1544 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 9000.0} - equation: CHFO + CHF2 <=> CFO + CH2F2 # Reaction 1545 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 9000.0} - equation: CHFO + CF3 <=> CFO + CHF3 # Reaction 1546 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 9000.0} - equation: CHFO + C2H3 <=> CFO + C2H4 # Reaction 1547 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 5000.0} - equation: CO + F + M <=> CFO + M # Reaction 1548 type: three-body rate-constant: {A: 3.09e+19, b: -1.4, Ea: -487.0} efficiencies: {H2: 2.0, H2O: 18.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CFO + H <=> CO + HF # Reaction 1549 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0} - equation: CFO + O <=> CO2 + F # Reaction 1550 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CFO + OH <=> CO2 + HF # Reaction 1551 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CFO + HO2 => CO2 + F + OH # Reaction 1552 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CFO + CH3 <=> CH2CO + HF # Reaction 1553 rate-constant: {A: 2.7e+13, b: 0.0, Ea: 0.0} - equation: CFO + CH2F <=> CHFCO + HF # Reaction 1554 rate-constant: {A: 2.7e+13, b: 0.0, Ea: 0.0} - equation: CFO + CFO <=> CO + CF2O # Reaction 1555 rate-constant: {A: 2.23e+13, b: 0.0, Ea: 318.0} - equation: CFO + CHF2 <=> CF2CO + HF # Reaction 1556 rate-constant: {A: 2.7e+13, b: 0.0, Ea: 2.0e+04} - equation: CFO + CF2 <=> CF3 + CO # Reaction 1557 rate-constant: {A: 5.4e+11, b: 0.0, Ea: 0.0} - equation: CH3-CH2F (+M) <=> C2H4 + HF (+M) # Reaction 1558 type: falloff low-P-rate-constant: {A: 8.7e+68, b: -14.94, Ea: 7.571e+04} high-P-rate-constant: {A: 1.83e+13, b: 0.0, Ea: 5.99e+04} Troe: {A: 0.652, T3: 10.0, T1: 1496.0} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, AR: 0.7} - equation: CH3-CHF2 <=> CH2CHF + HF # Reaction 1559 rate-constant: {A: 7.9e+13, b: 0.0, Ea: 6.38e+04} - equation: CH3-CF3 <=> CH2CF2 + HF # Reaction 1560 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 6.87e+04} - equation: CH2F-CH2F <=> CH2CHF + HF # Reaction 1561 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 6.29e+04} - equation: CH2F-CHF2 <=> CHFCHF[Z] + HF # Reaction 1562 rate-constant: {A: 1.26e+14, b: 0.0, Ea: 6.91e+04} - equation: CH2F-CHF2 <=> CH2CF2 + HF # Reaction 1563 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 6.54e+04} - equation: CH2F-CF3 <=> CHFCF2 + HF # Reaction 1564 rate-constant: {A: 5.7e+11, b: 0.0, Ea: 6.269e+04} - equation: CHF2-CHF2 <=> CHFCF2 + HF # Reaction 1565 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 6.94e+04} - equation: CHF2-CF3 <=> CF2CF2 + HF # Reaction 1566 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 7.16e+04} - equation: CH2F-CH2 + H <=> C2H4 + HF # Reaction 1567 rate-constant: {A: 1.44e+20, b: -2.12, Ea: 1730.0} - equation: CH3-CHF + H <=> C2H4 + HF # Reaction 1568 rate-constant: {A: 2.27e+20, b: -2.21, Ea: 1950.0} - equation: CH2F-CHF + H <=> CH2CHF + HF # Reaction 1569 rate-constant: {A: 2.06e+23, b: -3.23, Ea: 2280.0} - equation: CHF2-CH2 + H <=> CH2CHF + HF # Reaction 1570 rate-constant: {A: 5.24e+16, b: -0.933, Ea: 880.0} - equation: CH3-CF2 + H <=> CH2CHF + HF # Reaction 1571 rate-constant: {A: 2.09e+16, b: -0.854, Ea: 848.0} - equation: CHF2-CHF + H <=> CHFCHF[Z] + HF # Reaction 1572 rate-constant: {A: 1.86e+20, b: -2.29, Ea: 1750.0} - equation: CHF2-CHF + H <=> CH2CF2 + HF # Reaction 1573 rate-constant: {A: 9.95e+19, b: -2.34, Ea: 1780.0} - equation: CH2F-CF2 + H <=> CHFCHF[Z] + HF # Reaction 1574 rate-constant: {A: 6.32e+19, b: -2.21, Ea: 1630.0} - equation: CH2F-CF2 + H <=> CH2CF2 + HF # Reaction 1575 rate-constant: {A: 3.36e+19, b: -2.26, Ea: 1660.0} - equation: CF3-CH2 + H <=> CH2CF2 + HF # Reaction 1576 rate-constant: {A: 1.12e+21, b: -2.27, Ea: 2240.0} - equation: CF3-CHF + H <=> CHFCF2 + HF # Reaction 1577 rate-constant: {A: 6.56e+24, b: -3.57, Ea: 4225.0} - equation: CHF2-CF2 + H <=> CHFCF2 + HF # Reaction 1578 rate-constant: {A: 1.81e+22, b: -2.92, Ea: 3070.0} - equation: CF3-CF2 + H <=> CF2CF2 + HF # Reaction 1579 rate-constant: {A: 1.41e+21, b: -2.4, Ea: 3630.0} - equation: CH2F-CH2 + H <=> CH3 + CH2F # Reaction 1580 rate-constant: {A: 3.8e+11, b: 0.635, Ea: 633.0} - equation: CH3-CHF + H <=> CH3 + CH2F # Reaction 1581 rate-constant: {A: 3.47e+10, b: 0.9, Ea: 1370.0} - equation: CH2F-CHF + H <=> CH2F + CH2F # Reaction 1582 rate-constant: {A: 1.79e+14, b: -0.105, Ea: 1320.0} - equation: CHF2-CH2 + H <=> CH3 + CHF2 # Reaction 1583 rate-constant: {A: 2.02e+06, b: 2.16, Ea: 451.0} - equation: CH3-CF2 + H <=> CH3 + CHF2 # Reaction 1584 rate-constant: {A: 1.62e+05, b: 2.5, Ea: 1370.0} - equation: CHF2-CHF + H <=> CH2F + CHF2 # Reaction 1585 rate-constant: {A: 6.36e+12, b: 0.318, Ea: 1460.0} - equation: CH2F-CF2 + H <=> CH2F + CHF2 # Reaction 1586 rate-constant: {A: 3.64e+12, b: 0.329, Ea: 1180.0} - equation: CF3-CH2 + H <=> CH3 + CF3 # Reaction 1587 rate-constant: {A: 2.48e+11, b: 0.816, Ea: 2870.0} - equation: CF3-CHF + H <=> CF3 + CH2F # Reaction 1588 rate-constant: {A: 4.28e+16, b: -0.74, Ea: 4750.0} - equation: CHF2-CF2 + H <=> CHF2 + CHF2 # Reaction 1589 rate-constant: {A: 3.25e+15, b: -0.524, Ea: 3000.0} - equation: CF3-CF2 + H <=> CHF2 + CF3 # Reaction 1590 rate-constant: {A: 4.37e+16, b: -0.746, Ea: 4360.0} - equation: CH2F-CH2 + H <=> CH3-CH2F # Reaction 1591 rate-constant: {A: 1.19e+35, b: -8.51, Ea: 8140.0} - equation: CH3-CHF + H <=> CH3-CH2F # Reaction 1592 rate-constant: {A: 9.57e+38, b: -9.24, Ea: 7360.0} - equation: CH2F-CHF + H <=> CH2F-CH2F # Reaction 1593 rate-constant: {A: 1.56e+45, b: -10.8, Ea: 8070.0} - equation: CHF2-CH2 + H <=> CH3-CHF2 # Reaction 1594 rate-constant: {A: 2.96e+37, b: -9.05, Ea: 7160.0} - equation: CH3-CF2 + H <=> CH3-CHF2 # Reaction 1595 rate-constant: {A: 3.11e+40, b: -9.59, Ea: 7190.0} - equation: CHF2-CHF + H <=> CH2F-CHF2 # Reaction 1596 rate-constant: {A: 1.2e+44, b: -10.6, Ea: 7520.0} - equation: CH2F-CF2 + H <=> CH2F-CHF2 # Reaction 1597 rate-constant: {A: 2.74e+43, b: -10.5, Ea: 7670.0} - equation: CF3-CH2 + H <=> CH3-CF3 # Reaction 1598 rate-constant: {A: 7.27e+42, b: -9.86, Ea: 7360.0} - equation: CHF2-CF2 + H <=> CHF2-CHF2 # Reaction 1599 rate-constant: {A: 3.77e+46, b: -10.8, Ea: 8980.0} - equation: CF3-CF2 + H <=> CHF2-CF3 # Reaction 1600 rate-constant: {A: 1.12e+47, b: -10.8, Ea: 4100.0} - equation: CH3 + CH2F <=> C2H4 + HF # Reaction 1601 rate-constant: {A: 1.85e+19, b: -1.86, Ea: 1870.0} - equation: CH2F + CH2F <=> CH2CHF + HF # Reaction 1602 rate-constant: {A: 7.56e+21, b: -2.79, Ea: 2590.0} - equation: CH3 + CHF2 <=> CH2CHF + HF # Reaction 1603 rate-constant: {A: 1.3e+15, b: -0.586, Ea: 634.0} - equation: CH2F + CHF2 <=> CHFCHF[Z] + HF # Reaction 1604 rate-constant: {A: 3.88e+20, b: -2.35, Ea: 2888.0} - equation: CH2F + CHF2 <=> CH2CF2 + HF # Reaction 1605 rate-constant: {A: 2.23e+20, b: -2.41, Ea: 2910.0} - equation: CH3 + CF3 <=> CH2CF2 + HF # Reaction 1606 rate-constant: {A: 5.53e+19, b: -1.94, Ea: 2440.0} - equation: CHF2 + CHF2 <=> CHFCF2 + HF # Reaction 1607 rate-constant: {A: 2.2e+19, b: -1.95, Ea: 4100.0} - equation: CHF2 + CF3 <=> CF2CF2 + HF # Reaction 1608 rate-constant: {A: 7.0e+16, b: -1.17, Ea: 4330.0} - equation: CH4 + CF2 <=> CH3-CHF2 # Reaction 1609 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 3.9e+04} - equation: CH3 + CH2F <=> CH3-CH2F # Reaction 1610 rate-constant: {A: 1.57e+31, b: -6.27, Ea: 4440.0} - equation: CH2F + CH2F <=> CH2F-CH2F # Reaction 1611 rate-constant: {A: 2.37e+24, b: -3.79, Ea: 2290.0} - equation: CH3 + CHF2 <=> CH3-CHF2 # Reaction 1612 rate-constant: {A: 1.93e+35, b: -7.69, Ea: 5760.0} - equation: CH2F + CHF2 <=> CH2F-CHF2 # Reaction 1613 rate-constant: {A: 9.61e+38, b: -8.36, Ea: 6940.0} - equation: CH3 + CF3 <=> CH3-CF3 # Reaction 1614 rate-constant: {A: 1.78e+33, b: -6.64, Ea: 5020.0} - equation: CHF2 + CHF2 <=> CHF2-CHF2 # Reaction 1615 rate-constant: {A: 2.26e+24, b: -3.5, Ea: 3360.0} - equation: CHF2 + CF3 <=> CHF2-CF3 # Reaction 1616 rate-constant: {A: 2.61e+26, b: -4.16, Ea: 4100.0} - equation: CF3 + CF3 (+M) <=> CF3-CF3 (+M) # Reaction 1617 type: falloff low-P-rate-constant: {A: 2.12e+60, b: -12.51, Ea: 5910.0} high-P-rate-constant: {A: 9.69e+10, b: 0.77, Ea: 0.0} Troe: {A: 0.069, T3: 260.0, T1: 880.0} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, AR: 0.7} - equation: CH2F-CH2 + H <=> CH3-CHF + H # Reaction 1618 rate-constant: {A: 18.7, b: 3.1, Ea: 137.0} - equation: CHF2-CH2 + H <=> CH3-CF2 + H # Reaction 1619 rate-constant: {A: 1.59e-03, b: 4.35, Ea: 157.0} - equation: CH2F-CF2 + H <=> CHF2-CHF + H # Reaction 1620 rate-constant: {A: 0.64, b: 3.53, Ea: 1830.0} - equation: CF3-CF3 + H <=> CF3-CF2 + HF # Reaction 1621 rate-constant: {A: 1.0e+15, b: 0.0, Ea: 3.0e+04} - equation: CH3F + CH2(S) <=> C2H4 + HF # Reaction 1622 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2F2 + CH2(S) <=> CH2CHF + HF # Reaction 1623 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CHF3 + CH2(S) <=> CH2CF2 + HF # Reaction 1624 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CF4 + CH2(S) <=> CHFCF2 + HF # Reaction 1625 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 3.1e+04} - equation: CH4 + CHF <=> C2H4 + HF # Reaction 1626 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CH3F + CHF <=> CH2CHF + HF # Reaction 1627 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CH2F2 + CHF <=> CH2CF2 + HF # Reaction 1628 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CH2F2 + CHF <=> CHFCHF[Z] + HF # Reaction 1629 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CHF3 + CHF <=> CHFCF2 + HF # Reaction 1630 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CF4 + CHF <=> CF2CF2 + HF # Reaction 1631 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 3.1e+04} - equation: CH4 + CF2 <=> CH2CHF + HF # Reaction 1632 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 4.1e+04} - equation: CH3F + CF2 <=> CH2CF2 + HF # Reaction 1633 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 4.1e+04} - equation: CH3F + CF2 <=> CHFCHF[Z] + HF # Reaction 1634 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 4.1e+04} - equation: CH2F2 + CF2 <=> CHFCF2 + HF # Reaction 1635 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.1e+04} - equation: CHF3 + CF2 <=> CF2CF2 + HF # Reaction 1636 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 4.1e+04} - equation: CF4 + CF2 => CF3-CF3 # Reaction 1637 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 5.1e+04} - equation: CH3 + CH2F <=> CH4 + CHF # Reaction 1638 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 3400.0} - equation: CH2F + CH2F <=> CH3F + CHF # Reaction 1639 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 4800.0} - equation: CHF2 + CH2F <=> CH2F2 + CHF # Reaction 1640 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 4400.0} - equation: CF3 + CH2F <=> CHF3 + CHF # Reaction 1641 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 4600.0} - equation: CH2F + CHF2 <=> CH3F + CF2 # Reaction 1642 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 2200.0} - equation: CHF2 + CHF2 <=> CH2F2 + CF2 # Reaction 1643 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1600.0} - equation: CH3-CH2F + H <=> CH2F-CH2 + H2 # Reaction 1644 rate-constant: {A: 5.5e+08, b: 1.6, Ea: 9100.0} - equation: CH3-CH2F + O <=> CH2F-CH2 + OH # Reaction 1645 rate-constant: {A: 2.9e+08, b: 1.6, Ea: 6100.0} - equation: CH3-CH2F + OH <=> CH2F-CH2 + H2O # Reaction 1646 rate-constant: {A: 223.0, b: 3.58, Ea: 1040.0} - equation: CH3-CH2F + H <=> CH3-CHF + H2 # Reaction 1647 rate-constant: {A: 3.3e+08, b: 1.6, Ea: 9100.0} - equation: CH3-CH2F + O <=> CH3-CHF + OH # Reaction 1648 rate-constant: {A: 1.6e+08, b: 1.6, Ea: 6100.0} - equation: CH3-CH2F + OH <=> CH3-CHF + H2O # Reaction 1649 rate-constant: {A: 1.94e+04, b: 2.85, Ea: 250.0} - equation: CH3-CHF2 + H <=> CH3-CF2 + H2 # Reaction 1650 rate-constant: {A: 2.0e+04, b: 2.67, Ea: 6280.0} - equation: CH3-CHF2 + H <=> CHF2-CH2 + H2 # Reaction 1651 rate-constant: {A: 7.47e+04, b: 2.66, Ea: 9720.0} - equation: CH3-CHF2 + O <=> CH3-CF2 + OH # Reaction 1652 rate-constant: {A: 3310.0, b: 2.97, Ea: 5624.0} - equation: CH3-CHF2 + O <=> CHF2-CH2 + OH # Reaction 1653 rate-constant: {A: 783.0, b: 3.32, Ea: 6936.0} - equation: CH3-CHF2 + OH <=> CHF2-CH2 + H2O # Reaction 1654 rate-constant: {A: 3730.0, b: 2.81, Ea: 1696.0} - equation: CH3-CHF2 + OH <=> CH3-CF2 + H2O # Reaction 1655 rate-constant: {A: 3.37e+05, b: 2.11, Ea: 1012.0} - equation: CH3-CHF2 + F <=> CH3-CF2 + HF # Reaction 1656 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 1700.0} - equation: CH3-CHF2 + F <=> CHF2-CH2 + HF # Reaction 1657 rate-constant: {A: 7.7e+13, b: 0.0, Ea: 2700.0} - equation: CH3-CF3 + H <=> CF3-CH2 + H2 # Reaction 1658 rate-constant: {A: 4.0e+10, b: 1.1, Ea: 1.27e+04} - equation: CH3-CF3 + O <=> CF3-CH2 + OH # Reaction 1659 rate-constant: {A: 2.0e+10, b: 1.1, Ea: 9700.0} - equation: CH3-CF3 + OH <=> CF3-CH2 + H2O # Reaction 1660 rate-constant: {A: 4.08e+09, b: 1.1, Ea: 4670.0} - equation: CH2F-CH2F + H <=> CH2F-CHF + H2 # Reaction 1661 rate-constant: {A: 6.0e+08, b: 1.7, Ea: 9600.0} - equation: CH2F-CH2F + O <=> CH2F-CHF + OH # Reaction 1662 rate-constant: {A: 3.0e+08, b: 1.7, Ea: 6600.0} - equation: CH2F-CH2F + OH <=> CH2F-CHF + H2O # Reaction 1663 rate-constant: {A: 6.16e+07, b: 1.7, Ea: 1610.0} - equation: CH2F-CHF2 + H <=> CHF2-CHF + H2 # Reaction 1664 rate-constant: {A: 2.0e+08, b: 1.7, Ea: 9800.0} - equation: CH2F-CHF2 + O <=> CHF2-CHF + OH # Reaction 1665 rate-constant: {A: 1.0e+08, b: 1.7, Ea: 6800.0} - equation: CH2F-CHF2 + OH <=> CHF2-CHF + H2O # Reaction 1666 rate-constant: {A: 2.05e+07, b: 1.7, Ea: 1800.0} - equation: CH2F-CHF2 + H <=> CH2F-CF2 + H2 # Reaction 1667 rate-constant: {A: 1.0e+08, b: 1.7, Ea: 1.1e+04} - equation: CH2F-CHF2 + O <=> CH2F-CF2 + OH # Reaction 1668 rate-constant: {A: 5.0e+07, b: 1.7, Ea: 8000.0} - equation: CH2F-CHF2 + OH <=> CH2F-CF2 + H2O # Reaction 1669 rate-constant: {A: 1.06e+07, b: 1.7, Ea: 3000.0} - equation: CH2F-CF3 + H <=> CF3-CHF + H2 # Reaction 1670 rate-constant: {A: 2.0e+08, b: 1.7, Ea: 1.05e+04} - equation: CH2F-CF3 + O <=> CF3-CHF + OH # Reaction 1671 rate-constant: {A: 1.43e+07, b: 1.7, Ea: 7500.0} - equation: CH2F-CF3 + OH <=> CF3-CHF + H2O # Reaction 1672 rate-constant: {A: 2.1e+07, b: 1.7, Ea: 2524.0} - equation: CHF2-CHF2 + H <=> CHF2-CF2 + H2 # Reaction 1673 rate-constant: {A: 1.6e+07, b: 1.7, Ea: 1.06e+04} - equation: CHF2-CHF2 + O <=> CHF2-CF2 + OH # Reaction 1674 rate-constant: {A: 8.0e+07, b: 1.7, Ea: 7600.0} - equation: CHF2-CHF2 + OH <=> CHF2-CF2 + H2O # Reaction 1675 rate-constant: {A: 1.6e+07, b: 1.7, Ea: 2643.0} - equation: CHF2-CF3 + H <=> CF3-CF2 + H2 # Reaction 1676 rate-constant: {A: 1.4e+07, b: 1.6, Ea: 1.02e+04} - equation: CHF2-CF3 + O <=> CF3-CF2 + OH # Reaction 1677 rate-constant: {A: 7.0e+07, b: 1.6, Ea: 1.27e+04} - equation: CHF2-CF3 + OH <=> CF3-CF2 + H2O # Reaction 1678 rate-constant: {A: 1.4e+07, b: 1.6, Ea: 2246.0} - equation: CH3-CHF + H2O2 <=> CH3-CH2F + HO2 # Reaction 1679 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CH3-CF2 + H2O2 <=> CH3-CHF2 + HO2 # Reaction 1680 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CH2F-CH2 + H2O2 <=> CH3-CH2F + HO2 # Reaction 1681 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CH2F-CHF + H2O2 <=> CH2F-CH2F + HO2 # Reaction 1682 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CH2F-CF2 + H2O2 <=> CH2F-CHF2 + HO2 # Reaction 1683 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CHF2-CH2 + H2O2 <=> CH3-CHF2 + HO2 # Reaction 1684 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CHF2-CHF + H2O2 <=> CH2F-CHF2 + HO2 # Reaction 1685 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CHF2-CF2 + H2O2 <=> CHF2-CHF2 + HO2 # Reaction 1686 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CF3-CH2 + H2O2 <=> CH3-CF3 + HO2 # Reaction 1687 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CF3-CHF + H2O2 <=> CH2F-CF3 + HO2 # Reaction 1688 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CF3-CF2 + H2O2 <=> CHF2-CF3 + HO2 # Reaction 1689 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: CH3-CH2F + CH3 <=> CH2F-CH2 + CH4 # Reaction 1690 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.34e+04} - equation: CH3-CH2F + C2H3 <=> CH2F-CH2 + C2H4 # Reaction 1691 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH3-CH2F + CH3 <=> CH3-CHF + CH4 # Reaction 1692 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 1.0e+04} - equation: CH3-CH2F + C2H3 <=> CH3-CHF + C2H4 # Reaction 1693 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 7000.0} - equation: CH3-CHF2 + CH3 <=> CHF2-CH2 + CH4 # Reaction 1694 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.2e+04} - equation: CH3-CHF2 + C2H3 <=> CHF2-CH2 + C2H4 # Reaction 1695 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 9000.0} - equation: CH3-CHF2 + CH3 <=> CH3-CF2 + CH4 # Reaction 1696 rate-constant: {A: 8.0e+10, b: 0.0, Ea: 1.0e+04} - equation: CH3-CHF2 + C2H3 <=> CH3-CF2 + C2H4 # Reaction 1697 rate-constant: {A: 8.0e+10, b: 0.0, Ea: 7000.0} - equation: CH3-CF3 + CH3 <=> CF3-CH2 + CH4 # Reaction 1698 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.2e+04} - equation: CH3-CF3 + C2H3 <=> CF3-CH2 + C2H4 # Reaction 1699 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 9000.0} - equation: CH2F-CH2F + CH3 <=> CH2F-CHF + CH4 # Reaction 1700 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 1.04e+04} - equation: CH2F-CH2F + C2H3 <=> CH2F-CHF + C2H4 # Reaction 1701 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7000.0} - equation: CH2F-CHF2 + CH3 <=> CHF2-CHF + CH4 # Reaction 1702 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH2F-CHF2 + C2H3 <=> CHF2-CHF + C2H4 # Reaction 1703 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 7000.0} - equation: CH2F-CHF2 + CH3 <=> CH2F-CF2 + CH4 # Reaction 1704 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 9600.0} - equation: CH2F-CHF2 + C2H3 <=> CH2F-CF2 + C2H4 # Reaction 1705 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7000.0} - equation: CH2F-CF3 + CH3 <=> CF3-CHF + CH4 # Reaction 1706 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH2F-CF3 + C2H3 <=> CF3-CHF + C2H4 # Reaction 1707 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 7000.0} - equation: CHF2-CHF2 + CH3 <=> CHF2-CF2 + CH4 # Reaction 1708 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CHF2-CHF2 + C2H3 <=> CHF2-CF2 + C2H4 # Reaction 1709 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7000.0} - equation: CHF2-CF3 + CH3 <=> CF3-CF2 + CH4 # Reaction 1710 rate-constant: {A: 5.7e+10, b: 0.0, Ea: 9500.0} - equation: CHF2-CF3 + C2H3 <=> CF3-CF2 + C2H4 # Reaction 1711 rate-constant: {A: 6.0e+10, b: 0.0, Ea: 7000.0} - equation: CHF2-CF3 + C2H5 <=> CF3-CF2 + C2H6 # Reaction 1712 rate-constant: {A: 5.7e+10, b: 0.0, Ea: 1.18e+04} - equation: CHF2-CF3 + C3H7 <=> CF3-CF2 + C3H8 # Reaction 1713 duplicate: true rate-constant: {A: 5.7e+10, b: 0.0, Ea: 1.03e+04} - equation: CHF2-CF3 + C3H7 <=> CF3-CF2 + C3H8 # Reaction 1714 duplicate: true rate-constant: {A: 5.7e+10, b: 0.0, Ea: 1.35e+04} - equation: CH3-CH2F + CH2F <=> CH2F-CH2 + CH3F # Reaction 1715 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.3e+04} - equation: CH3-CH2F + CH2F <=> CH3-CHF + CH3F # Reaction 1716 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 1.0e+04} - equation: CH3-CHF2 + CH2F <=> CHF2-CH2 + CH3F # Reaction 1717 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.2e+04} - equation: CH3-CHF2 + CH2F <=> CH3-CF2 + CH3F # Reaction 1718 rate-constant: {A: 8.0e+10, b: 0.0, Ea: 1.0e+04} - equation: CH3-CF3 + CH2F <=> CF3-CH2 + CH3F # Reaction 1719 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.2e+04} - equation: CH2F-CH2F + CH2F <=> CH2F-CHF + CH3F # Reaction 1720 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH2F-CHF2 + CH2F <=> CHF2-CHF + CH3F # Reaction 1721 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH2F-CHF2 + CH2F <=> CH2F-CF2 + CH3F # Reaction 1722 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH2F-CF3 + CH2F <=> CF3-CHF + CH3F # Reaction 1723 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CHF2-CHF2 + CH2F <=> CHF2-CF2 + CH3F # Reaction 1724 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 1.1e+04} - equation: CHF2-CF3 + CH2F <=> CF3-CF2 + CH3F # Reaction 1725 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH3-CH2F + CHF2 <=> CH2F-CH2 + CH2F2 # Reaction 1726 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.3e+04} - equation: CH3-CH2F + CHF2 <=> CH3-CHF + CH2F2 # Reaction 1727 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 1.0e+04} - equation: CH3-CHF2 + CHF2 <=> CHF2-CH2 + CH2F2 # Reaction 1728 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.2e+04} - equation: CH3-CHF2 + CHF2 <=> CH3-CF2 + CH2F2 # Reaction 1729 rate-constant: {A: 8.0e+10, b: 0.0, Ea: 1.0e+04} - equation: CH3-CF3 + CHF2 <=> CF3-CH2 + CH2F2 # Reaction 1730 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.2e+04} - equation: CH2F-CH2F + CHF2 <=> CH2F-CHF + CH2F2 # Reaction 1731 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH2F-CHF2 + CHF2 <=> CHF2-CHF + CH2F2 # Reaction 1732 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH2F-CHF2 + CHF2 <=> CH2F-CF2 + CH2F2 # Reaction 1733 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH2F-CF3 + CHF2 <=> CF3-CHF + CH2F2 # Reaction 1734 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CHF2-CHF2 + CHF2 <=> CHF2-CF2 + CH2F2 # Reaction 1735 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CHF2-CF3 + CHF2 <=> CF3-CF2 + CH2F2 # Reaction 1736 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH3-CH2F + CF3 <=> CH2F-CH2 + CHF3 # Reaction 1737 rate-constant: {A: 9.5e+11, b: 0.0, Ea: 8200.0} - equation: CH3-CH2F + CF3 <=> CH3-CHF + CHF3 # Reaction 1738 rate-constant: {A: 9.5e+11, b: 0.0, Ea: 8200.0} - equation: CH3-CHF2 + CF3 <=> CHF2-CH2 + CHF3 # Reaction 1739 rate-constant: {A: 3.1e+10, b: 0.0, Ea: 7100.0} - equation: CH3-CHF2 + CF3 <=> CH3-CF2 + CHF3 # Reaction 1740 rate-constant: {A: 3.1e+10, b: 0.0, Ea: 7100.0} - equation: CH3-CF3 + CF3 <=> CF3-CH2 + CHF3 # Reaction 1741 rate-constant: {A: 1.45e+12, b: 0.0, Ea: 1.35e+04} - equation: CH2F-CH2F + CF3 <=> CH2F-CHF + CHF3 # Reaction 1742 rate-constant: {A: 5.0e+11, b: 0.0, Ea: 7600.0} - equation: CH2F-CHF2 + CF3 <=> CHF2-CHF + CHF3 # Reaction 1743 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7200.0} - equation: CH2F-CHF2 + CF3 <=> CH2F-CF2 + CHF3 # Reaction 1744 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 8000.0} - equation: CH2F-CF3 + CF3 <=> CF3-CHF + CHF3 # Reaction 1745 rate-constant: {A: 6.0e+10, b: 0.0, Ea: 6400.0} - equation: CHF2-CHF2 + CF3 <=> CHF2-CF2 + CHF3 # Reaction 1746 rate-constant: {A: 5.7e+11, b: 0.0, Ea: 1.19e+04} - equation: CHF2-CF3 + CF3 <=> CF3-CF2 + CHF3 # Reaction 1747 rate-constant: {A: 1.4e+11, b: 0.0, Ea: 1.01e+04} - equation: CF3-CF3 + CF3 <=> CF4 + CF3-CF2 # Reaction 1748 rate-constant: {A: 7.1e+11, b: 0.0, Ea: 1.23e+04} - equation: CF3-CHF (+M) <=> CHFCF2 + F (+M) # Reaction 1749 type: falloff low-P-rate-constant: {A: 5.5e+19, b: 0.0, Ea: 7.0e+04} high-P-rate-constant: {A: 4.5e+13, b: 0.0, Ea: 7.0e+04} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CF3-CF2 <=> CF2 + CF3 # Reaction 1750 rate-constant: {A: 4.27e+14, b: 0.0, Ea: 5.624e+04} - equation: CH3-CHF + O2 <=> CH2CHF + HO2 # Reaction 1751 rate-constant: {A: 2.56e+18, b: -2.77, Ea: 1977.0} - equation: CH3-CF2 + O2 <=> CH2CF2 + HO2 # Reaction 1752 rate-constant: {A: 1.23e+17, b: -1.87, Ea: 1400.0} - equation: CH2F-CH2 + O2 <=> CH2CHF + HO2 # Reaction 1753 rate-constant: {A: 2.56e+18, b: -2.77, Ea: 1977.0} - equation: CH2F-CHF + O2 <=> CHFCHF[Z] + HO2 # Reaction 1754 rate-constant: {A: 2.56e+19, b: -2.77, Ea: 1977.0} - equation: CH2F-CF2 + O2 <=> CHFCF2 + HO2 # Reaction 1755 rate-constant: {A: 2.56e+19, b: -2.77, Ea: 1977.0} - equation: CHF2-CH2 + O2 <=> CH2CF2 + HO2 # Reaction 1756 rate-constant: {A: 1.23e+17, b: -1.87, Ea: 1400.0} - equation: CHF2-CHF + O2 <=> CHFCF2 + HO2 # Reaction 1757 rate-constant: {A: 2.56e+19, b: -2.77, Ea: 1977.0} - equation: CHF2-CF2 + O2 <=> CF2CF2 + HO2 # Reaction 1758 rate-constant: {A: 2.56e+19, b: -2.77, Ea: 1977.0} - equation: CF3-CH2 + O2 => CF3 + CH2O + O # Reaction 1759 rate-constant: {A: 1.3e+13, b: 0.0, Ea: 4.4e+04} - equation: CF3-CHF + O2 => CHFO + CF3 + O # Reaction 1760 rate-constant: {A: 1.55e+11, b: 0.0, Ea: 2.3e+04} - equation: CF3-CF2 + O2 => CF3 + CF2O + O # Reaction 1761 rate-constant: {A: 1.3e+13, b: 0.0, Ea: 2.3e+04} - equation: CF3-CHF + O2 <=> CF2CF2 + HO2 # Reaction 1762 rate-constant: {A: 5.5e+08, b: 0.0, Ea: -7800.0} - equation: CH2F-CH2 + O <=> CH2CO + HF + H # Reaction 1763 rate-constant: {A: 6.6e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CH2 + O <=> CHFCO + HF + H # Reaction 1764 rate-constant: {A: 6.6e+13, b: 0.0, Ea: 0.0} - equation: CF3-CH2 + O <=> CF2CO + HF + H # Reaction 1765 rate-constant: {A: 6.6e+13, b: 0.0, Ea: 0.0} - equation: CH3-CHF + O <=> CH2CO + HF + H # Reaction 1766 rate-constant: {A: 4.4e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CHF + O <=> CHFCO + HF + H # Reaction 1767 rate-constant: {A: 4.4e+13, b: 0.0, Ea: 0.0} - equation: CF3-CHF + O <=> CF3 + CHFO # Reaction 1768 rate-constant: {A: 4.4e+13, b: 0.0, Ea: 0.0} - equation: CH3-CF2 + O <=> CH2CO + HF + F # Reaction 1769 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CF2 + O <=> CHFCO + HF + F # Reaction 1770 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CF2 + O <=> CF2CO + HF + F # Reaction 1771 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: CF3-CF2 + O => CF3 + CFO + F # Reaction 1772 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CH2 + O <=> CH2O + CH2F # Reaction 1773 rate-constant: {A: 3.3e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CH2 + O <=> CH2O + CHF2 # Reaction 1774 rate-constant: {A: 3.3e+13, b: 0.0, Ea: 0.0} - equation: CF3-CH2 + O <=> CH2O + CF3 # Reaction 1775 rate-constant: {A: 3.3e+13, b: 0.0, Ea: 0.0} - equation: CH3-CHF + O <=> CHFO + CH3 # Reaction 1776 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CHF + O <=> CHFO + CH2F # Reaction 1777 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CHF + O <=> CHFO + CHF2 # Reaction 1778 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: CH3-CF2 + O <=> CF2O + CH3 # Reaction 1779 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CF2 + O <=> CF2O + CH2F # Reaction 1780 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CF2 + O <=> CF2O + CHF2 # Reaction 1781 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 0.0} - equation: CF3-CF2 + O <=> CF2O + CF3 # Reaction 1782 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CH2 + OH => CH2CO + HF + H2 # Reaction 1783 rate-constant: {A: 6.6e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CH2 + OH => CHFCO + HF + H2 # Reaction 1784 rate-constant: {A: 6.6e+13, b: 0.0, Ea: 0.0} - equation: CF3-CH2 + OH => CF2CO + HF + H2 # Reaction 1785 rate-constant: {A: 6.6e+13, b: 0.0, Ea: 0.0} - equation: CH3-CHF + OH => CH2CO + H2 + HF # Reaction 1786 rate-constant: {A: 4.4e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CHF + OH => CH2CO + HF + HF # Reaction 1787 rate-constant: {A: 4.4e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CHF + OH => CHFCO + HF + HF # Reaction 1788 rate-constant: {A: 4.4e+13, b: 0.0, Ea: 0.0} - equation: CF3-CHF + OH <=> CF3CHO + HF # Reaction 1789 rate-constant: {A: 4.4e+13, b: 0.0, Ea: 0.0} - equation: CH3-CF2 + OH => CH2CO + HF + HF # Reaction 1790 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.0e+04} - equation: CH3-CF2 + OH => CH3 + CFO + HF # Reaction 1791 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.0e+04} - equation: CH2F-CF2 + OH => CHFCO + HF + HF # Reaction 1792 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CF2 + OH => CF2CO + HF + HF # Reaction 1793 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: CF3-CF2 + OH => CF3 + CFO + HF # Reaction 1794 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CH2 + OH <=> CH2CHF + H2O # Reaction 1795 rate-constant: {A: 6.6e+13, b: 0.0, Ea: 3000.0} - equation: CHF2-CH2 + OH <=> CH2CF2 + H2O # Reaction 1796 rate-constant: {A: 4.4e+13, b: 0.0, Ea: 3000.0} - equation: CH3-CHF + OH <=> CH2CHF + H2O # Reaction 1797 rate-constant: {A: 6.6e+13, b: 0.0, Ea: 3000.0} - equation: CH2F-CHF + OH <=> CHFCHF[Z] + H2O # Reaction 1798 rate-constant: {A: 4.4e+13, b: 0.0, Ea: 3000.0} - equation: CHF2-CHF + OH <=> CHFCF2 + H2O # Reaction 1799 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 3000.0} - equation: CH3-CF2 + OH <=> CH2CF2 + H2O # Reaction 1800 rate-constant: {A: 6.6e+13, b: 0.0, Ea: 3000.0} - equation: CH2F-CF2 + OH <=> CHFCF2 + H2O # Reaction 1801 rate-constant: {A: 4.4e+13, b: 0.0, Ea: 3000.0} - equation: CHF2-CF2 + OH <=> CF2CF2 + H2O # Reaction 1802 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 3000.0} - equation: CH2F-CH2 + CH3 <=> CH2CHF + CH4 # Reaction 1803 rate-constant: {A: 1.3e+13, b: -0.5, Ea: 0.0} - equation: CHF2-CH2 + CH3 <=> CH2CF2 + CH4 # Reaction 1804 rate-constant: {A: 6.5e+12, b: -0.5, Ea: 0.0} - equation: CH3-CHF + CH3 <=> CH2CHF + CH4 # Reaction 1805 rate-constant: {A: 1.95e+13, b: -0.5, Ea: 0.0} - equation: CH2F-CHF + CH3 <=> CHFCHF[Z] + CH4 # Reaction 1806 rate-constant: {A: 1.3e+13, b: -0.5, Ea: 0.0} - equation: CHF2-CHF + CH3 <=> CHFCF2 + CH4 # Reaction 1807 rate-constant: {A: 6.5e+12, b: -0.5, Ea: 0.0} - equation: CH3-CF2 + CH3 <=> CH2CF2 + CH4 # Reaction 1808 rate-constant: {A: 1.95e+13, b: -0.5, Ea: 0.0} - equation: CH2F-CF2 + CH3 <=> CHFCF2 + CH4 # Reaction 1809 rate-constant: {A: 1.3e+13, b: -0.5, Ea: 0.0} - equation: CHF2-CF2 + CH3 <=> CF2CF2 + CH4 # Reaction 1810 rate-constant: {A: 6.5e+12, b: -0.5, Ea: 0.0} - equation: CH3-CHF + HO2 => CH3 + CHFO + OH # Reaction 1811 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH3-CF2 + HO2 => CH3 + CF2O + OH # Reaction 1812 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CH2 + HO2 => CH2F + CH2O + OH # Reaction 1813 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CHF + HO2 => CH2F + CHFO + OH # Reaction 1814 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2F-CF2 + HO2 => CH2F + CF2O + OH # Reaction 1815 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CH2 + HO2 => CHF2 + CH2O + OH # Reaction 1816 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CHF + HO2 => CHF2 + CHFO + OH # Reaction 1817 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CHF2-CF2 + HO2 => CHF2 + CF2O + OH # Reaction 1818 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CF3-CH2 + HO2 => CF3 + CH2O + OH # Reaction 1819 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CF3-CHF + HO2 => CF3 + CHFO + OH # Reaction 1820 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CF3-CF2 + HO2 => CF3 + CF2O + OH # Reaction 1821 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH3-CHF + HO2 <=> CH2CHF + H2O2 # Reaction 1822 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CH3-CF2 + HO2 <=> CH2CF2 + H2O2 # Reaction 1823 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CH2F-CH2 + HO2 <=> CH2CHF + H2O2 # Reaction 1824 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 0.0} - equation: CH2F-CHF + HO2 <=> CHFCHF[Z] + H2O2 # Reaction 1825 rate-constant: {A: 4.0e+11, b: 0.0, Ea: 0.0} - equation: CH2F-CF2 + HO2 <=> CHFCF2 + H2O2 # Reaction 1826 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 0.0} - equation: CHF2-CH2 + HO2 <=> CH2CF2 + H2O2 # Reaction 1827 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: CHF2-CHF + HO2 <=> CHFCF2 + H2O2 # Reaction 1828 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: CHF2-CF2 + HO2 <=> CF2CF2 + H2O2 # Reaction 1829 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: CH3-CHF + HO2 <=> CH3-CH2F + O2 # Reaction 1830 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CH3-CF2 + HO2 <=> CH3-CHF2 + O2 # Reaction 1831 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CH2F-CH2 + HO2 <=> CH3-CH2F + O2 # Reaction 1832 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CH2F-CHF + HO2 <=> CH2F-CH2F + O2 # Reaction 1833 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CH2F-CF2 + HO2 <=> CH2F-CHF2 + O2 # Reaction 1834 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CHF2-CH2 + HO2 <=> CH3-CHF2 + O2 # Reaction 1835 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CHF2-CHF + HO2 <=> CH2F-CHF2 + O2 # Reaction 1836 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CHF2-CF2 + HO2 <=> CHF2-CHF2 + O2 # Reaction 1837 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CF3-CH2 + HO2 <=> CH3-CF3 + O2 # Reaction 1838 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CF3-CHF + HO2 <=> CH2F-CF3 + O2 # Reaction 1839 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CF3-CF2 + HO2 <=> CHF2-CF3 + O2 # Reaction 1840 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: CH3-CHF + CH2O <=> CH3-CH2F + HCO # Reaction 1841 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CH3-CF2 + CH2O <=> CH3-CHF2 + HCO # Reaction 1842 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CH2F-CH2 + CH2O <=> CH3-CH2F + HCO # Reaction 1843 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CH2F-CHF + CH2O <=> CH2F-CH2F + HCO # Reaction 1844 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CH2F-CF2 + CH2O <=> CH2F-CHF2 + HCO # Reaction 1845 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CHF2-CH2 + CH2O <=> CH3-CHF2 + HCO # Reaction 1846 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CHF2-CHF + CH2O <=> CH2F-CHF2 + HCO # Reaction 1847 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CHF2-CF2 + CH2O <=> CHF2-CHF2 + HCO # Reaction 1848 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CF3-CH2 + CH2O <=> CH3-CF3 + HCO # Reaction 1849 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CF3-CHF + CH2O <=> CH2F-CF3 + HCO # Reaction 1850 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CF3-CF2 + CH2O <=> CHF2-CF3 + HCO # Reaction 1851 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: CH2CHF <=> C2H2 + HF # Reaction 1852 rate-constant: {A: 2.31e+14, b: 0.0, Ea: 7.13e+04} - equation: CH2CF2 (+M) <=> C2HF + HF (+M) # Reaction 1853 type: falloff low-P-rate-constant: {A: 1.48e+39, b: -12.85, Ea: 8.715e+04} high-P-rate-constant: {A: 5.19e+14, b: 0.0, Ea: 8.64e+04} Troe: {A: 0.917, T3: 1192.0, T1: 39.0, T2: 6181.0} efficiencies: {H2: 2.0, H2O: 6.0, CO: 1.5, CO2: 2.0, HF: 2.0, CH2F2: 2.0, CH3-CHF2: 2.0, CH2F-CF3: 2.0} - equation: CHFCHF[Z] (+M) <=> C2HF + HF (+M) # Reaction 1854 type: falloff low-P-rate-constant: {A: 9.0e+15, b: 1.0, Ea: 7.8e+04} high-P-rate-constant: {A: 2.5e+14, b: 0.0, Ea: 7.8e+04} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CHFCF2 (+M) <=> C2F2 + HF (+M) # Reaction 1855 type: falloff low-P-rate-constant: {A: 1.5e+15, b: 1.0, Ea: 8.0e+04} high-P-rate-constant: {A: 2.0e+14, b: 0.0, Ea: 8.0e+04} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CF2CF2 (+M) <=> CF2 + CF2 (+M) # Reaction 1856 type: falloff low-P-rate-constant: {A: 3.96e+50, b: -9.06, Ea: 8.53e+04} high-P-rate-constant: {A: 5.01e+14, b: 0.0, Ea: 6.807e+04} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CH2(S) + CHF <=> C2H2 + HF # Reaction 1857 rate-constant: {A: 1.702e+20, b: -2.12, Ea: 2380.0} - equation: CH2(S) + CF2 <=> C2HF + HF # Reaction 1858 rate-constant: {A: 1.702e+20, b: -2.12, Ea: 2380.0} - equation: CHF + CHF <=> C2HF + HF # Reaction 1859 rate-constant: {A: 2.7e+13, b: 0.0, Ea: -5000.0} - equation: CHF + CF2 <=> C2F2 + HF # Reaction 1860 rate-constant: {A: 8.51e+19, b: -2.12, Ea: 2380.0} - equation: CH2(S) + CHF <=> CH2CHF # Reaction 1861 rate-constant: {A: 3.1e+24, b: -3.8, Ea: 2830.0} - equation: CH2(S) + CF2 <=> CH2CF2 # Reaction 1862 rate-constant: {A: 3.1e+24, b: -3.8, Ea: 2830.0} - equation: CHF + CHF <=> CHFCHF[Z] # Reaction 1863 rate-constant: {A: 3.1e+24, b: -3.8, Ea: 2830.0} - equation: CHF + CF2 <=> CHFCF2 # Reaction 1864 rate-constant: {A: 3.1e+24, b: -3.8, Ea: 2830.0} - equation: CH2(S) + CHF <=> CH2CF + H # Reaction 1865 rate-constant: {A: 1.64e+07, b: 1.56, Ea: 5740.0} - equation: CH2(S) + CHF <=> CHFCH[Z] + H # Reaction 1866 rate-constant: {A: 1.64e+07, b: 1.56, Ea: 5740.0} - equation: CH2(S) + CF2 <=> CF2CH + H # Reaction 1867 rate-constant: {A: 3.28e+07, b: 1.56, Ea: 5740.0} - equation: CHF + CHF <=> CHFCF[Z] + H # Reaction 1868 rate-constant: {A: 1.64e+07, b: 1.56, Ea: 5740.0} - equation: CHF + CF2 <=> CF2CF + H # Reaction 1869 rate-constant: {A: 1.64e+07, b: 1.56, Ea: 5740.0} - equation: CH2CF + H <=> C2H2 + HF # Reaction 1870 rate-constant: {A: 5.98e+20, b: -2.31, Ea: 1940.0} - equation: CHFCH[Z] + H <=> C2H2 + HF # Reaction 1871 rate-constant: {A: 5.98e+20, b: -2.31, Ea: 1940.0} - equation: CF2CH + H <=> C2HF + HF # Reaction 1872 rate-constant: {A: 2.0e+20, b: -2.31, Ea: 1940.0} - equation: CHFCF[Z] + H <=> C2HF + HF # Reaction 1873 rate-constant: {A: 5.98e+20, b: -2.31, Ea: 1940.0} - equation: CF2CF + H <=> C2F2 + HF # Reaction 1874 rate-constant: {A: 5.98e+20, b: -2.31, Ea: 1940.0} - equation: CH2CF + H <=> CH2CHF # Reaction 1875 rate-constant: {A: 2.4e+34, b: -7.11, Ea: 5040.0} - equation: CHFCH[Z] + H <=> CH2CHF # Reaction 1876 rate-constant: {A: 2.4e+34, b: -7.11, Ea: 5040.0} - equation: CF2CH + H <=> CH2CF2 # Reaction 1877 rate-constant: {A: 2.4e+34, b: -7.11, Ea: 5040.0} - equation: CHFCF[Z] + H <=> CHFCHF[Z] # Reaction 1878 rate-constant: {A: 2.4e+34, b: -7.11, Ea: 5040.0} - equation: CF2CF + H <=> CHFCF2 # Reaction 1879 rate-constant: {A: 2.4e+34, b: -7.11, Ea: 5040.0} - equation: CH2CHF + H (+M) <=> CH2F-CH2 (+M) # Reaction 1880 type: falloff low-P-rate-constant: {A: 3.19e+27, b: -2.8, Ea: -54.0} high-P-rate-constant: {A: 4.2e+08, b: 1.5, Ea: 990.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: CH2CHF + H (+M) <=> CH3-CHF (+M) # Reaction 1881 type: falloff low-P-rate-constant: {A: 3.19e+27, b: -2.8, Ea: -54.0} high-P-rate-constant: {A: 4.2e+08, b: 1.5, Ea: 990.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: CH2CF2 + H (+M) <=> CHF2-CH2 (+M) # Reaction 1882 type: falloff low-P-rate-constant: {A: 3.19e+27, b: -2.8, Ea: -54.0} high-P-rate-constant: {A: 4.2e+08, b: 1.5, Ea: 990.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: CH2CF2 + H (+M) <=> CH3-CF2 (+M) # Reaction 1883 type: falloff low-P-rate-constant: {A: 3.19e+27, b: -2.8, Ea: -54.0} high-P-rate-constant: {A: 4.2e+08, b: 1.5, Ea: 990.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: CHFCHF[Z] + H (+M) <=> CH2F-CHF (+M) # Reaction 1884 type: falloff low-P-rate-constant: {A: 6.37e+27, b: -2.8, Ea: -54.0} high-P-rate-constant: {A: 8.4e+08, b: 1.5, Ea: 990.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: CHFCF2 + H (+M) <=> CHF2-CHF (+M) # Reaction 1885 type: falloff low-P-rate-constant: {A: 3.19e+27, b: -2.8, Ea: -54.0} high-P-rate-constant: {A: 4.2e+08, b: 1.5, Ea: 990.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: CHFCF2 + H (+M) <=> CH2F-CF2 (+M) # Reaction 1886 type: falloff low-P-rate-constant: {A: 3.19e+27, b: -2.8, Ea: -54.0} high-P-rate-constant: {A: 4.2e+08, b: 1.5, Ea: 990.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: CF2CF2 + H (+M) <=> CHF2-CF2 (+M) # Reaction 1887 type: falloff low-P-rate-constant: {A: 6.37e+27, b: -2.8, Ea: -54.0} high-P-rate-constant: {A: 8.4e+08, b: 1.5, Ea: 990.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0} - equation: CH2CHF + H <=> CHFCH[Z] + H2 # Reaction 1888 rate-constant: {A: 3.3e+05, b: 2.53, Ea: 1.43e+04} - equation: CH2CHF + H <=> CH2CF + H2 # Reaction 1889 rate-constant: {A: 3.3e+05, b: 2.53, Ea: 1.43e+04} - equation: CH2CF2 + H <=> CF2CH + H2 # Reaction 1890 rate-constant: {A: 6.7e+05, b: 2.53, Ea: 1.43e+04} - equation: CHFCHF[Z] + H <=> CHFCF[Z] + H2 # Reaction 1891 rate-constant: {A: 3.3e+05, b: 2.53, Ea: 1.43e+04} - equation: CHFCF2 + H <=> CF2CF + H2 # Reaction 1892 rate-constant: {A: 3.3e+05, b: 2.53, Ea: 1.2241e+04} - equation: C2H4 + F <=> CH2CHF + H # Reaction 1893 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CHF + F <=> CH2CF2 + H # Reaction 1894 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: CH2CHF + F <=> CHFCHF[Z] + H # Reaction 1895 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CHFCHF[Z] + F <=> CHFCF2 + H # Reaction 1896 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: CH2CF2 + F <=> CHFCF2 + H # Reaction 1897 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CHFCF2 + F <=> CF2CF2 + H # Reaction 1898 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CH2CHF + F <=> CH2CF + HF # Reaction 1899 rate-constant: {A: 5.7e+13, b: 0.0, Ea: 3000.0} - equation: CH2CHF + F <=> CHFCH[Z] + HF # Reaction 1900 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 4000.0} - equation: CH2CF2 + F <=> CF2CH + HF # Reaction 1901 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 5000.0} - equation: CF2CF2 + F <=> CF3-CF2 # Reaction 1902 rate-constant: {A: 3.15e+13, b: 0.0, Ea: 7770.0} - equation: CH2CHF + O <=> CH2F + HCO # Reaction 1903 rate-constant: {A: 1.75e+09, b: 1.0, Ea: 1310.0} - equation: CHFCHF[Z] + O <=> CH2F + CFO # Reaction 1904 rate-constant: {A: 7.0e+09, b: 1.0, Ea: 1590.0} - equation: CH2CF2 + O <=> CHF2 + HCO # Reaction 1905 rate-constant: {A: 5.5e+08, b: 1.0, Ea: 3700.0} - equation: CH2CF2 + O <=> CF2O + CH2 # Reaction 1906 rate-constant: {A: 1.1e+12, b: 0.0, Ea: 7400.0} - equation: CHFCF2 + O <=> CHF2 + CFO # Reaction 1907 rate-constant: {A: 6.0e+09, b: 1.0, Ea: 1150.0} - equation: CHFCF2 + O <=> CF2 + CHFO # Reaction 1908 rate-constant: {A: 4.8e+06, b: 2.0, Ea: 0.0} - equation: CHFCF2 + O <=> CHF + CF2O # Reaction 1909 rate-constant: {A: 4.8e+06, b: 2.0, Ea: 2000.0} - equation: CF2CF2 + O <=> CF2 + CF2O # Reaction 1910 rate-constant: {A: 1.01e+08, b: 1.48, Ea: 0.0} - equation: CH2CHF + O <=> CH3 + CFO # Reaction 1911 rate-constant: {A: 1.33e+09, b: 1.0, Ea: 2300.0} - equation: CH2CHF + O <=> CH2CO + HF # Reaction 1912 rate-constant: {A: 3.7e+12, b: 0.0, Ea: 2100.0} - equation: CH2CHF + OH <=> CHFCH[Z] + H2O # Reaction 1913 rate-constant: {A: 4.0e+06, b: 2.0, Ea: 2850.0} - equation: CH2CHF + OH <=> CH2CF + H2O # Reaction 1914 rate-constant: {A: 4.0e+06, b: 2.0, Ea: 2850.0} - equation: CH2CHF + OH <=> CHFO + CH3 # Reaction 1915 rate-constant: {A: 1.5e+06, b: 2.0, Ea: 5550.0} - equation: CHFCHF[Z] + OH <=> CHFCF[Z] + H2O # Reaction 1916 rate-constant: {A: 2.0e+06, b: 2.0, Ea: 2850.0} - equation: CH2CF2 + OH <=> CF2CH + H2O # Reaction 1917 rate-constant: {A: 2.0e+06, b: 2.0, Ea: 6100.0} - equation: CHFCF2 + OH <=> CF2CF + H2O # Reaction 1918 rate-constant: {A: 1.0e+06, b: 2.0, Ea: 2850.0} - equation: CHFCF2 + OH <=> CF2O + CH2F # Reaction 1919 rate-constant: {A: 2.0e+06, b: 2.0, Ea: 2850.0} - equation: CHFCF2 + OH <=> CHFO + CHF2 # Reaction 1920 rate-constant: {A: 4.0e+06, b: 2.0, Ea: 2850.0} - equation: CH2CF + O2 <=> CH2O + CFO # Reaction 1921 duplicate: true rate-constant: {A: 1.12e+25, b: -4.55, Ea: 5480.0} - equation: CH2CF + O2 <=> C2HF + HO2 # Reaction 1922 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CHFCH[Z] + O2 <=> CHFO + HCO # Reaction 1923 duplicate: true rate-constant: {A: 1.12e+25, b: -4.55, Ea: 5480.0} - equation: CHFCF[Z] + O2 <=> CHFO + CFO # Reaction 1924 duplicate: true rate-constant: {A: 4.48e+26, b: -4.55, Ea: 5480.0} - equation: CF2CH + O2 <=> CF2O + HCO # Reaction 1925 rate-constant: {A: 5.0e+11, b: 0.0, Ea: 8000.0} - equation: CF2CF + O2 <=> CF2O + CFO # Reaction 1926 duplicate: true rate-constant: {A: 4.48e+26, b: -4.55, Ea: 5480.0} - equation: CH2CF + O2 <=> CH2O + CFO # Reaction 1927 duplicate: true rate-constant: {A: 1.05e+38, b: -8.22, Ea: 7030.0} - equation: CHFCH[Z] + O2 <=> CHFO + HCO # Reaction 1928 duplicate: true rate-constant: {A: 1.05e+38, b: -8.22, Ea: 7030.0} - equation: CHFCF[Z] + O2 <=> CHFO + CFO # Reaction 1929 duplicate: true rate-constant: {A: 1.05e+38, b: -8.22, Ea: 7030.0} - equation: CF2CF + O2 <=> CF2O + CFO # Reaction 1930 duplicate: true rate-constant: {A: 1.05e+38, b: -8.22, Ea: 7030.0} - equation: CH2CF + O <=> CH2CO + F # Reaction 1931 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: CHFCH[Z] + O <=> CHFCO + H # Reaction 1932 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: CHFCF[Z] + O <=> CHFCO + F # Reaction 1933 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CF2CH + O <=> CF2CO + H # Reaction 1934 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CF2CF + O <=> CF2CO + F # Reaction 1935 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CF + OH <=> CH2CO + HF # Reaction 1936 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CHFCH[Z] + OH <=> CH2CO + HF # Reaction 1937 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CHFCF[Z] + OH <=> CHFCO + HF # Reaction 1938 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CF2CF + OH <=> CF2CO + HF # Reaction 1939 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CF + OH <=> CH3 + CFO # Reaction 1940 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CHFCH[Z] + OH <=> CH2F + HCO # Reaction 1941 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CHFCF[Z] + OH <=> CH2F + CFO # Reaction 1942 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CF2CF + OH <=> CHF2 + CFO # Reaction 1943 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CF + CF <=> C2F2 # Reaction 1944 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C2HF + H (+M) <=> CH2CF (+M) # Reaction 1945 type: falloff low-P-rate-constant: {A: 1.33e+27, b: -3.5, Ea: 2410.0} high-P-rate-constant: {A: 2.8e+12, b: 0.0, Ea: 2410.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: C2HF + H (+M) <=> CHFCH[Z] (+M) # Reaction 1946 type: falloff low-P-rate-constant: {A: 6.7e+26, b: -3.5, Ea: 2410.0} high-P-rate-constant: {A: 1.4e+12, b: 0.0, Ea: 2410.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: C2F2 + H (+M) <=> CHFCF[Z] (+M) # Reaction 1947 type: falloff low-P-rate-constant: {A: 1.33e+27, b: -3.5, Ea: 2410.0} high-P-rate-constant: {A: 2.8e+12, b: 0.0, Ea: 2410.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: C2HF + F (+M) <=> CF2CH (+M) # Reaction 1948 type: falloff low-P-rate-constant: {A: 4.0e+27, b: -3.5, Ea: 2410.0} high-P-rate-constant: {A: 8.4e+12, b: 0.0, Ea: 2410.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: C2HF + F (+M) <=> CHFCF[Z] (+M) # Reaction 1949 type: falloff low-P-rate-constant: {A: 4.0e+27, b: -3.5, Ea: 2410.0} high-P-rate-constant: {A: 8.4e+12, b: 0.0, Ea: 2410.0} efficiencies: {H2: 2.0, CO: 2.0, CO2: 3.0, H2O: 5.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: C2HF + O <=> CFCO + H # Reaction 1950 rate-constant: {A: 2.25e+12, b: 0.0, Ea: 4530.0} - equation: C2HF + O <=> CO + CHF # Reaction 1951 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 2000.0} - equation: C2F2 + O <=> CFCO + F # Reaction 1952 rate-constant: {A: 1.0e+07, b: 2.0, Ea: 1900.0} - equation: C2HF + OH <=> CHFCO + H # Reaction 1953 rate-constant: {A: 2.18e-04, b: 4.5, Ea: -1000.0} - equation: C2HF + OH <=> CH2F + CO # Reaction 1954 rate-constant: {A: 2.5e-04, b: 4.0, Ea: -2000.0} - equation: C2HF + OH <=> HCCO + HF # Reaction 1955 rate-constant: {A: 2.5e-04, b: 4.0, Ea: -2000.0} - equation: C2F2 + OH <=> CF2CO + H # Reaction 1956 rate-constant: {A: 2.18e-04, b: 4.5, Ea: -1000.0} - equation: C2F2 + OH <=> CFCO + HF # Reaction 1957 rate-constant: {A: 2.5e-04, b: 4.0, Ea: -2000.0} - equation: CH2F + CH2 <=> CH2CHF + H # Reaction 1958 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH2F + CH2 <=> C2H4 + F # Reaction 1959 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CHF2 + CH2 <=> CH2CF2 + H # Reaction 1960 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CHF2 + CH2 <=> CH2CHF + F # Reaction 1961 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CF3 + CH2 <=> CH2CF2 + F # Reaction 1962 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH2F + CH2(S) <=> CH2CHF + H # Reaction 1963 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: CH2F + CH2(S) <=> C2H4 + F # Reaction 1964 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: CHF2 + CH2(S) <=> CH2CF2 + H # Reaction 1965 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: CHF2 + CH2(S) <=> CH2CHF + F # Reaction 1966 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: CF3 + CH2(S) <=> CH2CF2 + F # Reaction 1967 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: CH3 + CHF <=> CH2CHF + H # Reaction 1968 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: CH2F + CHF <=> CHFCHF[Z] + H # Reaction 1969 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: CH2F + CHF <=> CH2CHF + F # Reaction 1970 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: CHF2 + CHF <=> CHFCF2 + H # Reaction 1971 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: CHF2 + CHF <=> CHFCHF[Z] + F # Reaction 1972 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: CF3 + CHF <=> CHFCF2 + F # Reaction 1973 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: CH3 + CF2 <=> CH2CF2 + H # Reaction 1974 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 3500.0} - equation: CH2F + CF2 <=> CH2CF2 + F # Reaction 1975 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 3500.0} - equation: CH2F + CF2 <=> CHFCF2 + H # Reaction 1976 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 3500.0} - equation: CHF2 + CF2 <=> CF2CF2 + H # Reaction 1977 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 2.0e+04} - equation: CHF2 + CF2 <=> CHFCF2 + F # Reaction 1978 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 8500.0} - equation: CHFCO + H <=> CH2F + CO # Reaction 1979 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3428.0} - equation: CHFCO + H <=> CFCO + H2 # Reaction 1980 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 8000.0} - equation: CF2CO + H <=> CHF2 + CO # Reaction 1981 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3428.0} - equation: CHFCO + O <=> CHFO + CO # Reaction 1982 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 8000.0} - equation: CF2CO + O <=> CF2O + CO # Reaction 1983 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 8000.0} - equation: CHFCO + OH <=> CFCO + H2O # Reaction 1984 rate-constant: {A: 7.5e+12, b: 0.0, Ea: 2000.0} - equation: CFCO + H <=> CHF + CO # Reaction 1985 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CFCO + O <=> CFO + CO # Reaction 1986 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: HCCO + F <=> CHF + CO # Reaction 1987 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: CFCO + F <=> CF2 + CO # Reaction 1988 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH4 + F <=> CH3 + HF # Reaction 1989 rate-constant: {A: 5.9e+12, b: 0.5, Ea: 450.0} - equation: CH3F + F <=> CH2F + HF # Reaction 1990 rate-constant: {A: 1.35e+14, b: 0.0, Ea: 1200.0} - equation: CH2F2 + F <=> CHF2 + HF # Reaction 1991 rate-constant: {A: 3.1e+07, b: 2.1, Ea: 30.0} - equation: CHF3 + F <=> CF3 + HF # Reaction 1992 rate-constant: {A: 9000.0, b: 2.69, Ea: 990.0} - equation: CH3OH + F <=> CH3O + HF # Reaction 1993 rate-constant: {A: 2.62e+09, b: 1.44, Ea: -205.0} - equation: CH3OH + F <=> CH2OH + HF # Reaction 1994 rate-constant: {A: 4.62e+07, b: 1.97, Ea: -300.0} - equation: CH2O + F <=> HCO + HF # Reaction 1995 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 2000.0} - equation: CHFO + F <=> CFO + HF # Reaction 1996 rate-constant: {A: 2.65e+13, b: 0.0, Ea: 1800.0} - equation: CH3O + F <=> CH2O + HF # Reaction 1997 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + F <=> CO + HF # Reaction 1998 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C2H6 + F <=> C2H5 + HF # Reaction 1999 rate-constant: {A: 8.0e+12, b: 0.0, Ea: 300.0} - equation: CH3-CH2F + F <=> CH2F-CH2 + HF # Reaction 2000 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 800.0} - equation: CH3-CF3 + F <=> CF3-CH2 + HF # Reaction 2001 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 4000.0} - equation: CH3-CH2F + F <=> CH3-CHF + HF # Reaction 2002 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 200.0} - equation: CH2F-CH2F + F <=> CH2F-CHF + HF # Reaction 2003 rate-constant: {A: 1.3e+14, b: 0.0, Ea: 800.0} - equation: CH2F-CHF2 + F <=> CHF2-CHF + HF # Reaction 2004 rate-constant: {A: 1.3e+14, b: 0.0, Ea: 800.0} - equation: CH2F-CF3 + F <=> CF3-CHF + HF # Reaction 2005 rate-constant: {A: 1.6e+13, b: 0.0, Ea: 4500.0} - equation: CH2F-CHF2 + F <=> CH2F-CF2 + HF # Reaction 2006 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 1200.0} - equation: CHF2-CHF2 + F <=> CHF2-CF2 + HF # Reaction 2007 rate-constant: {A: 1.25e+05, b: 2.49, Ea: 790.0} - equation: CHF2-CF3 + F <=> CF3-CF2 + HF # Reaction 2008 rate-constant: {A: 7110.0, b: 2.72, Ea: -910.0} - equation: CF3-CF2 + F <=> CF3 + CF3 # Reaction 2009 rate-constant: {A: 3.16e+13, b: 0.0, Ea: 0.0} - equation: C2H4 + F <=> C2H3 + HF # Reaction 2010 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 2000.0} - equation: CF2CF2 + F <=> CF3 + CF2 # Reaction 2011 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: C2H3 + F <=> C2H2 + HF # Reaction 2012 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CHFCF[Z] + F <=> CHF + CF2 # Reaction 2013 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CF2CF + F <=> CF2 + CF2 # Reaction 2014 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CO (+M) <=> CF3 + CO (+M) # Reaction 2015 type: falloff low-P-rate-constant: {A: 2.05e+16, b: 0.0, Ea: 9200.0} high-P-rate-constant: {A: 2.65e+14, b: 0.0, Ea: 1.2e+04} Troe: {A: 1.0, T3: 100.0, T1: 520.0} - equation: CF3CO + F <=> CF3 + CFO # Reaction 2016 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0} - equation: CF3CO + F <=> CF4 + CO # Reaction 2017 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CF3CHO + H <=> CF3CO + H2 # Reaction 2018 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 4200.0} - equation: CF3CHO + OH <=> CF3CO + H2O # Reaction 2019 rate-constant: {A: 7.0e+12, b: 0.0, Ea: 1410.0} - equation: CF3CHO + O <=> CF3CO + OH # Reaction 2020 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: CF3CHO + CH3 <=> CF3CO + CH4 # Reaction 2021 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7400.0} - equation: CF3CHO + CF3 <=> CHF3 + CF3CO # Reaction 2022 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 8400.0} - equation: CF3CHO (+M) <=> CF2CO + HF (+M) # Reaction 2023 type: falloff low-P-rate-constant: {A: 8.75e+17, b: 0.0, Ea: 8.5e+04} high-P-rate-constant: {A: 1.0e+13, b: 0.0, Ea: 8.5e+04} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CF3CHO + F <=> CF3CO + HF # Reaction 2024 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 1000.0} - equation: CF3CHO (+M) <=> CF3 + HCO (+M) # Reaction 2025 type: falloff low-P-rate-constant: {A: 3.5e+21, b: 0.0, Ea: 8.0e+04} high-P-rate-constant: {A: 4.0e+16, b: 0.0, Ea: 8.0e+04} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CF3COF + H <=> CF3CO + HF # Reaction 2026 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3000.0} - equation: CF3COF (+M) <=> CF3 + CFO (+M) # Reaction 2027 type: falloff low-P-rate-constant: {A: 3.76e+21, b: 0.0, Ea: 9.0e+04} high-P-rate-constant: {A: 4.3e+16, b: 0.0, Ea: 9.0e+04} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0} - equation: CF3COF + CF3 <=> CF3CO + CF4 # Reaction 2028 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 9000.0} - equation: CF3COF + CF3-CF2 <=> CF3CO + CF3-CF3 # Reaction 2029 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 1.4e+04} - equation: CF3COF + F <=> CF3 + CF2O # Reaction 2030 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 4500.0} - equation: CF3COF + O <=> CF3O + CFO # Reaction 2031 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 9500.0} - equation: F + F + M <=> F2 + M # Reaction 2032 type: three-body rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: F2 + H <=> F + HF # Reaction 2033 rate-constant: {A: 2.9e+09, b: 1.4, Ea: 1330.0} - equation: F2 + CF3 <=> CF4 + F # Reaction 2034 rate-constant: {A: 2.65e+12, b: 0.0, Ea: 2500.0} - equation: CH3 + F2 <=> CH3F + F # Reaction 2035 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 1100.0} - equation: CF2 + F2 <=> CF3 + F # Reaction 2036 rate-constant: {A: 1.2e+12, b: 0.0, Ea: 3000.0} - equation: CFO + F2 <=> CF2O + F # Reaction 2037 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: H2 + F2 <=> HF + F + H # Reaction 2038 rate-constant: {A: 3.44e+12, b: 0.0, Ea: 1.979e+04} - equation: F2 + CO <=> CFO + F # Reaction 2039 rate-constant: {A: 4.7e+11, b: 0.0, Ea: 1.35e+04} - equation: C + F2 <=> CF + F # Reaction 2040 rate-constant: {A: 1.7e+12, b: 0.0, Ea: 1500.0} - equation: CF + F2 <=> CF2 + F # Reaction 2041 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 0.0} - equation: C2H4 + F2 <=> CH2F-CH2 + F # Reaction 2042 rate-constant: {A: 4.8e+10, b: 0.0, Ea: 4590.0} - equation: CH4 + F2 <=> CH3 + HF + F # Reaction 2043 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.123e+04} - equation: OH + F2 <=> HF + F + O # Reaction 2044 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 9000.0} - equation: CF3CHCH2 + OH <=> CF3COCH3 + H # Reaction 2045 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 4780.0} - equation: CF3CHCH2 + H <=> C2H4 + CF3 # Reaction 2046 rate-constant: {A: 7.0e+12, b: 0.0, Ea: 9100.0} - equation: CF3CHCH2 + H <=> CF3CCH2 + H2 # Reaction 2047 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 1.4e+04} - equation: CF3CHCH2 + H <=> CF3CHCH + H2 # Reaction 2048 rate-constant: {A: 4.3e+13, b: 0.0, Ea: 1.4e+04} - equation: CF3CHCH2 + O <=> CH3CO + CF3 # Reaction 2049 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 4000.0} - equation: CF3CHCH2 + OH <=> CH3CHO + CF3 # Reaction 2050 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1500.0} - equation: CF3CHCH2 + CH3 <=> C3H6 + CF3 # Reaction 2051 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.185e+04} - equation: CF3CHCH2 + F <=> HF + CF3CCH2 # Reaction 2052 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 5000.0} - equation: CF3CHCH2 + F <=> HF + CF3CHCH # Reaction 2053 rate-constant: {A: 2.7e+13, b: 0.0, Ea: 5000.0} - equation: CF3CHCH2 + F <=> CF4 + C2H3 # Reaction 2054 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 6000.0} - equation: CF3CHCH2 + F <=> CF3 + CH2CHF # Reaction 2055 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 8000.0} - equation: CF3CHCH2 + CF3 <=> CHF3 + CF3CCH2 # Reaction 2056 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 1.25e+04} - equation: CF3CHCH2 + CF3 <=> CHF3 + CF3CHCH # Reaction 2057 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 1.5e+04} - equation: CF3CHCH2 + CF3 <=> CF3-CF3 + C2H3 # Reaction 2058 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.55e+04} - equation: CF3CHCH2 <=> CF3 + C2H3 # Reaction 2059 rate-constant: {A: 8.0e+16, b: 0.0, Ea: 1.09e+05} - equation: CF3CHCH2 <=> CF3CCH + H2 # Reaction 2060 rate-constant: {A: 9.7e+13, b: 0.0, Ea: 6.75e+04} - equation: CF3CHCH2 <=> CHF3 + C2H2 # Reaction 2061 rate-constant: {A: 9.21e+13, b: 0.0, Ea: 7.1e+04} - equation: CF3CHCH2 <=> CF2 + CH2CHF # Reaction 2062 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 7.7e+04} - equation: CF3CCH + H <=> CF3CCH2 # Reaction 2063 rate-constant: {A: 6.0e+14, b: 0.0, Ea: 4780.0} - equation: CF3CCH + H <=> CF3CHCH # Reaction 2064 rate-constant: {A: 4.0e+14, b: 0.0, Ea: 4780.0} - equation: CF3CCH2 <=> C2H2 + CF3 # Reaction 2065 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3.7e+04} - equation: CF3CHCH <=> C2H2 + CF3 # Reaction 2066 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3.7e+04} - equation: CF3CCH2 + O2 <=> CF3CCH + HO2 # Reaction 2067 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 2.39e+04} - equation: CF3CCH2 + H <=> C2H3 + CF3 # Reaction 2068 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 4780.0} - equation: CF3CCH2 + H <=> CF3CCH + H2 # Reaction 2069 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CHCH + O2 <=> CF3CCH + HO2 # Reaction 2070 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2.39e+04} - equation: CF3CHCH + H <=> C2H3 + CF3 # Reaction 2071 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4780.0} - equation: CF3CHCH + H <=> CF3CCH + H2 # Reaction 2072 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CCH2 + O <=> CH2CO + CF3 # Reaction 2073 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CCH2 + O <=> CF3CCH + OH # Reaction 2074 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 2390.0} - equation: CF3CCH2 + OH <=> CH2CO + CF3 + H # Reaction 2075 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 9560.0} - equation: CF3CCH2 + OH <=> CF3CCH + H2O # Reaction 2076 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 4780.0} - equation: CF3CCH2 + CH3 <=> CH3CCH2 + CF3 # Reaction 2077 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 4780.0} - equation: CF3CCH2 + CH3 <=> CF3CCH + CH4 # Reaction 2078 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CHCH + O <=> CH2CO + CF3 # Reaction 2079 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CHCH + O <=> CF3CCH + OH # Reaction 2080 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 2390.0} - equation: CF3CHCH + OH <=> CF3CCH + H2O # Reaction 2081 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 4780.0} - equation: CF3CHCH + CH3 <=> CH3CCH2 + CF3 # Reaction 2082 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 4780.0} - equation: CF3CHCH + CH3 <=> CF3CCH + CH4 # Reaction 2083 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CCH2 + F <=> CF3CCH + HF # Reaction 2084 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CCH2 + CF2 <=> CHF2 + CF3CCH # Reaction 2085 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 3500.0} - equation: CF3CCH2 + CF3 <=> CHF3 + CF3CCH # Reaction 2086 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CHCH + F <=> CF3CCH + HF # Reaction 2087 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CHCH + CF2 <=> CHF2 + CF3CCH # Reaction 2088 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 3500.0} - equation: CF3CHCH + CF3 <=> CHF3 + CF3CCH # Reaction 2089 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CCH + H <=> C2H2 + CF3 # Reaction 2090 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 9560.0} - equation: CF3CCH + O <=> HCCO + CF3 # Reaction 2091 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 1500.0} - equation: CF3CCH + OH <=> CH2CO + CF3 # Reaction 2092 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 3300.0} - equation: CH3CO + CF3 <=> CF3COCH3 # Reaction 2093 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + CF3 <=> CH2CO + CHF3 # Reaction 2094 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + F <=> CH2CO + HF # Reaction 2095 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + CF3 <=> CO + CH3 + CF3 # Reaction 2096 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 9560.0} - equation: CF3COCH3 + CF3 <=> CH2CO + CHF3 + CF3 # Reaction 2097 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 2.15e+04} - equation: CF3COCH3 + H <=> CH2CO + H2 + CF3 # Reaction 2098 rate-constant: {A: 6.0e+14, b: 0.0, Ea: 2.39e+04} - equation: CF3COCH3 + OH <=> CH2CO + H2O + CF3 # Reaction 2099 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 3585.0} - equation: CF3COCH3 + F <=> HF + CH2CO + CF3 # Reaction 2100 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.0e+04} - equation: CF3CCH + F <=> CF3 + C2HF # Reaction 2101 rate-constant: {A: 7.0e+12, b: 0.0, Ea: 1.25e+04} - equation: CF3CCH + CF2 <=> CF2CF2 + C2HF # Reaction 2102 rate-constant: {A: 5.0e+11, b: 0.0, Ea: 5.0e+04} - equation: CF3CCH + CF3 <=> CF2CF2 + CF2CH # Reaction 2103 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 6.0e+04} - equation: CF3CCH + O <=> CO + CHFCF2 # Reaction 2104 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 1500.0} - equation: CHFCCF3 <=> CF3 + C2HF # Reaction 2105 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 5.4e+04} - equation: C3H8 + F <=> C3H7 + HF # Reaction 2106 duplicate: true rate-constant: {A: 3.5e+13, b: 0.0, Ea: 0.0} - equation: C3H8 + F <=> C3H7 + HF # Reaction 2107 duplicate: true rate-constant: {A: 4.1e+13, b: 0.0, Ea: 0.0} - equation: C3H8 + CF3 <=> C3H7 + CHF3 # Reaction 2108 duplicate: true rate-constant: {A: 5.4e+11, b: 0.0, Ea: 8540.0} - equation: C3H8 + CF3 <=> C3H7 + CHF3 # Reaction 2109 duplicate: true rate-constant: {A: 1.8e+11, b: 0.0, Ea: 6520.0} - equation: C3H8 + CF3-CF2 <=> C3H7 + CHF2-CF3 # Reaction 2110 duplicate: true rate-constant: {A: 3.9e+11, b: 0.0, Ea: 7800.0} - equation: C3H8 + CF3-CF2 <=> C3H7 + CHF2-CF3 # Reaction 2111 duplicate: true rate-constant: {A: 3.3e+11, b: 0.0, Ea: 6100.0} - equation: CHFCHCF3 <=> HF + CF3CCH # Reaction 2112 rate-constant: {A: 4.72e+52, b: -10.897, Ea: 1.0287e+05} - equation: CHFCHCF3 <=> CF3 + CHFCH[Z] # Reaction 2113 rate-constant: {A: 5.0e+15, b: 0.0, Ea: 1.16e+05} - equation: CHFCHCF3 + O2 <=> CFCHCF3 + HO2 # Reaction 2114 rate-constant: {A: 4.02e+12, b: 0.0, Ea: 5.764e+04} - equation: CHFCHCF3 + O2 <=> CHFCCF3 + HO2 # Reaction 2115 rate-constant: {A: 3.02e+12, b: 0.0, Ea: 5.764e+04} - equation: CHFCCF3 + H <=> CHFCHCF3 # Reaction 2116 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CFCHCF3 + H <=> CHFCHCF3 # Reaction 2117 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CHFCHCF3 + H <=> CFCHCF3 + H2 # Reaction 2118 rate-constant: {A: 3.5e+13, b: 0.0, Ea: 1.6e+04} - equation: CHFCHCF3 + H <=> CHFCCF3 + H2 # Reaction 2119 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 1.8e+04} - equation: CHFCHCF3 + H <=> CF3 + CH2CHF # Reaction 2120 rate-constant: {A: 9.0e+12, b: 0.0, Ea: 5000.0} - equation: CHFCHCF3 + O <=> CFCHCF3 + OH # Reaction 2121 rate-constant: {A: 1.2e+12, b: 0.7, Ea: 1.5e+04} - equation: CHFCHCF3 + O <=> CHFCCF3 + OH # Reaction 2122 rate-constant: {A: 1.0e+12, b: 0.7, Ea: 1.7e+04} - equation: CHFCHCF3 + O <=> CF3 + CH2F + CO # Reaction 2123 rate-constant: {A: 3.25e+06, b: 1.83, Ea: 0.0} - equation: CHFCHCF3 + O <=> CFO + CF3-CH2 # Reaction 2124 rate-constant: {A: 1.3e+07, b: 1.83, Ea: 0.0} - equation: CHFCHCF3 + OH <=> CFCHCF3 + H2O # Reaction 2125 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 7500.0} - equation: CHFCHCF3 + OH <=> CHFCCF3 + H2O # Reaction 2126 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 9000.0} - equation: CHFCHCF3 + OH <=> CHFO + CF3-CH2 # Reaction 2127 rate-constant: {A: 3.75e+11, b: 0.0, Ea: 240.0} - equation: CHFCHCF3 + F <=> HF + CFCHCF3 # Reaction 2128 rate-constant: {A: 9.3e+13, b: 0.0, Ea: 4500.0} - equation: CHFCHCF3 + F <=> HF + CHFCCF3 # Reaction 2129 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 7500.0} - equation: CHFCHCF3 + F <=> CF3 + CH2CF2 # Reaction 2130 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 8200.0} - equation: CHFCHCF3 + F <=> CF3 + CHFCHF[Z] # Reaction 2131 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 9000.0} - equation: CHFCHCF3 + CF3 <=> CHF3 + CFCHCF3 # Reaction 2132 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.7e+04} - equation: CHFCHCF3 + CF3 <=> CHF3 + CHFCCF3 # Reaction 2133 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.5e+04} - equation: CFCHCF3 <=> CF3 + C2HF # Reaction 2134 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 5.5e+04} - equation: CHFCCF3 + O2 <=> HO2 + CFCCF3 # Reaction 2135 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 1.7e+04} - equation: CFCHCF3 + O2 <=> HO2 + CFCCF3 # Reaction 2136 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 1.85e+04} - equation: CHFCCF3 + H <=> CF3 + CHFCH[Z] # Reaction 2137 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 8000.0} - equation: CFCHCF3 + H <=> CF3 + CH2CF # Reaction 2138 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 8000.0} - equation: CHFCCF3 + H <=> H2 + CFCCF3 # Reaction 2139 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3000.0} - equation: CHFCCF3 + H <=> HF + CF3CCH # Reaction 2140 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 2000.0} - equation: CFCHCF3 + H <=> H2 + CFCCF3 # Reaction 2141 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3000.0} - equation: CFCHCF3 + H <=> HF + CF3CCH # Reaction 2142 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 2000.0} - equation: CHFCCF3 + OH <=> H2O + CFCCF3 # Reaction 2143 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CFCHCF3 + OH <=> H2O + CFCCF3 # Reaction 2144 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CHFCCF3 + OH <=> CF3 + CH2CFO # Reaction 2145 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 3000.0} - equation: CFCHCF3 + OH <=> CF3 + CH2CFO # Reaction 2146 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 4000.0} - equation: CHFCCF3 + CH3 <=> CH4 + CFCCF3 # Reaction 2147 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 2000.0} - equation: CFCHCF3 + CH3 <=> CH4 + CFCCF3 # Reaction 2148 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 3000.0} - equation: CHFCCF3 + CF3 <=> CHF3 + CFCCF3 # Reaction 2149 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 1000.0} - equation: CFCHCF3 + CF3 <=> CHF3 + CFCCF3 # Reaction 2150 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 2000.0} - equation: CHFCCF3 + CF2 <=> CHF2 + CFCCF3 # Reaction 2151 rate-constant: {A: 8.0e+12, b: 0.0, Ea: 7000.0} - equation: CFCHCF3 + CF2 <=> CHF2 + CFCCF3 # Reaction 2152 rate-constant: {A: 7.0e+12, b: 0.0, Ea: 7000.0} - equation: CHFCCF3 + F <=> HF + CFCCF3 # Reaction 2153 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1000.0} - equation: CFCHCF3 + F <=> HF + CFCCF3 # Reaction 2154 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1000.0} - equation: CHFCCF3 + F <=> CF3 + CHFCF[Z] # Reaction 2155 rate-constant: {A: 3.5e+12, b: 0.0, Ea: 9000.0} - equation: CFCHCF3 + F <=> CF3 + CHFCF[Z] # Reaction 2156 rate-constant: {A: 3.5e+12, b: 0.0, Ea: 1.0e+04} - equation: CH2CFO (+M) <=> CH2F + CO (+M) # Reaction 2157 type: falloff low-P-rate-constant: {A: 2.0e+16, b: 0.0, Ea: 3.0e+04} high-P-rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3.0e+04} Troe: {A: 1.0, T3: 100.0, T1: 520.0} - equation: CH2CFO + H <=> CH3 + CFO # Reaction 2158 rate-constant: {A: 8.0e+12, b: 0.0, Ea: 1.1e+04} - equation: CH2CFO + F <=> CH2F + CFO # Reaction 2159 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 9000.0} - equation: CH2CFO + CF3 <=> CF3-CH2 + CFO # Reaction 2160 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 8000.0} - equation: CH2CFCF3 (+M) => CF3 + CH2CF (+M) # Reaction 2161 type: falloff low-P-rate-constant: {A: 5.4e+18, b: 0.0, Ea: 1.087e+05} high-P-rate-constant: {A: 5.0e+16, b: 0.0, Ea: 1.07e+05} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, HF: 2.0, CF2O: 5.0, CF4: 6.0, CH2CFCF3: 10.0} - equation: CH2CFCF3 <=> CF3CCH + HF # Reaction 2162 rate-constant: {A: 1.1e+44, b: -8.492, Ea: 9.9304e+04} - equation: CF3CCH2 + F <=> CH2CFCF3 # Reaction 2163 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CF3CHCH + F <=> CHFCHCF3 # Reaction 2164 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH-CFCF3 + H <=> CH2CFCF3 # Reaction 2165 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH2CFCF3 + O2 <=> CH-CFCF3 + HO2 # Reaction 2166 rate-constant: {A: 6.02e+12, b: 0.0, Ea: 5.764e+04} - equation: CH2CFCF3 + H <=> CH-CFCF3 + H2 # Reaction 2167 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 1.6e+04} - equation: CH2CFCF3 + H <=> CH2CHF + CF3 # Reaction 2168 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 5000.0} - equation: CH2CFCF3 + OH <=> CH-CFCF3 + H2O # Reaction 2169 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 6800.0} - equation: CH2CFCF3 + OH <=> CH3 + CF3COF # Reaction 2170 rate-constant: {A: 7.5e+11, b: 0.0, Ea: 240.0} - equation: CH2CFCF3 + O <=> CH-CFCF3 + OH # Reaction 2171 rate-constant: {A: 6.0e+11, b: 0.7, Ea: 1.5e+04} - equation: CH2CFCF3 + O <=> CF3-CHF + HCO # Reaction 2172 rate-constant: {A: 3.25e+06, b: 1.83, Ea: 0.0} - equation: CH2CFCF3 + O <=> CH2F + CO + CF3 # Reaction 2173 rate-constant: {A: 1.7e+06, b: 1.83, Ea: 0.0} - equation: CH2CFCF3 + CF3 <=> CH-CFCF3 + CHF3 # Reaction 2174 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 2.2e+04} - equation: CH2CFCF3 + CH3 <=> CH-CFCF3 + CH4 # Reaction 2175 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2.0e+04} - equation: CH2CFCF3 + F <=> CH-CFCF3 + HF # Reaction 2176 rate-constant: {A: 6.7e+13, b: 0.0, Ea: 5400.0} - equation: CH2CFCF3 + F <=> CH2CF2 + CF3 # Reaction 2177 rate-constant: {A: 1.2e+12, b: 0.0, Ea: 8300.0} - equation: CH2CFCF3 + F <=> CHFCHF[Z] + CF3 # Reaction 2178 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 8000.0} - equation: CH-CFCF3 <=> CF3CCH + F # Reaction 2179 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 5.7e+04} - equation: CH-CFCF3 <=> CF3 + C2HF # Reaction 2180 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.5e+04} - equation: CH-CFCF3 + O2 <=> HO2 + CFCCF3 # Reaction 2181 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 2.5e+04} - equation: CH-CFCF3 + H <=> CF3 + CH2CF # Reaction 2182 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 5000.0} - equation: CH-CFCF3 + H <=> H2 + CFCCF3 # Reaction 2183 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3000.0} - equation: CH-CFCF3 + H <=> HF + CF3CCH # Reaction 2184 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 2000.0} - equation: CH-CFCF3 + OH <=> CF3 + CH2CFO # Reaction 2185 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 4000.0} - equation: CH-CFCF3 + OH <=> H2O + CFCCF3 # Reaction 2186 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH-CFCF3 + CH3 <=> CH4 + CFCCF3 # Reaction 2187 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 3000.0} - equation: CH-CFCF3 + CF3 <=> CHF3 + CFCCF3 # Reaction 2188 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1500.0} - equation: CH-CFCF3 + CF2 <=> CHF2 + CFCCF3 # Reaction 2189 rate-constant: {A: 7.0e+12, b: 0.0, Ea: 8000.0} - equation: CH-CFCF3 + F <=> HF + CFCCF3 # Reaction 2190 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1000.0} - equation: CH-CFCF3 + F <=> CF3 + CHFCF[Z] # Reaction 2191 rate-constant: {A: 3.5e+12, b: 0.0, Ea: 9000.0} - equation: CFCCF3 + H <=> CF3 + C2HF # Reaction 2192 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 7500.0} - equation: CFCCF3 + O <=> CF3 + CFCO # Reaction 2193 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CFCCF3 + OH <=> CF3 + CHFCO # Reaction 2194 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5000.0} - equation: CFCCF3 + F <=> CF3 + C2F2 # Reaction 2195 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 7000.0} - equation: CFCCF3 <=> CF2 + C2F2 # Reaction 2196 rate-constant: {A: 3.0e+15, b: 0.0, Ea: 8.9e+04} - equation: CH2CF + CF3 <=> CF3CCH + HF # Reaction 2197 rate-constant: {A: 1.18e+13, b: 0.0, Ea: 5880.0} - equation: F + CH2CO <=> HF + HCCO # Reaction 2198 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 3000.0} - equation: CF3-CF3 + F <=> CF3 + CF4 # Reaction 2199 rate-constant: {A: 7.0e+11, b: 0.0, Ea: 7500.0} - equation: C3F7H + O <=> C3F7 + OH # Reaction 2200 rate-constant: {A: 7.0e+07, b: 1.6, Ea: 7200.0} - equation: C3F7H + CF3 <=> C3F7 + CHF3 # Reaction 2201 rate-constant: {A: 1.4e+11, b: 0.0, Ea: 1.01e+04} - equation: C3F7H (+M) <=> CF3 + CF3-CHF (+M) # Reaction 2202 type: falloff low-P-rate-constant: {A: 3.46e+21, b: 0.0, Ea: 8.5e+04} high-P-rate-constant: {A: 7.9e+15, b: 0.0, Ea: 8.5e+04} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, C3F7H: 12.0, HF: 2.0} - equation: C3F7H (+M) <=> C3F6 + HF (+M) # Reaction 2203 type: falloff low-P-rate-constant: {A: 3.46e+18, b: 0.0, Ea: 6.96e+04} high-P-rate-constant: {A: 7.9e+12, b: 0.0, Ea: 6.96e+04} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, C3F7H: 12.0, HF: 2.0} - equation: C3F7H + F <=> C3F7 + HF # Reaction 2204 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 2400.0} - equation: C3F7H + CH3 <=> C3F7 + CH4 # Reaction 2205 rate-constant: {A: 5.7e+10, b: 0.0, Ea: 9500.0} - equation: C3F7H + C2H3 <=> C3F7 + C2H4 # Reaction 2206 rate-constant: {A: 6.0e+10, b: 0.0, Ea: 7000.0} - equation: C3F7H + CH2F <=> C3F7 + CH3F # Reaction 2207 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: C3F7H + CHF2 <=> C3F7 + CH2F2 # Reaction 2208 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: C3F7H + OH <=> C3F7 + H2O # Reaction 2209 rate-constant: {A: 9.92e+05, b: 1.7, Ea: 1400.0} - equation: C3F7H + H <=> C3F7 + H2 # Reaction 2210 rate-constant: {A: 1.4e+07, b: 1.6, Ea: 1.02e+04} - equation: C3F7 + H <=> C3F6 + HF # Reaction 2211 rate-constant: {A: 2.415e+63, b: -13.87, Ea: 4.4675e+04} - equation: C3F7 + H <=> CF3-CHF + CF3 # Reaction 2212 rate-constant: {A: 5.284e+70, b: -15.71, Ea: 5.7151e+04} - equation: C3F7 + H <=> C3F7H # Reaction 2213 rate-constant: {A: 8.551e+64, b: -14.85, Ea: 3.2739e+04} - equation: C3F7 + F <=> CF3-CF2 + CF3 # Reaction 2214 rate-constant: {A: 2.5e+11, b: 0.0, Ea: 6000.0} - equation: C3F7O <=> C3F6O + F # Reaction 2215 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 5.5e+04} - equation: C3F7O <=> CF3COF + CF3 # Reaction 2216 rate-constant: {A: 1.0e+15, b: 0.0, Ea: 1.0e+04} - equation: C3F6O <=> CF3CO + CF3 # Reaction 2217 rate-constant: {A: 8.5e+16, b: 0.0, Ea: 7.6e+04} - equation: C3F6O + H <=> CF3CHO + CF3 # Reaction 2218 rate-constant: {A: 1.3e+11, b: 0.0, Ea: 3000.0} - equation: CF3CO <=> CF3 + CO # Reaction 2219 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 1.0e+04} - equation: C3F7 (+M) <=> CF2CF2 + CF3 (+M) # Reaction 2220 type: falloff low-P-rate-constant: {A: 4.38e+19, b: 0.0, Ea: 7.6e+04} high-P-rate-constant: {A: 1.0e+14, b: 0.0, Ea: 7.6e+04} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, C3F7H: 12.0, HF: 2.0} - equation: C3F7 (+M) <=> C3F6 + F (+M) # Reaction 2221 type: falloff low-P-rate-constant: {A: 8.75e+19, b: 0.0, Ea: 6.9e+04} high-P-rate-constant: {A: 2.0e+14, b: 0.0, Ea: 6.9e+04} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, C3F7H: 12.0, HF: 2.0} - equation: CF3-CHF + CF3 <=> C3F6 + HF # Reaction 2222 rate-constant: {A: 7.0e+16, b: -1.17, Ea: 4330.0} - equation: C3F7 + H2O2 <=> C3F7H + HO2 # Reaction 2223 rate-constant: {A: 9.0e+09, b: 0.0, Ea: 1000.0} - equation: C3F7 + HO2 <=> O2 + C3F7H # Reaction 2224 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: C3F7 + CH2O <=> C3F7H + HCO # Reaction 2225 rate-constant: {A: 5500.0, b: 2.8, Ea: 5900.0} - equation: C3F7 + O2 <=> C3F7O2 # Reaction 2226 rate-constant: {A: 3.954e+66, b: -16.34, Ea: 2.4194e+04} - equation: C3F7 + O2 <=> C3F7O + O # Reaction 2227 rate-constant: {A: 1.033e+20, b: -1.86, Ea: 2.0065e+04} - equation: C3F7OH => C3F6O + HF # Reaction 2228 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 5.7e+04} - equation: C3F7 + OH <=> CF3 + HF + CF3CO # Reaction 2229 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0} - equation: C3F7OH + H => C3F7 + H2O # Reaction 2230 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 5000.0} - equation: C3F7 + O <=> CF3COF + CF3 # Reaction 2231 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: C3F6 + OH <=> CF3-CHF + CF2O # Reaction 2232 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C3F6 + F <=> CF3-CF2 + CF2 # Reaction 2233 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: C3F6 + O <=> CF3COF + CF2 # Reaction 2234 rate-constant: {A: 5.8e+12, b: 0.0, Ea: 2500.0} - equation: C3F6 + O <=> CF2CF2 + CF2O # Reaction 2235 rate-constant: {A: 3.5e+12, b: 0.0, Ea: 6300.0} - equation: C3F6 (+M) <=> CF3 + CF2CF (+M) # Reaction 2236 type: falloff low-P-rate-constant: {A: 1.4e+19, b: 0.0, Ea: 1.056e+05} high-P-rate-constant: {A: 3.2e+13, b: 0.0, Ea: 1.056e+05} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, C3F7H: 12.0, HF: 2.0} - equation: C3F6 (+M) <=> CF2CF2 + CF2 (+M) # Reaction 2237 type: falloff low-P-rate-constant: {A: 1.4e+19, b: 0.0, Ea: 9.4e+04} high-P-rate-constant: {A: 3.2e+13, b: 0.0, Ea: 9.4e+04} efficiencies: {H2O: 9.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, CH3F: 6.0, CH2F2: 6.0, CHF3: 6.0, C3F7H: 12.0, HF: 2.0} - equation: C3F6 + H <=> CF3 + CHFCF2 # Reaction 2238 rate-constant: {A: 1.17e+21, b: -2.213, Ea: 9912.0} - equation: O + C3H8 <=> OH + C3H7 # Reaction 2239 rate-constant: {A: 1.93e+05, b: 2.68, Ea: 3716.0} - equation: H + C3H8 <=> C3H7 + H2 # Reaction 2240 rate-constant: {A: 1.32e+06, b: 2.54, Ea: 6756.0} - equation: OH + C3H8 <=> C3H7 + H2O # Reaction 2241 rate-constant: {A: 3.16e+07, b: 1.8, Ea: 934.0} - equation: C3H7 + H2O2 <=> HO2 + C3H8 # Reaction 2242 rate-constant: {A: 378.0, b: 2.72, Ea: 1500.0} - equation: CH3 + C3H8 <=> C3H7 + CH4 # Reaction 2243 rate-constant: {A: 0.903, b: 3.65, Ea: 7154.0} - equation: CH3 + C2H4 (+M) <=> C3H7 (+M) # Reaction 2244 type: falloff low-P-rate-constant: {A: 3.0e+63, b: -14.6, Ea: 1.817e+04} high-P-rate-constant: {A: 2.55e+06, b: 1.6, Ea: 5700.0} Troe: {A: 0.1894, T3: 277.0, T1: 8748.0, T2: 7891.0} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, AR: 0.7} - equation: O + C3H7 <=> C2H5 + CH2O # Reaction 2245 rate-constant: {A: 9.64e+13, b: 0.0, Ea: 0.0} - equation: H + C3H7 (+M) <=> C3H8 (+M) # Reaction 2246 type: falloff low-P-rate-constant: {A: 4.42e+61, b: -13.545, Ea: 1.1357e+04} high-P-rate-constant: {A: 3.613e+13, b: 0.0, Ea: 0.0} Troe: {A: 0.315, T3: 369.0, T1: 3285.0, T2: 6667.0} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, AR: 0.7} - equation: H + C3H7 <=> CH3 + C2H5 # Reaction 2247 rate-constant: {A: 4.06e+06, b: 2.19, Ea: 890.0} - equation: OH + C3H7 <=> C2H5 + CH2OH # Reaction 2248 rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0} - equation: HO2 + C3H7 <=> O2 + C3H8 # Reaction 2249 rate-constant: {A: 2.55e+10, b: 0.255, Ea: -943.0} - equation: HO2 + C3H7 => OH + C2H5 + CH2O # Reaction 2250 rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0} - equation: CH3 + C3H7 <=> 2 C2H5 # Reaction 2251 rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} - equation: CH3 + C2H5 (+M) <=> C3H8 (+M) # Reaction 2252 type: falloff low-P-rate-constant: {A: 2.71e+74, b: -16.82, Ea: 1.3065e+04} high-P-rate-constant: {A: 9.43e+12, b: 0.0, Ea: 0.0} Troe: {A: 0.1527, T3: 291.0, T1: 2742.0, T2: 7748.0} efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0, AR: 0.7} #----------------------------------------------------------------------------- #--------------------------- CF3O2 reaction subset --------------------------- #----------------------------------------------------------------------------- - equation: CF3 + O2 (+M) <=> CF3O2 (+M) # Reaction 2253 type: falloff low-P-rate-constant: {A: 8.87e+28, b: -4.0} high-P-rate-constant: {A: 5.38e+14, b: -1.0} note: JPL-2020 - equation: CF3O2 + CF3O2 <=> O2 + CF3O + CF3O # Reaction 2254 rate-constant: {A: 1.02e+12, b: 0.0, Ea: 0.0} note: Atkinson-2001 - equation: CF3O2 + HO2 <=> O2 + CF3OOH # Reaction 2255 rate-constant: {A: 7.83e+10, b: 0.0, Ea: -1569.8} note: Hayman-1994 - equation: CF3O2 + CO <=> CO2 + CF3O # Reaction 2256 rate-constant: {A: 3.01e+08, b: 0.0, Ea: 0.0} note: JPL-2020 - equation: CF3O2 + NO <=> CF3O + NO2 # Reaction 2257 rate-constant: {A: 3.25e+12, b: 0.0, Ea: -635.9} note: JPL-2020 - equation: CF3O2 + OH <=> HO2 + CF3O # Reaction 2258 rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0} note: Faraday-1997 - equation: CF3O2 + H <=> OH + CF3O # Reaction 2259 rate-constant: {A: 6.62e+13, b: 0.0, Ea: 0.0} note: Faraday-1997 - equation: CF3O2 + O <=> O2 + CF3O # Reaction 2260 rate-constant: {A: 3.61e+13, b: 0.0, Ea: 0.0} note: Science-1994 #----------------------------------------------------------------------------- #--------------------------- F/N/O reaction subset --------------------------- #----------------------------------------------------------------------------- # - equation: FO + O <=> F + O2 # rate-constant: {A: 1.62598e+13, b: 0.0, Ea: 0.0} # - equation: FO + H <=> HF + O # rate-constant: {A: 4.93816e+12, b: 0.0, Ea: 0.0} # - equation: FO + H <=> OH + F # rate-constant: {A: 9.51498e+12, b: 0.0, Ea: 0.0} # - equation: FO + FO <=> FO2 + F # rate-constant: {A: 3.01107e+11, b: 0.0, Ea: 0.0} # - equation: FO + FO <=> F + F + O2 # rate-constant: {A: 6.02214e+12, b: 0.0, Ea: 0.0} # - equation: FO + FO <=> F2 + O2 # rate-constant: {A: 2.77018e+09, b: 0.0, Ea: 0.0} # - equation: FO + O3 <=> FO2 + O2 # rate-constant: {A: 1.20443e+06, b: 0.0, Ea: 0.0} # - equation: FO + O3 <=> F + O2 + O2 # rate-constant: {A: 1.20443e+06, b: 0.0, Ea: 0.0} # - equation: FO + CO <=> F + CO2 # rate-constant: {A: 1.92709e+05, b: 2.03, Ea: 8822.3} # - equation: FO + NO <=> F + NO2 # rate-constant: {A: 4.93816e+12, b: 0.0, Ea: -596.1} # - equation: FO + NO3 <=> FO2 + NO2 # rate-constant: {A: 6.02214e+11, b: 0.0, Ea: 0.0} # - equation: FO + CH4 <=> FHO + CH3 # rate-constant: {A: 3011.07, b: 2.84, Ea: 1.06801e+04} # - equation: F + O3 <=> FO + O2 # rate-constant: {A: 4.51661e+12, b: 0.0, Ea: 0.0} # - equation: F2 + O <=> FO + F # rate-constant: {A: 9.77237e+12, b: 0.0, Ea: 1.036e+04} # - equation: F + NO3 <=> FO + NO2 # rate-constant: {A: 1.80664e+13, b: 0.0, Ea: 0.0} # - equation: F + O2 (+ M) <=> FO2 (+ M) # type: falloff # low-P-rate-constant: {A: 3.42008e+19, b: -1.7, Ea: 0.0} # high-P-rate-constant: {A: 7.22657e+13, b: 0.0, Ea: 0.0} # - equation: FO2 + O <=> FO + O2 # rate-constant: {A: 3.01107e+13, b: 0.0, Ea: 0.0} # - equation: FO2 + F <=> F2 + O2 # rate-constant: {A: 8.43099e+14, b: 0.0, Ea: 5544.9} # - equation: FO2 + NO <=> FNO + O2 # rate-constant: {A: 4.51661e+12, b: 0.0, Ea: 1371.03} # - equation: FO2 + O3 <=> FO + O2 + O2 # rate-constant: {A: 2.40886e+08, b: 0.0, Ea: 0.0} # - equation: FO2 + FO2 <=> F2 + O2 + O2 # rate-constant: {A: 8.70388e+14, b: 0.0, Ea: 0.0} # - equation: F2O + M <=> FO + F + M # type: three-body # rate-constant: {A: 1.8e+15, b: 0.0, Ea: 3.48e+04} # - equation: F2O + F <=> F2 + FO # rate-constant: {A: 5.1e+10, b: 0.0, Ea: 5961.0} # - equation: F2O + H <=> HF + FO # rate-constant: {A: 4.22152e+09, b: 0.0, Ea: 0.0} # - equation: F2O + CO <=> CFO + FO # rate-constant: {A: 2.79e+13, b: 0.0, Ea: 2.4856e+04} # - equation: F2O + OH <=> FO + FHO # rate-constant: {A: 1.21045e+11, b: 0.0, Ea: 0.0} # - equation: CF3O + NO <=> CF2O + FNO # rate-constant: {A: 2.22819e+13, b: 0.0, Ea: -218.6} # - equation: CF3O + O2 <=> CF2O + FO2 # rate-constant: {A: 1.80664e+13, b: 0.0, Ea: 9935.0} # - equation: F + NO (+ M) <=> FNO (+ M) # type: falloff # low-P-rate-constant: {A: 7.51e+17, b: -0.5, Ea: 0.0} # high-P-rate-constant: {A: 1.69e+14, b: 0.0, Ea: 0.0} # - equation: FNO + O <=> NO2 + F # rate-constant: {A: 3.01107e+11, b: 0.0, Ea: 0.0} # - equation: FNO + O3 <=> O2 + FNO2 # rate-constant: {A: 1.81266e+06, b: 0.0, Ea: 0.0} # - equation: FNO + HO2 <=> HF + O2 + NO # rate-constant: {A: 1.62598e+11, b: 0.0, Ea: -1474.4} # - equation: F2 + NO <=> FNO + F # rate-constant: {A: 7.22657e+09, b: 0.0, Ea: 0.0} # - equation: CF3 + NO2 <=> CF2O + FNO # rate-constant: {A: 9.21388e+12, b: 0.0, Ea: 0.0} # - equation: CFO + NO <=> CO + FNO # rate-constant: {A: 1.96924e+04, b: 2.74, Ea: 8508.3} # - equation: F + NO2 (+ M) <=> FNO2 (+ M) # type: falloff # low-P-rate-constant: {A: 4.83087e+22, b: -2.0, Ea: 0.0} # high-P-rate-constant: {A: 6.02214e+12, b: 0.0, Ea: 0.0} # - equation: FNO2 + O3 <=> O2 + O2 + FNO # rate-constant: {A: 4.81771e+05, b: 0.0, Ea: 0.0} # - equation: CF3O + NO2 <=> CF2O + FNO2 # rate-constant: {A: 1.92709e+12, b: 0.0, Ea: 0.0} # - equation: F2 + NO2 <=> FNO2 + F # rate-constant: {A: 1.59e+12, b: 0.0, Ea: 1.047e+04} # - equation: FO + NO2 (+ M) <=> FONO2 (+ M) # type: falloff # low-P-rate-constant: {A: 1.84958e+17, b: 0.0, Ea: 0.0} # high-P-rate-constant: {A: 3.01107e+12, b: 0.0, Ea: 0.0} # - equation: FONO2 <=> NO3 + F # rate-constant: {A: 1.6e+15, b: 0.0, Ea: 3.2e+04} # - equation: NF + H <=> HF + N # rate-constant: {A: 1.50554e+11, b: 0.0, Ea: 0.0} # - equation: NF + F <=> F2 + N # rate-constant: {A: 1.4233e+10, b: 1.1991, Ea: 2.8718e+04} # - equation: NF + NF <=> N2 + F + F # rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0} # - equation: NF2 + M <=> NF + F + M # type: three-body # rate-constant: {A: 7.6e+14, b: 0.0, Ea: 5.1e+04} # - equation: NF2 + N <=> NF + NF # rate-constant: {A: 6.93062e+05, b: 2.16435, Ea: 3.7037e+04} # - equation: NF2 + O <=> FO + NF # rate-constant: {A: 1.08399e+12, b: 0.0, Ea: 0.0} # - equation: NF2 + O <=> FNO + F # rate-constant: {A: 7.52768e+12, b: 0.0, Ea: 0.0} # - equation: NF2 + H <=> HF + NF # rate-constant: {A: 9.03321e+12, b: 0.0, Ea: 0.0} # - equation: NF2 + FO <=> FNO + F + F # rate-constant: {A: 2.28841e+12, b: 0.0, Ea: 0.0} # - equation: NF2 + NO2 <=> FNO + FNO # rate-constant: {A: 5.17904e+10, b: 0.0, Ea: 4868.6} # - equation: NF2 + F2O <=> NF3 + FO # rate-constant: {A: 3.04e+12, b: 0.5, Ea: 2.21e+04} # - equation: NF2 + F2 <=> NF3 + F # rate-constant: {A: 4.8e+12, b: 0.0, Ea: 1.44e+04} # - equation: NF2 + OH <=> FNO + HF # rate-constant: {A: 4.08903e+12, b: 0.0, Ea: -456.9} # - equation: NF2 + HO2 <=> FNO + FHO # rate-constant: {A: 1.45134e+13, b: 0.0, Ea: 1351.3} # - equation: NF3 + M <=> NF2 + F + M # type: three-body # rate-constant: {A: 4.1e+16, b: 0.0, Ea: 4.8e+04} # - equation: NF3 + N <=> NF2 + NF # rate-constant: {A: 1.7147e+07, b: 1.9701, Ea: 3.0043e+04} # - equation: NF3 + NF <=> NF2 + NF2 # rate-constant: {A: 7303.0, b: 2.91003, Ea: 3.4779e+04} # - equation: N2F4 <=> NF2 + NF2 # rate-constant: {A: 9.05282e+18, b: 0.3902, Ea: 4.7791e+04} # - equation: FHO + F <=> HF + FO # rate-constant: {A: 1.21e+14, b: 0.0, Ea: 0.0} # - equation: CF4 + OH <=> CF3 + FHO # rate-constant: {A: 1.2e+06, b: 0.0, Ea: 0.0}