diff --git a/tests/data/models/dups/1.yaml b/tests/data/models/dups/1.yaml new file mode 100644 index 00000000..3c7e617a --- /dev/null +++ b/tests/data/models/dups/1.yaml @@ -0,0 +1,101 @@ +generator: ck2yaml +input-files: [chem_annotated.inp, tran.dat] +cantera-version: 2.6.0 +date: Mon, 16 Oct 2023 09:32:11 +0300 + +units: {length: cm, time: s, quantity: mol, activation-energy: kcal/mol} + +phases: +- name: gas + thermo: ideal-gas + elements: [H, D, T, C, Ci, O, Oi, N, Ne, Ar, He, Si, S, F, Cl, Br, I, + X] + species: [HNO(63), HNO(T)(117)] + kinetics: gas + transport: mixture-averaged + state: {T: 300.0, P: 1 atm} + +elements: +- symbol: Ci + atomic-weight: 13.003 +- symbol: D + atomic-weight: 2.014 +- symbol: Oi + atomic-weight: 17.999 +- symbol: T + atomic-weight: 3.016 +- symbol: X + atomic-weight: 195.083 + +species: +- name: HNO(63) + composition: {H: 1, N: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 947.96, 2500.0] + data: + - [4.04892, -2.03371e-03, 9.1381e-06, -7.68952e-09, 2.1349e-12, 1.16828e+04, + 3.72802] + - [2.28668, 5.40271e-03, -2.62961e-06, 5.86811e-10, -4.79003e-14, 1.20169e+04, + 12.1356] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 170.0 + diameter: 3.43 + dipole: 1.62 + rotational-relaxation: 1.0 + note: NOx2018 + note: HNO(63) +- name: HNO(T)(117) + composition: {H: 1, N: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 797.95, 2500.0] + data: + - [3.9029, -7.20791e-04, 7.98867e-06, -8.20547e-09, 2.72225e-12, 2.13846e+04, + 5.26094] + - [2.76701, 4.97317e-03, -2.71477e-06, 7.36833e-10, -7.93508e-14, 2.15659e+04, + 10.4846] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 419.116 + diameter: 5.652 + note: Epsilon & sigma estimated with Tc=544.31 K, Pc=43.8 bar (from + Joback method) + note: HNO(T)(117) + +reactions: +- equation: HNO(63) + HNO(63) <=> HNO(T)(117) + HNO(T)(117) # Reaction 515 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-9.899, -2.244e-07, -1.375e-07, -6.452e-08] + - [10.61, -1.791e-08, -1.098e-08, -5.15e-09] + - [0.1084, 5.789e-10, 3.548e-10, 1.665e-10] + - [0.02232, -9.015e-10, -5.526e-10, -2.592e-10] + - [4.458e-03, -6.43e-10, -3.941e-10, -1.849e-10] + - [8.737e-04, -2.09e-10, -1.281e-10, -6.01e-11] + note: |- + Reaction index: Chemkin #515; RMG #1957 + PDep reaction: PDepNetwork #87 + Flux pairs: HNO(63), HNO(T)(117); HNO(63), HNO(T)(117); +- equation: HNO(T)(117) <=> HNO(63) # Reaction 561 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.475, 0.7131, -0.2205, 5.328e-03] + - [-0.1518, 0.1572, 4.48e-04, -0.02016] + - [-0.03783, 0.0323, 5.309e-03, -3.914e-03] + - [-6.146e-03, 2.574e-03, 2.342e-03, -1.251e-05] + - [-2.889e-03, 1.998e-03, 2.569e-04, -8.23e-05] + - [4.209e-04, -9.79e-04, 2.049e-04, 1.623e-04] + note: |- + Reaction index: Chemkin #561; RMG #4867 + PDep reaction: PDepNetwork #470 + Flux pairs: HNO(T)(117), HNO(63); diff --git a/tests/data/models/dups/2.yaml b/tests/data/models/dups/2.yaml new file mode 100644 index 00000000..b229d015 --- /dev/null +++ b/tests/data/models/dups/2.yaml @@ -0,0 +1,162 @@ +generator: ck2yaml +input-files: [chem_annotated.inp, tran.dat] +cantera-version: 2.6.0 +date: Mon, 16 Oct 2023 09:32:11 +0300 + +units: {length: cm, time: s, quantity: mol, activation-energy: kcal/mol} + +phases: +- name: gas + thermo: ideal-gas + elements: [H, D, T, C, Ci, O, Oi, N, Ne, Ar, He, Si, S, F, Cl, Br, I, + X] + species: [N2(2), O2(3), HO2(10), NNH(71), NH2O(93), HNO(T)(117)] + kinetics: gas + transport: mixture-averaged + state: {T: 300.0, P: 1 atm} + +elements: +- symbol: Ci + atomic-weight: 13.003 +- symbol: D + atomic-weight: 2.014 +- symbol: Oi + atomic-weight: 17.999 +- symbol: T + atomic-weight: 3.016 +- symbol: X + atomic-weight: 195.083 + +species: +- name: N2(2) + composition: {N: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1224.73, 2500.0] + data: + - [3.57917, -9.2269e-04, 2.52013e-06, -1.59938e-09, 3.37289e-13, -1044.86, + 2.81354] + - [2.85431, 1.44431e-03, -3.78377e-07, -2.18841e-11, 1.53369e-14, -867.277, + 6.45765] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: linear + well-depth: 97.53 + diameter: 3.621 + polarizability: 1.76 + rotational-relaxation: 4.0 + note: PrimaryTransportLibrary + note: N2(2) +- name: O2(3) + composition: {O: 2} + thermo: + model: NASA7 + temperature-ranges: [100.0, 1087.71, 5000.0] + data: + - [3.53763631, -1.22826882e-03, 5.36756515e-06, -4.93125523e-09, 1.45954081e-12, + -1037.99023, 4.67180007] + - [3.16427597, 1.69453107e-03, -8.00332239e-07, 1.59029251e-10, -1.14890364e-14, + -1048.44704, 6.08300917] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: linear + well-depth: 106.7 + diameter: 3.467 + note: PrimaryTransportLibrary + note: O2(3) +- name: HO2(10) + composition: {H: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [100.0, 923.9, 5000.0] + data: + - [4.02957148, -2.63999447e-03, 1.52235621e-05, -1.71678812e-08, 6.26772304e-12, + 322.676787, 4.84423889] + - [4.15129844, 1.91151964e-03, -4.1130909e-07, 6.35040525e-11, -4.86454821e-15, + 83.4346007, 3.0935982] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: nonlinear + well-depth: 107.4 + diameter: 3.458 + rotational-relaxation: 1.0 + note: NOx2018 + note: HO2(10) +- name: NNH(71) + composition: {H: 1, N: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 876.56, 2500.0] + data: + - [3.95201, -1.12385e-03, 8.04654e-06, -7.44027e-09, 2.23831e-12, 2.87903e+04, + 4.48518] + - [2.59685, 5.05955e-03, -2.53369e-06, 6.05725e-10, -5.62358e-14, 2.90279e+04, + 10.8447] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: linear + well-depth: 292.088 + diameter: 3.459 + dipole: 1.858 + polarizability: 2.016 + rotational-relaxation: 1.0 + note: OneDMinN2 + note: NNH(71) +- name: NH2O(93) + composition: {H: 2, N: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 914.76, 2500.0] + data: + - [4.07928, 2.27378e-03, 4.54857e-06, -4.93461e-09, 1.48515e-12, 6359.36, + 3.76557] + - [2.98935, 7.03992e-03, -3.26708e-06, 7.61529e-10, -7.16286e-14, 6558.76, + 8.92673] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 116.7 + diameter: 3.492 + rotational-relaxation: 1.0 + note: NOx2018 + note: NH2O(93) +- name: HNO(T)(117) + composition: {H: 1, N: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 797.95, 2500.0] + data: + - [3.9029, -7.20791e-04, 7.98867e-06, -8.20547e-09, 2.72225e-12, 2.13846e+04, + 5.26094] + - [2.76701, 4.97317e-03, -2.71477e-06, 7.36833e-10, -7.93508e-14, 2.15659e+04, + 10.4846] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 419.116 + diameter: 5.652 + note: Epsilon & sigma estimated with Tc=544.31 K, Pc=43.8 bar (from + Joback method) + note: HNO(T)(117) + +reactions: +- equation: O2(3) + NH2O(93) <=> HO2(10) + HNO(T)(117) # Reaction 503 + duplicate: true + rate-constant: {A: 4429.0, b: 2.578, Ea: 29.877} + note: |- + Reaction index: Chemkin #503; RMG #340 + Library reaction: primaryNitrogenLibrary + Flux pairs: O2(3), HO2(10); NH2O(93), HNO(T)(117); +- equation: HNO(T)(117) + NNH(71) <=> N2(2) + NH2O(93) # Reaction 504 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #504; RMG #1830 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), NH2O(93); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C diff --git a/tests/data/models/dups/NH3.yaml b/tests/data/models/dups/NH3.yaml new file mode 100644 index 00000000..b1a2b903 --- /dev/null +++ b/tests/data/models/dups/NH3.yaml @@ -0,0 +1,7891 @@ +generator: ck2yaml +input-files: [chem_annotated.inp, tran.dat] +cantera-version: 2.6.0 +date: Mon, 16 Oct 2023 09:32:11 +0300 + +units: {length: cm, time: s, quantity: mol, activation-energy: kcal/mol} + +phases: +- name: gas + thermo: ideal-gas + elements: [H, D, T, C, Ci, O, Oi, N, Ne, Ar, He, Si, S, F, Cl, Br, I, + X] + species: [Ar, Ne, NH3(1), N2(2), O2(3), H2(4), H(5), OH(7), O(8), H2O(9), + HO2(10), H2O2(11), O3(12), N2H3(15), NH2(16), N2H2(17), H2NN(S)(18), + N2H4(22), N(27), NO(28), NH(37), N2O(59), NO2(60), HNO(63), HNNO(70), + NNH(71), NH(S)(72), NH2NO(73), HNO2(74), HNOH(76), HONO(77), ONONO2(78), + NO3(79), HNO3(80), N2H3O(81), N2O4(82), N2O3(85), NH2O(93), NH2OH(94), + H2NNO2(98), H2NONO(99), HNO(T)(117), NH2OOH(133), HONHOO(136), HONHO(221), + 'NO[O](227)', '[NH]OO(236)', NON(239), N2O2(274), 'O1O[N]1(277)', H2N2O2(289), + 'NNO[O](309)', 'N[N]O(355)', 'O[N]O(449)'] + kinetics: gas + transport: mixture-averaged + state: {T: 300.0, P: 1 atm} + +elements: +- symbol: Ci + atomic-weight: 13.003 +- symbol: D + atomic-weight: 2.014 +- symbol: Oi + atomic-weight: 17.999 +- symbol: T + atomic-weight: 3.016 +- symbol: X + atomic-weight: 195.083 + +species: +- name: Ar + composition: {Ar: 1} + thermo: + model: NASA7 + temperature-ranges: [100.0, 4879.8, 5000.0] + data: + - [2.5, -3.01680531e-12, 3.74582141e-15, -1.50856878e-18, 1.86626471e-22, + -745.0, 4.36630363] + - [4.28461071, -1.45494649e-03, 4.44804306e-07, -6.04359642e-11, 3.07921551e-15, + -2496.12545, -7.08185419] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: atom + well-depth: 136.5 + diameter: 3.33 + note: NOx2018 + note: Ar +- name: Ne + composition: {Ne: 1} + thermo: + model: NASA7 + temperature-ranges: [200.0, 6000.0] + data: + - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 3.35532] + note: 'Thermo library: primaryThermoLibrary' + transport: + model: gas + geometry: atom + well-depth: 148.6 + diameter: 3.758 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: Ne +- name: NH3(1) + composition: {H: 3, N: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 951.01, 2500.0] + data: + - [4.02402, -1.71864e-03, 1.05396e-05, -8.56127e-09, 2.31612e-12, -6679.15, + 0.316593] + - [2.1289, 6.25227e-03, -2.03265e-06, 2.51927e-10, -6.70266e-16, -6318.69, + 9.36423] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 481.0 + diameter: 2.92 + dipole: 1.47 + rotational-relaxation: 10.0 + note: NOx2018 + note: NH3(1) +- name: N2(2) + composition: {N: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1224.73, 2500.0] + data: + - [3.57917, -9.2269e-04, 2.52013e-06, -1.59938e-09, 3.37289e-13, -1044.86, + 2.81354] + - [2.85431, 1.44431e-03, -3.78377e-07, -2.18841e-11, 1.53369e-14, -867.277, + 6.45765] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: linear + well-depth: 97.53 + diameter: 3.621 + polarizability: 1.76 + rotational-relaxation: 4.0 + note: PrimaryTransportLibrary + note: N2(2) +- name: O2(3) + composition: {O: 2} + thermo: + model: NASA7 + temperature-ranges: [100.0, 1087.71, 5000.0] + data: + - [3.53763631, -1.22826882e-03, 5.36756515e-06, -4.93125523e-09, 1.45954081e-12, + -1037.99023, 4.67180007] + - [3.16427597, 1.69453107e-03, -8.00332239e-07, 1.59029251e-10, -1.14890364e-14, + -1048.44704, 6.08300917] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: linear + well-depth: 106.7 + diameter: 3.467 + note: PrimaryTransportLibrary + note: O2(3) +- name: H2(4) + composition: {H: 2} + thermo: + model: NASA7 + temperature-ranges: [100.0, 1962.84, 5000.0] + data: + - [3.42253716, 2.8665159e-04, -4.14674932e-07, 4.27551304e-10, -9.38127072e-14, + -1029.78489, -3.86364656] + - [2.74221074, 5.79509424e-04, 1.97216825e-07, -6.4112276e-11, 4.96023705e-15, + -552.051467, 0.413960148] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: linear + well-depth: 59.7 + diameter: 2.833 + note: PrimaryTransportLibrary + note: H2(4) +- name: H(5) + composition: {H: 1} + thermo: + model: NASA7 + temperature-ranges: [100.0, 4879.8, 5000.0] + data: + - [2.5, -3.01680531e-12, 3.74582141e-15, -1.50856878e-18, 1.86626471e-22, + 2.54727081e+04, -0.459566249] + - [4.28461071, -1.45494649e-03, 4.44804306e-07, -6.04359642e-11, 3.07921551e-15, + 2.37215827e+04, -11.9077241] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: atom + well-depth: 145.0 + diameter: 2.05 + note: NOx2018 + note: H(5) +- name: OH(7) + composition: {H: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [100.0, 1005.24, 5000.0] + data: + - [3.48579435, 1.33398496e-03, -4.70049268e-06, 5.64387033e-09, -2.06321009e-12, + 3411.95709, 1.99788208] + - [2.88225869, 1.03867746e-03, -2.35645912e-07, 1.40215423e-11, 6.34697142e-16, + 3669.55747, 5.59049786] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: linear + well-depth: 80.0 + diameter: 2.75 + note: NOx2018 + note: OH(7) +- name: O(8) + composition: {O: 1} + thermo: + model: NASA7 + temperature-ranges: [100.0, 4879.8, 5000.0] + data: + - [2.5, -3.01680531e-12, 3.74582141e-15, -1.50856878e-18, 1.86626471e-22, + 2.92267216e+04, 5.1110677] + - [4.28461071, -1.45494649e-03, 4.44804306e-07, -6.04359642e-11, 3.07921551e-15, + 2.74755961e+04, -6.33709012] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: atom + well-depth: 80.0 + diameter: 2.75 + note: NOx2018 + note: O(8) +- name: H2O(9) + composition: {H: 2, O: 1} + thermo: + model: NASA7 + temperature-ranges: [100.0, 1281.42, 5000.0] + data: + - [3.99882057, -5.54836321e-04, 2.76775546e-06, -1.55666129e-09, 3.023337e-13, + -3.02745569e+04, -0.0308963551] + - [3.19560815, 1.95239236e-03, -1.67113724e-07, -2.97949219e-11, 4.45148158e-15, + -3.00687041e+04, 4.04332009] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: nonlinear + well-depth: 809.102 + diameter: 2.641 + polarizability: 1.76 + rotational-relaxation: 4.0 + note: PrimaryTransportLibrary + note: H2O(9) +- name: HO2(10) + composition: {H: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [100.0, 923.9, 5000.0] + data: + - [4.02957148, -2.63999447e-03, 1.52235621e-05, -1.71678812e-08, 6.26772304e-12, + 322.676787, 4.84423889] + - [4.15129844, 1.91151964e-03, -4.1130909e-07, 6.35040525e-11, -4.86454821e-15, + 83.4346007, 3.0935982] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: nonlinear + well-depth: 107.4 + diameter: 3.458 + rotational-relaxation: 1.0 + note: NOx2018 + note: HO2(10) +- name: H2O2(11) + composition: {H: 2, O: 2} + thermo: + model: NASA7 + temperature-ranges: [100.0, 923.28, 5000.0] + data: + - [3.72866433, 4.13384648e-03, 5.67470353e-06, -1.01861897e-08, 4.2859484e-12, + -1.76963957e+04, 5.35913619] + - [4.95153547, 3.54226732e-03, -1.01038904e-06, 1.61937599e-10, -1.10205884e-14, + -1.81228012e+04, -1.5292173] + note: 'Thermo library: BurkeH2O2' + transport: + model: gas + geometry: nonlinear + well-depth: 289.3 + diameter: 4.196 + note: PrimaryTransportLibrary + note: H2O2(11) +- name: O3(12) + composition: {O: 3} + thermo: + model: NASA7 + temperature-ranges: [200.0, 1000.0, 5000.0] + data: + - [2.46261, 9.58278e-03, -7.08736e-06, 1.36337e-09, 2.96965e-13, 1.60615e+04, + 12.1419] + - [5.42937, 1.82038e-03, -7.70561e-07, 1.49929e-10, -1.07556e-14, 1.52353e+04, + -3.26639] + note: 'Thermo library: primaryThermoLibrary' + transport: + model: gas + geometry: nonlinear + well-depth: 180.0 + diameter: 4.1 + rotational-relaxation: 2.0 + note: NOx2018 + note: O3(12) +- name: N2H3(15) + composition: {H: 3, N: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 873.92, 2500.0] + data: + - [2.47038, 0.0102435, -2.24638e-06, -2.64392e-09, 1.4641e-12, 2.58044e+04, + 11.5301] + - [2.54231, 0.0110855, -5.70177e-06, 1.5255e-09, -1.67308e-13, 2.57471e+04, + 10.9369] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 327.797 + diameter: 3.595 + dipole: 2.254 + polarizability: 2.772 + rotational-relaxation: 1.0 + note: OneDMinN2 + note: N2H3(15) +- name: NH2(16) + composition: {H: 2, N: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1159.03, 2500.0] + data: + - [4.17563, -1.69104e-03, 5.10754e-06, -3.25458e-09, 7.05524e-13, 2.1166e+04, + -0.0947707] + - [2.96198, 2.49753e-03, -3.13356e-07, -1.36462e-10, 3.29417e-14, 2.14473e+04, + 5.93948] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 80.0 + diameter: 2.65 + polarizability: 2.26 + rotational-relaxation: 4.0 + note: NOx2018 + note: NH2(16) +- name: N2H2(17) + composition: {H: 2, N: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 858.61, 2500.0] + data: + - [3.90363, -2.77548e-03, 1.71597e-05, -1.59688e-08, 4.88596e-12, 2.28898e+04, + 4.17493] + - [1.18583, 9.886e-03, -4.96016e-06, 1.20622e-09, -1.14888e-13, 2.33565e+04, + 16.8724] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 323.008 + diameter: 3.531 + polarizability: 2.297 + rotational-relaxation: 1.0 + note: OneDMinN2 + note: N2H2(17) +- name: H2NN(S)(18) + composition: {H: 2, N: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 830.38, 2500.0] + data: + - [3.81477, -1.87204e-03, 1.62016e-05, -1.58152e-08, 5.01782e-12, 3.49692e+04, + 4.44255] + - [1.36937, 9.90746e-03, -5.07663e-06, 1.26764e-09, -1.25188e-13, 3.53753e+04, + 15.7857] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 387.557 + diameter: 3.467 + dipole: 3.507 + polarizability: 2.349 + rotational-relaxation: 1.0 + note: OneDMinN2 + note: H2NN(S)(18) +- name: N2H4(22) + composition: {H: 4, N: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 867.23, 2500.0] + data: + - [2.35889, 0.0117876, 7.52133e-07, -7.2024e-09, 3.25471e-12, 1.05147e+04, + 11.6062] + - [2.1854, 0.0146696, -7.83336e-06, 2.16554e-09, -2.43776e-13, 1.04665e+04, + 11.9671] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 344.722 + diameter: 3.617 + polarizability: 2.799 + rotational-relaxation: 1.0 + note: OneDMinN2 + note: N2H4(22) +- name: N(27) + composition: {N: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 2023.39, 2500.0] + data: + - [2.5, 4.40191e-13, -7.53247e-16, 5.07597e-19, -1.16114e-22, 5.60766e+04, + 4.17947] + - [2.5, 1.12586e-09, -7.88843e-13, 2.44938e-16, -2.84351e-20, 5.60766e+04, + 4.17947] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: atom + well-depth: 71.4 + diameter: 3.298 + note: NOx2018 + note: N(27) +- name: NO(28) + composition: {N: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1010.73, 2500.0] + data: + - [3.54726, -9.76042e-04, 3.57791e-06, -2.83595e-09, 7.41777e-13, 9921.79, + 4.62453] + - [2.75583, 2.15604e-03, -1.07029e-06, 2.29919e-10, -1.6545e-14, 1.00818e+04, + 8.45118] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: linear + well-depth: 139.32 + diameter: 3.339 + dipole: 0.2 + polarizability: 1.76 + rotational-relaxation: 4.0 + note: NOx2018 + note: NO(28) +- name: NH(37) + composition: {H: 1, N: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1018.46, 2500.0] + data: + - [3.60703, -5.82915e-04, 7.15283e-07, 1.58499e-10, -1.95045e-13, 4.20969e+04, + 1.34837] + - [3.35047, -8.48743e-05, 7.32289e-07, -3.43917e-10, 4.88775e-14, 4.21756e+04, + 2.72055] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: linear + well-depth: 80.0 + diameter: 2.65 + rotational-relaxation: 4.0 + note: NOx2018 + note: NH(37) +- name: N2O(59) + composition: {N: 2, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 976.08, 2500.0] + data: + - [2.88531, 6.50141e-03, -2.19165e-06, -1.53978e-09, 9.4506e-13, 8807.19, + 8.1661] + - [3.16789, 6.67343e-03, -4.49998e-06, 1.43287e-09, -1.73879e-13, 8688.67, + 6.48507] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: linear + well-depth: 232.4 + diameter: 3.828 + dipole: 0.2 + rotational-relaxation: 1.0 + note: NOx2018 + note: N2O(59) +- name: NO2(60) + composition: {N: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 882.31, 2500.0] + data: + - [3.44844, 2.26387e-03, 6.15116e-06, -9.07133e-09, 3.4916e-12, 2931.62, + 8.34207] + - [2.86852, 6.76166e-03, -4.67235e-06, 1.50729e-09, -1.85984e-13, 2961.22, + 10.6551] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 333.59 + diameter: 3.852 + dipole: 0.4 + rotational-relaxation: 1.0 + note: NOx2018 + note: NO2(60) +- name: HNO(63) + composition: {H: 1, N: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 947.96, 2500.0] + data: + - [4.04892, -2.03371e-03, 9.1381e-06, -7.68952e-09, 2.1349e-12, 1.16828e+04, + 3.72802] + - [2.28668, 5.40271e-03, -2.62961e-06, 5.86811e-10, -4.79003e-14, 1.20169e+04, + 12.1356] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 170.0 + diameter: 3.43 + dipole: 1.62 + rotational-relaxation: 1.0 + note: NOx2018 + note: HNO(63) +- name: HNNO(70) + composition: {H: 1, N: 2, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 856.03, 2500.0] + data: + - [3.22652, 1.93049e-03, 1.7626e-05, -2.24845e-08, 8.32227e-12, 2.38513e+04, + 10.2175] + - [1.17257, 0.0145893, -9.91965e-06, 3.14513e-09, -3.82762e-13, 2.40908e+04, + 19.1523] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 232.4 + diameter: 3.828 + rotational-relaxation: 1.0 + note: NOx2018 + note: HNNO(70) +- name: NNH(71) + composition: {H: 1, N: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 876.56, 2500.0] + data: + - [3.95201, -1.12385e-03, 8.04654e-06, -7.44027e-09, 2.23831e-12, 2.87903e+04, + 4.48518] + - [2.59685, 5.05955e-03, -2.53369e-06, 6.05725e-10, -5.62358e-14, 2.90279e+04, + 10.8447] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: linear + well-depth: 292.088 + diameter: 3.459 + dipole: 1.858 + polarizability: 2.016 + rotational-relaxation: 1.0 + note: OneDMinN2 + note: NNH(71) +- name: NH(S)(72) + composition: {H: 1, N: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1016.57, 2500.0] + data: + - [3.60037, -5.34387e-04, 6.06544e-07, 2.40431e-10, -2.16168e-13, 6.02106e+04, + 0.274904] + - [3.37342, -1.44347e-04, 7.73144e-07, -3.55512e-10, 5.00787e-14, 6.02827e+04, + 1.50133] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: linear + well-depth: 80.0 + diameter: 2.65 + rotational-relaxation: 4.0 + note: PrimaryTransportLibrary + note: NH(S)(72) +- name: NH2NO(73) + composition: {H: 2, N: 2, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1332.32, 2500.0] + data: + - [3.45286, 0.0131475, -9.05272e-06, 3.31346e-09, -5.10648e-13, 7614.76, + 8.05399] + - [4.60865, 9.67739e-03, -5.14586e-06, 1.35852e-09, -1.43812e-13, 7306.78, + 2.14637] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 237.1 + diameter: 5.118 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: NH2NO(73) +- name: HNO2(74) + composition: {H: 1, N: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 839.37, 2500.0] + data: + - [3.36352, 1.17404e-03, 1.61593e-05, -2.00675e-08, 7.42513e-12, -6392.77, + 8.58965] + - [1.53117, 0.0122918, -7.97211e-06, 2.485e-09, -3.00495e-13, -6169.21, + 16.6082] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 350.0 + diameter: 3.95 + dipole: 1.639 + rotational-relaxation: 1.0 + note: NOx2018 + note: HNO2(74) +- name: HNOH(76) + composition: {H: 2, N: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 839.26, 2500.0] + data: + - [3.07284, 4.42232e-03, 5.37198e-06, -8.99621e-09, 3.6302e-12, 1.02127e+04, + 9.07206] + - [2.59974, 8.35128e-03, -4.64222e-06, 1.33526e-09, -1.55318e-13, 1.02331e+04, + 10.9204] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 116.7 + diameter: 3.492 + rotational-relaxation: 1.0 + note: NOx2018 + note: HNOH(76) +- name: HONO(77) + composition: {H: 1, N: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 948.02, 2500.0] + data: + - [1.95928, 0.0165219, -1.86802e-05, 1.12647e-08, -2.76569e-12, -1.06887e+04, + 14.5546] + - [4.053, 7.68787e-03, -4.70275e-06, 1.43554e-09, -1.7367e-13, -1.10857e+04, + 4.56542] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 350.0 + diameter: 3.95 + dipole: 1.639 + rotational-relaxation: 1.0 + note: NOx2018 + note: HONO(77) +- name: ONONO2(78) + composition: {N: 2, O: 4} + thermo: + model: NASA7 + temperature-ranges: [298.0, 958.43, 2500.0] + data: + - [5.19485, 0.0183156, -1.07462e-05, -2.2203e-10, 1.56645e-12, 2592.18, + 6.65451] + - [7.28082, 0.0134838, -9.24703e-06, 2.95239e-09, -3.61617e-13, 2014.4, + -4.24875] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 399.3 + diameter: 5.949 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: ONONO2(78) +- name: NO3(79) + composition: {N: 1, O: 3} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1046.36, 2500.0] + data: + - [2.4283, 0.0165038, -1.45483e-05, 5.41129e-09, -5.80254e-13, 7578.48, + 12.7513] + - [5.14525, 8.33799e-03, -6.02541e-06, 2.00922e-09, -2.51978e-13, 6888.35, + -1.06038] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 400.0 + diameter: 4.2 + dipole: 0.2 + rotational-relaxation: 1.0 + note: NOx2018 + note: NO3(79) +- name: HNO3(80) + composition: {H: 1, N: 1, O: 3} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1138.23, 2500.0] + data: + - [0.575295, 0.0267557, -2.74413e-05, 1.39498e-08, -2.82692e-12, -1.72817e+04, + 21.916] + - [4.84502, 0.0117508, -7.66705e-06, 2.36787e-09, -2.83044e-13, -1.82537e+04, + 0.764279] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 400.0 + diameter: 4.2 + dipole: 0.2 + rotational-relaxation: 1.0 + note: NOx2018 + note: HNO3(80) +- name: N2H3O(81) + composition: {H: 3, N: 2, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 962.4, 2500.0] + data: + - [2.61874, 0.0151368, -3.93849e-06, -4.15926e-09, 2.28086e-12, 1.64721e+04, + 14.1009] + - [2.931, 0.0165316, -1.03091e-05, 3.1609e-09, -3.75867e-13, 1.62873e+04, + 11.9586] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 237.1 + diameter: 5.118 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: N2H3O(81) +- name: N2O4(82) + composition: {N: 2, O: 4} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1084.54, 2500.0] + data: + - [2.9869, 0.0298811, -3.15564e-05, 1.65055e-08, -3.46588e-12, -658.459, + 11.8976] + - [7.25107, 0.0141542, -9.80502e-06, 3.13503e-09, -3.8386e-13, -1583.4, + -9.02068] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 399.3 + diameter: 5.949 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: N2O4(82) +- name: N2O3(85) + composition: {N: 2, O: 3} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1009.43, 2500.0] + data: + - [5.00769, 0.0152729, -1.237e-05, 3.97118e-09, -2.18399e-13, 8297.22, + 3.71118] + - [7.15172, 8.91867e-03, -6.11032e-06, 1.93899e-09, -2.35681e-13, 7755.25, + -7.19314] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 341.1 + diameter: 5.784 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: N2O3(85) +- name: NH2O(93) + composition: {H: 2, N: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 914.76, 2500.0] + data: + - [4.07928, 2.27378e-03, 4.54857e-06, -4.93461e-09, 1.48515e-12, 6359.36, + 3.76557] + - [2.98935, 7.03992e-03, -3.26708e-06, 7.61529e-10, -7.16286e-14, 6558.76, + 8.92673] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 116.7 + diameter: 3.492 + rotational-relaxation: 1.0 + note: NOx2018 + note: NH2O(93) +- name: NH2OH(94) + composition: {H: 3, N: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 901.67, 2500.0] + data: + - [2.45498, 9.12211e-03, 5.52546e-06, -1.28325e-08, 5.37895e-12, -6388.42, + 11.3877] + - [2.33175, 0.0137315, -8.90135e-06, 2.83138e-09, -3.49572e-13, -6531.35, + 11.0537] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 116.7 + diameter: 3.492 + rotational-relaxation: 1.0 + note: NOx2018 + note: NH2OH(94) +- name: H2NNO2(98) + composition: {H: 2, N: 2, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1058.83, 2500.0] + data: + - [1.67634, 0.0247611, -2.09598e-05, 8.57821e-09, -1.28769e-12, -696.412, + 16.7862] + - [5.14237, 0.0137643, -8.35169e-06, 2.5102e-09, -2.96596e-13, -1547.94, + -0.688597] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 531.4 + diameter: 4.687 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: H2NNO2(98) +- name: H2NONO(99) + composition: {H: 2, N: 2, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 829.0, 2500.0] + data: + - [3.69674, 0.0260916, -3.41614e-05, 2.4219e-08, -6.95122e-12, 1.00372e+04, + 6.9044] + - [6.8686, 0.0107868, -6.46826e-06, 1.94821e-09, -2.34931e-13, 9511.29, + -7.80306] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 531.4 + diameter: 4.687 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: H2NONO(99) +- name: HNO(T)(117) + composition: {H: 1, N: 1, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 797.95, 2500.0] + data: + - [3.9029, -7.20791e-04, 7.98867e-06, -8.20547e-09, 2.72225e-12, 2.13846e+04, + 5.26094] + - [2.76701, 4.97317e-03, -2.71477e-06, 7.36833e-10, -7.93508e-14, 2.15659e+04, + 10.4846] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 419.116 + diameter: 5.652 + note: Epsilon & sigma estimated with Tc=544.31 K, Pc=43.8 bar (from + Joback method) + note: HNO(T)(117) +- name: NH2OOH(133) + composition: {H: 3, N: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1031.66, 2500.0] + data: + - [2.61743, 0.0236206, -2.47082e-05, 1.36895e-08, -3.07366e-12, 9.04537, + 12.8721] + - [5.82677, 0.0111774, -6.61631e-06, 1.99849e-09, -2.40625e-13, -653.149, + -2.71116] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 436.674 + diameter: 5.848 + note: Epsilon & sigma estimated with Tc=567.11 K, Pc=41.2 bar (from + Joback method) + note: NH2OOH(133) +- name: HONHOO(136) + composition: {H: 2, N: 1, O: 3} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1059.15, 2500.0] + data: + - [3.61112, 0.02141, -1.84195e-05, 7.49572e-09, -1.11347e-12, 1.17363e+04, + 10.9168] + - [6.59936, 0.0119468, -7.59809e-06, 2.30869e-09, -2.72541e-13, 1.10011e+04, + -4.15401] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 479.011 + diameter: 6.317 + note: Epsilon & sigma estimated with Tc=622.09 K, Pc=35.86 bar (from + Joback method) + note: HONHOO(136) +- name: HONHO(221) + composition: {H: 2, N: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 971.54, 2500.0] + data: + - [3.15375, 0.0124759, -6.22351e-06, -8.25338e-11, 7.51663e-13, -425.23, + 11.4633] + - [3.93071, 0.0109678, -6.5057e-06, 1.90246e-09, -2.2008e-13, -655.996, + 7.32673] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 237.1 + diameter: 5.118 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: HONHO(221) +- name: NO[O](227) + composition: {H: 2, N: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 781.35, 2500.0] + data: + - [5.06329, 1.78829e-03, 1.30223e-05, -1.60113e-08, 5.91685e-12, 1.7464e+04, + 3.91391] + - [3.41401, 0.011041, -6.29449e-06, 1.79609e-09, -2.0499e-13, 1.7697e+04, + 11.3057] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 436.674 + diameter: 5.848 + note: Epsilon & sigma estimated with Tc=567.11 K, Pc=41.2 bar (from + Joback method) + note: NO[O](227) +- name: '[NH]OO(236)' + composition: {H: 2, N: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 901.99, 2500.0] + data: + - [3.9686, 7.52346e-03, 3.26852e-06, -7.94702e-09, 3.19104e-12, 1.78065e+04, + 8.69494] + - [3.41474, 0.0118862, -7.15742e-06, 2.10233e-09, -2.43815e-13, 1.78288e+04, + 10.8799] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 436.674 + diameter: 5.848 + note: Epsilon & sigma estimated with Tc=567.11 K, Pc=41.2 bar (from + Joback method) + note: '[NH]OO(236)' +- name: NON(239) + composition: {H: 4, N: 2, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1110.21, 2500.0] + data: + - [1.80874, 0.030058, -3.0821e-05, 1.63883e-08, -3.46868e-12, 1.42647e+04, + 14.6239] + - [6.68631, 0.0124862, -7.08202e-06, 2.13462e-09, -2.59313e-13, 1.31815e+04, + -9.41792] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 439.672 + diameter: 5.934 + note: Epsilon & sigma estimated with Tc=571.00 K, Pc=39.71 bar (from + Joback method) + note: NON(239) +- name: N2O2(274) + composition: {N: 2, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 829.99, 2500.0] + data: + - [3.66063, 0.0236523, -4.07459e-05, 3.20989e-08, -9.57389e-12, 1.87466e+04, + 6.81545] + - [8.16, 1.96827e-03, -1.55749e-06, 6.21844e-10, -9.27433e-14, 1.79997e+04, + -14.053] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 531.4 + diameter: 4.687 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: O=NN=O(274) +- name: O1O[N]1(277) + composition: {N: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1120.15, 2500.0] + data: + - [2.2074, 0.0124306, -1.4031e-05, 7.58575e-09, -1.60229e-12, 4.13078e+04, + 13.6722] + - [4.5525, 4.05638e-03, -2.81708e-06, 9.11697e-10, -1.12752e-13, 4.07824e+04, + 2.09241] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 392.823 + diameter: 5.426 + note: Epsilon & sigma estimated with Tc=510.16 K, Pc=46.4 bar (from + Joback method) + note: O1O[N]1(277) +- name: H2N2O2(289) + composition: {H: 2, N: 2, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 847.47, 2500.0] + data: + - [4.61618, 0.0204155, -2.21054e-05, 1.38771e-08, -3.71661e-12, 4136.34, + 4.0168] + - [6.40216, 0.0119858, -7.18519e-06, 2.14008e-09, -2.54263e-13, 3833.63, + -4.30397] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 531.4 + diameter: 4.687 + note: Epsilon & sigma estimated with fixed Lennard Jones Parameters. + This is the fallback method! Try improving transport databases! + note: ONN=O(289) +- name: NNO[O](309) + composition: {H: 3, N: 2, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1127.37, 2500.0] + data: + - [3.17919, 0.021183, -1.41801e-05, 4.69103e-09, -5.69292e-13, 2.66418e+04, + 13.584] + - [4.95718, 0.0160167, -8.82585e-06, 2.42348e-09, -2.65735e-13, 2.61684e+04, + 4.47117] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 478.723 + diameter: 6.388 + note: Epsilon & sigma estimated with Tc=621.72 K, Pc=34.64 bar (from + Joback method) + note: NNO[O](309) +- name: N[N]O(355) + composition: {H: 3, N: 2, O: 1} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1014.83, 2500.0] + data: + - [1.81948, 0.0227117, -1.62501e-05, 3.7015e-09, 3.93916e-13, 1.52857e+04, + 17.1085] + - [4.82741, 0.0146562, -9.96086e-06, 3.2601e-09, -4.06393e-13, 1.44795e+04, + 1.58854] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 461.8 + diameter: 6.195 + note: Epsilon & sigma estimated with Tc=599.74 K, Pc=36.64 bar (from + Joback method) + note: N[N]O(355) +- name: O[N]O(449) + composition: {H: 2, N: 1, O: 2} + thermo: + model: NASA7 + temperature-ranges: [298.0, 1121.51, 2500.0] + data: + - [1.95838, 0.0222963, -2.49871e-05, 1.36854e-08, -2.91388e-12, -1458.84, + 16.2336] + - [6.28102, 6.87946e-03, -4.36772e-06, 1.42876e-09, -1.81778e-13, -2428.44, + -5.11647] + note: 'Thermo library: NH3' + transport: + model: gas + geometry: nonlinear + well-depth: 461.753 + diameter: 6.122 + note: Epsilon & sigma estimated with Tc=599.68 K, Pc=37.96 bar (from + Joback method) + note: O[N]O(449) + +reactions: +- equation: O2(3) + O2(3) + H2(4) <=> HO2(10) + HO2(10) # Reaction 1 + rate-constant: {A: 2.0e+17, b: 0.0, Ea: 25.83} + note: |- + Reaction index: Chemkin #1; RMG #46 + Library reaction: primaryH2O2 + Flux pairs: O2(3), HO2(10); H2(4), HO2(10); O2(3), HO2(10); +- equation: HO2(10) + NH2(16) <=> O2(3) + NH3(1) # Reaction 2 + rate-constant: {A: 6.04e+18, b: -1.91, Ea: 0.608} + note: |- + Reaction index: Chemkin #2; RMG #341 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), O2(3); NH2(16), NH3(1); +- equation: NO[O](227) <=> O2(3) + NH2(16) # Reaction 3 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [7.722, 0.1726, -0.08569, 0.0261] + - [0.184, -0.1347, 0.06056, -0.01277] + - [-0.1652, -0.01751, 0.013, -6.616e-03] + - [-0.04115, 6.041e-03, -1.195e-03, -9.999e-04] + - [-0.01068, 4.036e-03, -1.919e-03, 5.922e-04] + - [-2.518e-03, 1.011e-03, -6.122e-04, 3.918e-04] + note: |- + Reaction index: Chemkin #3; RMG #1810 + PDep reaction: PDepNetwork #58 + Flux pairs: NO[O](227), O2(3); NO[O](227), NH2(16); +- equation: HO2(10) + HO2(10) <=> O2(3) + H2O2(11) # Reaction 4 + rate-constant: {A: 0.0193, b: 4.12, Ea: -9.857} + note: |- + Reaction index: Chemkin #4; RMG #33 + Library reaction: primaryH2O2 + Flux pairs: HO2(10), H2O2(11); HO2(10), O2(3); +- equation: HO2(10) + NH3(1) <=> H2O2(11) + NH2(16) # Reaction 5 + rate-constant: {A: 0.132333, b: 4.138, Ea: 18.41} + note: |- + Reaction index: Chemkin #5; RMG #414 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), H2O2(11); NH3(1), NH2(16); +- equation: NH2(16) + NH2(16) (+M) <=> N2H4(22) (+M) # Reaction 6 + type: falloff + low-P-rate-constant: {A: 1.6e+34, b: -5.49, Ea: 1.987} + high-P-rate-constant: {A: 5.6e+14, b: -0.414, Ea: 0.066} + Troe: {A: 0.31, T3: 1.0e-30, T1: 1.0e+30} + efficiencies: {N2(2): 1.0, Ar: 0.5, O2(3): 0.61, NH3(1): 2.93} + note: |- + Reaction index: Chemkin #6; RMG #191 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2(16), N2H4(22); NH2(16), N2H4(22); + Reaction library: 'primaryNitrogenLibrary' +- equation: H2O2(11) (+M) <=> OH(7) + OH(7) (+M) # Reaction 7 + type: falloff + low-P-rate-constant: {A: 2.49e+24, b: -2.3, Ea: 48.75} + high-P-rate-constant: {A: 2.0e+12, b: 0.9, Ea: 48.75} + Troe: {A: 0.42, T3: 1.0e+30, T1: 1.0e+30} + efficiencies: {N2(2): 1.5, H2O(9): 7.5, H2O2(11): 7.7, H2(4): 3.7, O2(3): 1.2} + note: |- + Reaction index: Chemkin #7; RMG #23 + Library reaction: primaryH2O2 + Flux pairs: H2O2(11), OH(7); H2O2(11), OH(7); +- equation: O2(3) + H2(4) <=> OH(7) + OH(7) # Reaction 8 + rate-constant: {A: 2.04e+12, b: 0.44, Ea: 69.155} + note: |- + Reaction index: Chemkin #8; RMG #44 + Library reaction: primaryH2O2 + Flux pairs: O2(3), OH(7); H2(4), OH(7); +- equation: HO2(10) + HO2(10) <=> O2(3) + OH(7) + OH(7) # Reaction 9 + rate-constant: {A: 6.41e+17, b: -1.54, Ea: 16.971} + note: |- + Reaction index: Chemkin #9; RMG #50 + Library reaction: primaryH2O2 + Flux pairs: HO2(10), O2(3); HO2(10), OH(7); HO2(10), OH(7); +- equation: HO2(10) + NH2(16) <=> OH(7) + NH2O(93) # Reaction 10 + rate-constant: {A: 2.19e+09, b: 0.791, Ea: -2.838} + note: |- + Reaction index: Chemkin #10; RMG #342 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), NH2O(93); NH2(16), OH(7); +- equation: OH(7) + HO2(10) <=> O2(3) + H2O(9) # Reaction 11 + rate-constant: {A: 2.14e+06, b: 1.65, Ea: 2.18} + note: |- + Reaction index: Chemkin #11; RMG #17 + Library reaction: primaryH2O2 + Flux pairs: HO2(10), O2(3); OH(7), H2O(9); +- equation: OH(7) + H2O(9) <=> HO2(10) + H2(4) # Reaction 12 + rate-constant: {A: 7.9e+09, b: 0.43, Ea: 71.7} + note: |- + Reaction index: Chemkin #12; RMG #22 + Library reaction: primaryH2O2 + Flux pairs: H2O(9), HO2(10); OH(7), H2(4); +- equation: OH(7) + H2O2(11) <=> HO2(10) + H2O(9) # Reaction 13 + duplicate: true + rate-constant: {A: 1.74e+12, b: 0.0, Ea: 0.318} + note: |- + Reaction index: Chemkin #13; RMG #27 + Library reaction: primaryH2O2 +- equation: OH(7) + H2O2(11) <=> HO2(10) + H2O(9) # Reaction 14 + duplicate: true + rate-constant: {A: 7.59e+13, b: 0.0, Ea: 7.269} + note: |- + Reaction index: Chemkin #14; RMG #27 + Library reaction: primaryH2O2 +- equation: OH(7) + NH3(1) <=> H2O(9) + NH2(16) # Reaction 15 + rate-constant: {A: 2.0e+06, b: 2.04, Ea: 0.566} + note: |- + Reaction index: Chemkin #15; RMG #255 + Library reaction: primaryNitrogenLibrary + Flux pairs: OH(7), H2O(9); NH3(1), NH2(16); +- equation: OH(7) + NH2O(93) <=> NH2OOH(133) # Reaction 16 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.098692 atm, A: 6.07e+24, b: -5.64, Ea: 2.715} + - {P: 0.986923 atm, A: 3.37e+26, b: -5.84, Ea: 2.589} + - {P: 9.869233 atm, A: 2.18e+28, b: -6.07, Ea: 3.036} + - {P: 98.692327 atm, A: 1.98e+29, b: -6.02, Ea: 3.835} + - {P: 296.07698 atm, A: 1.48e+29, b: -5.82, Ea: 4.215} + note: |- + Reaction index: Chemkin #16; RMG #387 + Library reaction: primaryNitrogenLibrary + Flux pairs: OH(7), NH2OOH(133); NH2O(93), NH2OOH(133); +- equation: NH2(16) + NH2OOH(133) <=> NO[O](227) + NH3(1) # Reaction 17 + rate-constant: {A: 9.2e+05, b: 1.94, Ea: 2.785} + note: |- + Reaction index: Chemkin #17; RMG #1799 + Template reaction: H_Abstraction + Flux pairs: NH2OOH(133), NO[O](227); NH2(16), NH3(1); + Estimated using template [O_sec;NH2_rad] for rate rule [O/H/NonDeO;NH2_rad] + Euclidian distance = 1.0 + family: H_Abstraction +- equation: HO2(10) + NO[O](227) <=> O2(3) + NH2OOH(133) # Reaction 18 + rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3.275} + note: |- + Reaction index: Chemkin #18; RMG #1807 + Template reaction: H_Abstraction + Flux pairs: NO[O](227), NH2OOH(133); HO2(10), O2(3); + From training reaction 404 used for Orad_O_H;O_rad/NonDeO + Exact match found for rate rule [Orad_O_H;O_rad/NonDeO] + Euclidian distance = 0 + family: H_Abstraction +- equation: HO2(10) + NH2OOH(133) <=> H2O2(11) + NO[O](227) # Reaction 19 + rate-constant: {A: 4.1e+04, b: 2.5, Ea: 10.206} + note: |- + Reaction index: Chemkin #19; RMG #1814 + Template reaction: H_Abstraction + Flux pairs: NH2OOH(133), NO[O](227); HO2(10), H2O2(11); + From training reaction 208 used for O/H/NonDeO;O_rad/NonDeO + Exact match found for rate rule [O/H/NonDeO;O_rad/NonDeO] + Euclidian distance = 0 + family: H_Abstraction +- equation: HO2(10) + NH2(16) <=> NH2OOH(133) # Reaction 20 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.58, 0.7688, -0.1201, -3.394e-03] + - [-0.6735, 0.4214, 0.02682, -0.01356] + - [-0.1905, 0.04929, 0.02171, 2.668e-03] + - [-0.0465, -9.647e-04, 2.592e-03, 1.633e-03] + - [-9.408e-03, -2.186e-03, -4.624e-04, 1.275e-04] + - [-9.496e-04, -8.392e-04, -2.789e-04, -5.209e-05] + note: |- + Reaction index: Chemkin #20; RMG #1824 + PDep reaction: PDepNetwork #57 + Flux pairs: HO2(10), NH2OOH(133); NH2(16), NH2OOH(133); +- equation: OH(7) + NH2OOH(133) <=> H2O(9) + NO[O](227) # Reaction 21 + rate-constant: {A: 1.1e+12, b: 0.0, Ea: -0.437} + note: |- + Reaction index: Chemkin #21; RMG #1860 + Template reaction: H_Abstraction + Flux pairs: NH2OOH(133), NO[O](227); OH(7), H2O(9); + From training reaction 206 used for O/H/NonDeO;O_pri_rad + Exact match found for rate rule [O/H/NonDeO;O_pri_rad] + Euclidian distance = 0 + family: H_Abstraction + Ea raised from -1.8 to -1.8 kJ/mol. +- equation: O2(3) + NH2(16) <=> OH(7) + HNO(63) # Reaction 22 + rate-constant: {A: 0.029, b: 3.764, Ea: 18.185} + note: |- + Reaction index: Chemkin #22; RMG #237 + Library reaction: primaryNitrogenLibrary + Flux pairs: O2(3), HNO(63); NH2(16), OH(7); +- equation: HO2(10) + NH2(16) <=> HNO(63) + H2O(9) # Reaction 23 + rate-constant: {A: 1.02e+12, b: 0.166, Ea: -1.864} + note: |- + Reaction index: Chemkin #23; RMG #338 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), HNO(63); NH2(16), H2O(9); +- equation: OH(7) + NH2O(93) <=> HNO(63) + H2O(9) # Reaction 24 + rate-constant: {A: 2.14e+15, b: -0.751, Ea: -0.922} + note: |- + Reaction index: Chemkin #24; RMG #386 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2O(93), HNO(63); OH(7), H2O(9); +- equation: NH2(16) + NH2O(93) <=> HNO(63) + NH3(1) # Reaction 25 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: -0.58} + note: |- + Reaction index: Chemkin #25; RMG #389 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2O(93), HNO(63); NH2(16), NH3(1); +- equation: HO2(10) + HNO(63) <=> O2(3) + NH2O(93) # Reaction 26 + rate-constant: {A: 4.47159e-03, b: 3.944, Ea: 4.336} + note: |- + Reaction index: Chemkin #26; RMG #449 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), O2(3); HNO(63), NH2O(93); +- equation: HO2(10) + NH2O(93) <=> HNO(63) + H2O2(11) # Reaction 27 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: -1.6} + note: |- + Reaction index: Chemkin #27; RMG #1040 + Library reaction: NOx2018 + Flux pairs: HO2(10), H2O2(11); NH2O(93), HNO(63); +- equation: NO[O](227) <=> OH(7) + HNO(63) # Reaction 28 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [0.168, 1.059, -0.1431, -0.01336] + - [5.782, 0.1835, 0.05175, -2.132e-03] + - [-0.03591, 0.01015, 5.21e-03, 1.896e-03] + - [-7.848e-03, 1.701e-03, 4.643e-04, 8.325e-05] + - [-4.019e-03, 1.63e-03, 3.472e-04, -4.136e-05] + - [-1.567e-03, 4.577e-04, 1.262e-04, 9.969e-06] + note: |- + Reaction index: Chemkin #28; RMG #1813 + PDep reaction: PDepNetwork #58 + Flux pairs: NO[O](227), OH(7); NO[O](227), HNO(63); +- equation: NH2O(93) + NO[O](227) <=> HNO(63) + NH2OOH(133) # Reaction 29 + rate-constant: {A: 5.8e+04, b: 2.69, Ea: 0.037} + note: |- + Reaction index: Chemkin #29; RMG #1839 + Template reaction: Disproportionation + Flux pairs: NH2O(93), HNO(63); NO[O](227), NH2OOH(133); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N + Multiplied by reaction path degeneracy 2.0 +- equation: H(5) + H(5) + M <=> H2(4) + M # Reaction 30 + type: three-body + rate-constant: {A: 7.0e+17, b: -1.0, Ea: 0.0} + efficiencies: {Ar: 0.0, N2(2): 0.0, H(5): 0.0, H2(4): 0.0, O2(3): 0.0, + H2O(9): 14.3} + note: |- + Reaction index: Chemkin #30; RMG #1 + Library reaction: primaryH2O2 + Flux pairs: H(5), H2(4); H(5), H2(4); +- equation: O2(3) + H(5) + H(5) <=> O2(3) + H2(4) # Reaction 31 + rate-constant: {A: 8.8e+22, b: -1.835, Ea: 0.8} + note: |- + Reaction index: Chemkin #31; RMG #2 + Library reaction: primaryH2O2 + Flux pairs: O2(3), O2(3); H(5), H2(4); H(5), H2(4); +- equation: Ar + H2(4) <=> Ar + H(5) + H(5) # Reaction 32 + rate-constant: {A: 5.84e+18, b: -1.1, Ea: 104.38} + note: |- + Reaction index: Chemkin #32; RMG #3 + Library reaction: primaryH2O2 + Flux pairs: H2(4), H(5); Ar, Ar; Ar, H(5); +- equation: H(5) + H(5) + H2(4) <=> H2(4) + H2(4) # Reaction 33 + rate-constant: {A: 1.0e+17, b: -0.6, Ea: 0.0} + note: |- + Reaction index: Chemkin #33; RMG #5 + Library reaction: primaryH2O2 + Flux pairs: H2(4), H2(4); H(5), H2(4); H(5), H2(4); +- equation: N2(2) + H(5) + H(5) <=> N2(2) + H2(4) # Reaction 34 + rate-constant: {A: 5.4e+18, b: -1.3, Ea: 0.0} + note: |- + Reaction index: Chemkin #34; RMG #6 + Library reaction: primaryH2O2 + Flux pairs: N2(2), N2(2); H(5), H2(4); H(5), H2(4); +- equation: H(5) + H(5) + H(5) <=> H(5) + H2(4) # Reaction 35 + rate-constant: {A: 3.2e+15, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #35; RMG #7 + Library reaction: primaryH2O2 + Flux pairs: H(5), H2(4); H(5), H(5); H(5), H(5); +- equation: O2(3) + H(5) + H(5) <=> OH(7) + OH(7) # Reaction 36 + rate-constant: {A: 4.0e+22, b: -1.835, Ea: 0.8} + note: |- + Reaction index: Chemkin #36; RMG #8 + Library reaction: primaryH2O2 + Flux pairs: O2(3), OH(7); H(5), OH(7); H(5), OH(7); +- equation: H2O(9) + M <=> H(5) + OH(7) + M # Reaction 37 + type: three-body + rate-constant: {A: 6.06e+27, b: -3.312, Ea: 120.77} + efficiencies: {N2(2): 2.0, H2O(9): 0.0, H2(4): 3.0, O2(3): 0.0} + note: |- + Reaction index: Chemkin #37; RMG #11 + Library reaction: primaryH2O2 + Flux pairs: H2O(9), H(5); H2O(9), OH(7); +- equation: H2O(9) + H2O(9) <=> H(5) + OH(7) + H2O(9) # Reaction 38 + rate-constant: {A: 1.0e+26, b: -2.44, Ea: 120.16} + note: |- + Reaction index: Chemkin #38; RMG #12 + Library reaction: primaryH2O2 + Flux pairs: H2O(9), H2O(9); H2O(9), H(5); H2O(9), OH(7); +- equation: O2(3) + H(5) + OH(7) <=> O2(3) + H2O(9) # Reaction 39 + rate-constant: {A: 2.56e+22, b: -1.835, Ea: 0.8} + note: |- + Reaction index: Chemkin #39; RMG #13 + Library reaction: primaryH2O2 + Flux pairs: O2(3), O2(3); H(5), H2O(9); OH(7), H2O(9); +- equation: O2(3) + H(5) (+M) <=> HO2(10) (+M) # Reaction 40 + type: falloff + low-P-rate-constant: {A: 1.225e+19, b: -1.2, Ea: 0.0} + high-P-rate-constant: {A: 4.66e+12, b: 0.44, Ea: 0.0} + Troe: {A: 0.0, T3: 1750.0, T1: 1.0e-10, T2: 1.0e+30} + efficiencies: {H2(4): 1.5, Ar: 0.72, H2O(9): 16.6} + note: |- + Reaction index: Chemkin #40; RMG #14 + Library reaction: primaryH2O2 + Flux pairs: O2(3), HO2(10); H(5), HO2(10); +- equation: H(5) + H2O2(11) <=> HO2(10) + H2(4) # Reaction 41 + rate-constant: {A: 5.02e+06, b: 2.07, Ea: 4.3} + note: |- + Reaction index: Chemkin #41; RMG #24 + Library reaction: primaryH2O2 + Flux pairs: H2O2(11), HO2(10); H(5), H2(4); +- equation: H(5) + H2O2(11) <=> OH(7) + H2O(9) # Reaction 42 + rate-constant: {A: 2.03e+07, b: 2.02, Ea: 2.62} + note: |- + Reaction index: Chemkin #42; RMG #25 + Library reaction: primaryH2O2 + Flux pairs: H2O2(11), H2O(9); H(5), OH(7); +- equation: OH(7) + H2(4) <=> H(5) + H2O(9) # Reaction 43 + rate-constant: {A: 2.14e+08, b: 1.52, Ea: 3.45} + note: |- + Reaction index: Chemkin #43; RMG #29 + Library reaction: primaryH2O2 + Flux pairs: OH(7), H2O(9); H2(4), H(5); +- equation: H(5) + HO2(10) <=> OH(7) + OH(7) # Reaction 44 + rate-constant: {A: 7.079e+13, b: 0.0, Ea: 0.295} + note: |- + Reaction index: Chemkin #44; RMG #31 + Library reaction: primaryH2O2 + Flux pairs: HO2(10), OH(7); H(5), OH(7); +- equation: O2(3) + H2(4) <=> H(5) + HO2(10) # Reaction 45 + rate-constant: {A: 7.4e+05, b: 2.43, Ea: 53.5} + note: |- + Reaction index: Chemkin #45; RMG #32 + Library reaction: primaryH2O2 + Flux pairs: O2(3), HO2(10); H2(4), H(5); +- equation: H(5) + HO2(10) + M <=> H2O2(11) + M # Reaction 46 + type: three-body + rate-constant: {A: 6.0e+14, b: 1.25, Ea: -0.27} + note: |- + Reaction index: Chemkin #46; RMG #48 + Library reaction: primaryH2O2 + Flux pairs: H(5), H2O2(11); HO2(10), H2O2(11); +- equation: H(5) + NH2(16) (+M) <=> NH3(1) (+M) # Reaction 47 + 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} + efficiencies: {N2(2): 1.0, Ar: 0.32, O2(3): 0.5, NH3(1): 4.39} + note: |- + Reaction index: Chemkin #47; RMG #178 + Library reaction: primaryNitrogenLibrary + Flux pairs: H(5), NH3(1); NH2(16), NH3(1); +- equation: H(5) + NH3(1) <=> H2(4) + NH2(16) # Reaction 48 + rate-constant: {A: 6.4e+05, b: 2.39, Ea: 10.171} + note: |- + Reaction index: Chemkin #48; RMG #254 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH3(1), NH2(16); H(5), H2(4); +- equation: H(5) + HNO(63) <=> NH2O(93) # Reaction 49 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.009869 atm, A: 5.67e+23, b: -4.59, Ea: 5.69} + - {P: 0.098692 atm, A: 5.69e+25, b: -4.8, Ea: 4.233} + - {P: 0.986923 atm, A: 2.68e+27, b: -4.94, Ea: 4.849} + - {P: 9.869233 atm, A: 2.55e+27, b: -4.63, Ea: 5.539} + - {P: 98.692327 atm, A: 4.84e+25, b: -3.87, Ea: 5.867} + note: |- + Reaction index: Chemkin #49; RMG #475 + Library reaction: primaryNitrogenLibrary + Flux pairs: H(5), NH2O(93); HNO(63), NH2O(93); +- equation: H(5) + NH2O(93) <=> HNO(63) + H2(4) # Reaction 50 + rate-constant: {A: 3.0e+07, b: 2.0, Ea: 2.0} + note: |- + Reaction index: Chemkin #50; RMG #1037 + Library reaction: NOx2018 + Flux pairs: NH2O(93), HNO(63); H(5), H2(4); +- equation: H(5) + NH2O(93) <=> OH(7) + NH2(16) # Reaction 51 + rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #51; RMG #1038 + Library reaction: NOx2018 + Flux pairs: NH2O(93), OH(7); H(5), NH2(16); +- equation: H(5) + N2H4(22) <=> NH2(16) + NH3(1) # Reaction 52 + rate-constant: {A: 2.3e+05, b: 1.42, Ea: 8.202} + note: |- + Reaction index: Chemkin #52; RMG #1070 + Library reaction: NOx2018 + Flux pairs: N2H4(22), NH3(1); H(5), NH2(16); +- equation: H(5) + NH2OOH(133) <=> H2(4) + NO[O](227) # Reaction 53 + rate-constant: {A: 5.4e+10, b: 0.0, Ea: 1.86} + note: |- + Reaction index: Chemkin #53; RMG #1803 + Template reaction: H_Abstraction + Flux pairs: NH2OOH(133), NO[O](227); H(5), H2(4); + From training reaction 203 used for O/H/NonDeO;H_rad + Exact match found for rate rule [O/H/NonDeO;H_rad] + Euclidian distance = 0 + family: H_Abstraction +- equation: H(5) + NO[O](227) <=> HO2(10) + NH2(16) # Reaction 54 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [13.42, -0.01456, -8.798e-03, -4.021e-03] + - [0.3198, 0.01415, 8.496e-03, 3.837e-03] + - [0.04213, -1.926e-03, -1.118e-03, -4.722e-04] + - [7.775e-03, -6.191e-05, -4.831e-05, -3.119e-05] + - [1.484e-03, -2.191e-05, -1.282e-05, -5.533e-06] + - [2.67e-04, -1.193e-05, -7.277e-06, -3.378e-06] + note: |- + Reaction index: Chemkin #54; RMG #1959 + PDep reaction: PDepNetwork #89 + Flux pairs: NO[O](227), HO2(10); H(5), NH2(16); +- equation: H(5) + NO[O](227) <=> NH2OOH(133) # Reaction 55 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.74, 1.485, -8.901e-03, -4.067e-03] + - [-0.2304, 0.01424, 8.549e-03, 3.86e-03] + - [-0.03932, -1.907e-03, -1.106e-03, -4.661e-04] + - [-6.27e-03, -6.153e-05, -4.805e-05, -3.104e-05] + - [7.189e-04, -2.31e-05, -1.354e-05, -5.874e-06] + - [1.58e-03, -1.256e-05, -7.661e-06, -3.558e-06] + note: |- + Reaction index: Chemkin #55; RMG #1958 + PDep reaction: PDepNetwork #89 + Flux pairs: H(5), NH2OOH(133); NO[O](227), NH2OOH(133); +- equation: HNO(63) + NH2(16) <=> NO(28) + NH3(1) # Reaction 56 + rate-constant: {A: 590.0, b: 2.95, Ea: -3.469} + note: |- + Reaction index: Chemkin #56; RMG #230 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO(63), NO(28); NH2(16), NH3(1); +- equation: NO(28) + NH2(16) <=> N2(2) + H2O(9) # Reaction 57 + rate-constant: {A: 2.6e+19, b: -2.369, Ea: 0.87} + note: |- + Reaction index: Chemkin #57; RMG #232 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), H2O(9); NH2(16), N2(2); +- equation: O2(3) + HNO(63) <=> NO(28) + HO2(10) # Reaction 58 + rate-constant: {A: 2.0e+13, b: 0.0, Ea: 16.0} + note: |- + Reaction index: Chemkin #58; RMG #339 + Library reaction: primaryNitrogenLibrary + Flux pairs: O2(3), HO2(10); HNO(63), NO(28); +- equation: NO(28) + H(5) (+M) <=> HNO(63) (+M) # Reaction 59 + type: falloff + low-P-rate-constant: {A: 2.4e+14, b: 0.206, Ea: -1.55} + 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(2): 1.6} + note: |- + Reaction index: Chemkin #59; RMG #391 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), HNO(63); H(5), HNO(63); + Reaction library: 'primaryNitrogenLibrary' +- equation: NO(28) + NH2O(93) <=> HNO(63) + HNO(63) # Reaction 60 + rate-constant: {A: 0.0176994, b: 4.038, Ea: 20.234} + note: |- + Reaction index: Chemkin #60; RMG #432 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2O(93), HNO(63); NO(28), HNO(63); +- equation: H(5) + HNO(63) <=> NO(28) + H2(4) # Reaction 61 + rate-constant: {A: 1.66e+10, b: 1.18, Ea: -0.446} + note: |- + Reaction index: Chemkin #61; RMG #473 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO(63), NO(28); H(5), H2(4); +- equation: NH2O(93) <=> NO(28) + H2(4) # Reaction 62 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.009869 atm, A: 1.57e+27, b: -5.28, Ea: 61.56} + - {P: 0.098692 atm, A: 1.79e+28, b: -5.32, Ea: 63.29} + - {P: 0.986923 atm, A: 1.42e+28, b: -5.05, Ea: 64.35} + - {P: 9.869233 atm, A: 4.66e+26, b: -4.39, Ea: 64.83} + - {P: 98.692327 atm, A: 1.65e+23, b: -3.18, Ea: 64.22} + note: |- + Reaction index: Chemkin #62; RMG #478 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2O(93), NO(28); NH2O(93), H2(4); +- equation: OH(7) + HNO(63) <=> NO(28) + H2O(9) # Reaction 63 + rate-constant: {A: 1.2e+09, b: 1.189, Ea: 0.334} + note: |- + Reaction index: Chemkin #63; RMG #1050 + Library reaction: NOx2018 + Flux pairs: HNO(63), NO(28); OH(7), H2O(9); +- equation: HO2(10) + HNO(63) <=> NO(28) + H2O2(11) # Reaction 64 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1.19} + note: |- + Reaction index: Chemkin #64; RMG #1881 + Template reaction: H_Abstraction + Flux pairs: HO2(10), H2O2(11); HNO(63), NO(28); + Estimated using template [N3d/H/NonDe;O_rad] for rate rule [N3d/H/NonDeO;O_rad/NonDeO] + Euclidian distance = 2.23606797749979 + family: H_Abstraction +- equation: HNO(63) + NO[O](227) <=> NO(28) + NH2OOH(133) # Reaction 65 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1.19} + note: |- + Reaction index: Chemkin #65; RMG #1884 + Template reaction: H_Abstraction + Flux pairs: NO[O](227), NH2OOH(133); HNO(63), NO(28); + Estimated using template [N3d/H/NonDe;O_rad] for rate rule [N3d/H/NonDeO;O_rad/NonDeO] + Euclidian distance = 2.23606797749979 + family: H_Abstraction +- equation: O(8) + H(5) + M <=> OH(7) + M # Reaction 66 + type: three-body + rate-constant: {A: 6.75e+18, b: -1.0, Ea: 0.0} + efficiencies: {H2O(9): 5.0, H2(4): 2.5, Ar: 0.75, O2(3): 0.0} + note: |- + Reaction index: Chemkin #66; RMG #9 + Library reaction: primaryH2O2 + Flux pairs: O(8), OH(7); H(5), OH(7); +- equation: O(8) + O2(3) + H(5) <=> O2(3) + OH(7) # Reaction 67 + rate-constant: {A: 7.35e+22, b: -1.835, Ea: 0.8} + note: |- + Reaction index: Chemkin #67; RMG #10 + Library reaction: primaryH2O2 + Flux pairs: O2(3), O2(3); H(5), OH(7); O(8), OH(7); +- equation: O2(3) + H(5) <=> O(8) + OH(7) # Reaction 68 + rate-constant: {A: 1.04e+14, b: 0.0, Ea: 15.286} + note: |- + Reaction index: Chemkin #68; RMG #15 + Library reaction: primaryH2O2 + Flux pairs: O2(3), OH(7); H(5), O(8); +- equation: OH(7) + OH(7) <=> O(8) + H2O(9) # Reaction 69 + rate-constant: {A: 2.668e+06, b: 1.82, Ea: -1.647} + note: |- + Reaction index: Chemkin #69; RMG #16 + Library reaction: primaryH2O2 + Flux pairs: OH(7), H2O(9); OH(7), O(8); +- equation: O(8) + O(8) + M <=> O2(3) + M # Reaction 70 + type: three-body + rate-constant: {A: 1.0e+17, b: -1.0, Ea: 0.0} + efficiencies: {Ar: 0.0, N2(2): 2.0, NO(28): 2.0, N(27): 2.0, H2O(9): 5.0, + O3(12): 8.0, O(8): 28.8, O2(3): 8.0} + note: |- + Reaction index: Chemkin #70; RMG #18 + Library reaction: primaryH2O2 + Flux pairs: O(8), O2(3); O(8), O2(3); +- equation: Ar + O(8) + O(8) <=> Ar + O2(3) # Reaction 71 + rate-constant: {A: 1.886e+13, b: 0.0, Ea: -1.788} + note: |- + Reaction index: Chemkin #71; RMG #19 + Library reaction: primaryH2O2 + Flux pairs: O(8), O2(3); Ar, Ar; O(8), Ar; +- equation: O(8) + H2O(9) <=> H(5) + HO2(10) # Reaction 72 + rate-constant: {A: 2.2e+08, b: 2.0, Ea: 61.6} + note: |- + Reaction index: Chemkin #72; RMG #21 + Library reaction: primaryH2O2 + Flux pairs: H2O(9), HO2(10); O(8), H(5); +- equation: O(8) + H2O2(11) <=> OH(7) + HO2(10) # Reaction 73 + rate-constant: {A: 9.55e+06, b: 2.0, Ea: 3.97} + note: |- + Reaction index: Chemkin #73; RMG #26 + Library reaction: primaryH2O2 + Flux pairs: H2O2(11), HO2(10); O(8), OH(7); +- equation: O(8) + H2(4) <=> H(5) + OH(7) # Reaction 74 + rate-constant: {A: 5.08e+04, b: 2.67, Ea: 6.292} + note: |- + Reaction index: Chemkin #74; RMG #28 + Library reaction: primaryH2O2 + Flux pairs: O(8), OH(7); H2(4), H(5); +- equation: O(8) + HO2(10) <=> O2(3) + OH(7) # Reaction 75 + rate-constant: {A: 2.85e+10, b: 1.0, Ea: -0.724} + note: |- + Reaction index: Chemkin #75; RMG #30 + Library reaction: primaryH2O2 + Flux pairs: HO2(10), O2(3); O(8), OH(7); +- equation: O2(3) + H2(4) <=> O(8) + H2O(9) # Reaction 76 + rate-constant: {A: 3.0e+13, b: 0.0, Ea: 69.545} + note: |- + Reaction index: Chemkin #76; RMG #45 + Library reaction: primaryH2O2 + Flux pairs: O2(3), H2O(9); H2(4), O(8); +- equation: O(8) + OH(7) + M <=> HO2(10) + M # Reaction 77 + type: three-body + rate-constant: {A: 1.0e+15, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #77; RMG #47 + Library reaction: primaryH2O2 + Flux pairs: O(8), HO2(10); OH(7), HO2(10); +- equation: O(8) + H2O2(11) <=> O2(3) + H2O(9) # Reaction 78 + rate-constant: {A: 8.43e+11, b: 0.0, Ea: 3.97} + note: |- + Reaction index: Chemkin #78; RMG #49 + Library reaction: primaryH2O2 + Flux pairs: H2O2(11), O2(3); O(8), H2O(9); +- equation: O2(3) + NH2(16) <=> O(8) + NH2O(93) # Reaction 79 + rate-constant: {A: 2.6e+11, b: 0.487, Ea: 29.05} + note: |- + Reaction index: Chemkin #79; RMG #236 + Library reaction: primaryNitrogenLibrary + Flux pairs: O2(3), NH2O(93); NH2(16), O(8); +- equation: O(8) + NH3(1) <=> OH(7) + NH2(16) # Reaction 80 + rate-constant: {A: 443.0, b: 3.18, Ea: 6.74} + note: |- + Reaction index: Chemkin #80; RMG #240 + Library reaction: primaryNitrogenLibrary + Flux pairs: O(8), OH(7); NH3(1), NH2(16); +- equation: O(8) + NH2(16) <=> H(5) + HNO(63) # Reaction 81 + rate-constant: {A: 2.78e+13, b: -0.065, Ea: -0.188} + note: |- + Reaction index: Chemkin #81; RMG #467 + Library reaction: primaryNitrogenLibrary + Flux pairs: O(8), HNO(63); NH2(16), H(5); +- equation: O(8) + NH2(16) <=> NO(28) + H2(4) # Reaction 82 + rate-constant: {A: 2.38e+12, b: 0.112, Ea: -0.347} + note: |- + Reaction index: Chemkin #82; RMG #469 + Library reaction: primaryNitrogenLibrary + Flux pairs: O(8), NO(28); NH2(16), H2(4); +- equation: O(8) + NH2O(93) <=> OH(7) + HNO(63) # Reaction 83 + rate-constant: {A: 3.0e+07, b: 2.0, Ea: 2.0} + note: |- + Reaction index: Chemkin #83; RMG #1039 + Library reaction: NOx2018 + Flux pairs: NH2O(93), HNO(63); O(8), OH(7); +- equation: O(8) + HNO(63) <=> NO(28) + OH(7) # Reaction 84 + rate-constant: {A: 2.3e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #84; RMG #1049 + Library reaction: NOx2018 + Flux pairs: HNO(63), NO(28); O(8), OH(7); +- equation: O(8) + NH2O(93) <=> NO[O](227) # Reaction 85 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.37, 0.8142, -0.1355, 3.349e-03] + - [-0.06591, 0.1766, 0.05199, -0.01053] + - [-0.05133, 0.03803, 2.692e-03, -6.493e-04] + - [-0.01105, 7.446e-03, -1.3e-03, 5.627e-04] + - [-3.311e-03, 1.768e-03, -8.324e-05, 2.334e-04] + - [-1.156e-03, 2.945e-04, 1.678e-04, 1.422e-05] + note: |- + Reaction index: Chemkin #85; RMG #2000 + PDep reaction: PDepNetwork #102 + Flux pairs: O(8), NO[O](227); NH2O(93), NO[O](227); +- equation: O(8) + NH2(16) <=> NH2O(93) # Reaction 86 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.06, 1.272, -0.1085, -0.02933] + - [-0.2173, 0.1385, 0.05726, 9.038e-03] + - [-0.08169, 9.096e-03, 6.799e-03, 3.435e-03] + - [-0.02327, -3.236e-04, 2.391e-04, 4.15e-04] + - [-6.234e-03, -3.136e-04, -1.242e-04, -4.05e-07] + - [-1.612e-03, -9.216e-05, -4.785e-05, -1.413e-05] + note: |- + Reaction index: Chemkin #86; RMG #1998 + PDep reaction: PDepNetwork #101 + Flux pairs: O(8), NH2O(93); NH2(16), NH2O(93); +- equation: O(8) + NH2OOH(133) <=> OH(7) + NO[O](227) # Reaction 87 + rate-constant: {A: 8.7e+12, b: 0.0, Ea: 4.75} + note: |- + Reaction index: Chemkin #87; RMG #1856 + Template reaction: H_Abstraction + Flux pairs: NH2OOH(133), NO[O](227); O(8), OH(7); + From training reaction 205 used for O/H/NonDeO;O_atom_triplet + Exact match found for rate rule [O/H/NonDeO;O_atom_triplet] + Euclidian distance = 0 + family: H_Abstraction +- equation: NO2(60) + NH2(16) <=> NO(28) + NH2O(93) # Reaction 88 + rate-constant: {A: 8.6e+11, b: 0.11, Ea: -1.186} + note: |- + Reaction index: Chemkin #88; RMG #261 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), NH2O(93); NH2(16), NO(28); +- equation: NO2(60) (+M) <=> O(8) + NO(28) (+M) # Reaction 89 + type: falloff + low-P-rate-constant: {A: 3.98e+15, b: 0.0, Ea: 60.0} + high-P-rate-constant: {A: 3.98e+14, b: 0.0, Ea: 72.084} + note: |- + Reaction index: Chemkin #89; RMG #263 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), O(8); NO2(60), NO(28); + Reaction library: 'primaryNitrogenLibrary' +- equation: NO2(60) + NO2(60) <=> O2(3) + NO(28) + NO(28) # Reaction 90 + rate-constant: {A: 4.51e+12, b: 0.0, Ea: 27.6} + note: |- + Reaction index: Chemkin #90; RMG #264 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), O2(3); NO2(60), NO(28); NO2(60), NO(28); +- equation: NO2(60) + OH(7) <=> NO(28) + HO2(10) # Reaction 91 + rate-constant: {A: 2.0e+06, b: 2.0, Ea: 3.0} + note: |- + Reaction index: Chemkin #91; RMG #296 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HO2(10); OH(7), NO(28); +- equation: NO2(60) + H(5) <=> NO(28) + OH(7) # Reaction 92 + rate-constant: {A: 1.3e+14, b: 0.0, Ea: 0.362} + note: |- + Reaction index: Chemkin #92; RMG #392 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), NO(28); H(5), OH(7); +- equation: O(8) + NO2(60) <=> O2(3) + NO(28) # Reaction 93 + rate-constant: {A: 1.1e+14, b: -0.52, Ea: 0.0} + note: |- + Reaction index: Chemkin #93; RMG #1053 + Library reaction: NOx2018 + Flux pairs: NO2(60), O2(3); O(8), NO(28); +- equation: ONONO2(78) (+M) <=> NO2(60) + NO2(60) (+M) # Reaction 94 + type: falloff + low-P-rate-constant: {A: 6.14e+20, b: -0.63, Ea: 3.923} + high-P-rate-constant: {A: 1.69e+23, b: -2.43, Ea: 8.148} + note: |- + Reaction index: Chemkin #94; RMG #193 + Library reaction: primaryNitrogenLibrary + Flux pairs: ONONO2(78), NO2(60); ONONO2(78), NO2(60); + Reaction library: 'primaryNitrogenLibrary' +- equation: NH2OH(94) (+M) <=> OH(7) + NH2(16) (+M) # Reaction 95 + type: falloff + low-P-rate-constant: {A: 5.45e+37, b: -5.96, Ea: 66.79} + high-P-rate-constant: {A: 8.43e+43, b: -1.31, Ea: 64.087} + Troe: {A: 0.35, T3: 1.0e-30, T1: 1.0e+30} + note: |- + Reaction index: Chemkin #95; RMG #238 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2OH(94), OH(7); NH2OH(94), NH2(16); + Reaction library: 'primaryNitrogenLibrary' +- equation: OH(7) + NH2OH(94) <=> H2O(9) + NH2O(93) # Reaction 96 + rate-constant: {A: 1.53e+05, b: 2.28, Ea: -1.296} + note: |- + Reaction index: Chemkin #96; RMG #242 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2OH(94), NH2O(93); OH(7), H2O(9); +- equation: NH2(16) + NH2OH(94) <=> NH2O(93) + NH3(1) # Reaction 97 + rate-constant: {A: 9.45, b: 3.42, Ea: -1.013} + note: |- + Reaction index: Chemkin #97; RMG #244 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2OH(94), NH2O(93); NH2(16), NH3(1); +- equation: HNO(63) + NH2O(93) <=> NO(28) + NH2OH(94) # Reaction 98 + rate-constant: {A: 2.05244, b: 3.417, Ea: -0.928} + note: |- + Reaction index: Chemkin #98; RMG #427 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2O(93), NH2OH(94); HNO(63), NO(28); +- equation: H(5) + NH2OH(94) <=> H2(4) + NH2O(93) # Reaction 99 + rate-constant: {A: 2.4e+08, b: 1.5, Ea: 5.067} + note: |- + Reaction index: Chemkin #99; RMG #1032 + Library reaction: NOx2018 + Flux pairs: NH2OH(94), NH2O(93); H(5), H2(4); +- equation: O(8) + NH2OH(94) <=> OH(7) + NH2O(93) # Reaction 100 + rate-constant: {A: 1.7e+08, b: 1.5, Ea: 3.01} + note: |- + Reaction index: Chemkin #100; RMG #1034 + Library reaction: NOx2018 + Flux pairs: NH2OH(94), NH2O(93); O(8), OH(7); +- equation: HO2(10) + NH2OH(94) <=> H2O2(11) + NH2O(93) # Reaction 101 + rate-constant: {A: 1.4e+04, b: 2.69, Ea: 6.418} + note: |- + Reaction index: Chemkin #101; RMG #1036 + Library reaction: NOx2018 + Flux pairs: HO2(10), H2O2(11); NH2OH(94), NH2O(93); +- equation: HO2(10) + NH2O(93) <=> O2(3) + NH2OH(94) # Reaction 102 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: -1.599} + note: |- + Reaction index: Chemkin #102; RMG #1648 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: HO2(10), O2(3); NH2O(93), NH2OH(94); +- equation: NH2O(93) + NH2O(93) <=> HNO(63) + NH2OH(94) # Reaction 103 + rate-constant: {A: 4.8e+06, b: 2.0, Ea: 6.845} + note: |- + Reaction index: Chemkin #103; RMG #1845 + Template reaction: Disproportionation + Flux pairs: NH2O(93), HNO(63); NH2O(93), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C + Multiplied by reaction path degeneracy 2.0 +- equation: NO[O](227) + NH2OH(94) <=> NH2O(93) + NH2OOH(133) # Reaction 104 + rate-constant: {A: 1.4e+04, b: 2.69, Ea: 15.62} + note: |- + Reaction index: Chemkin #104; RMG #1868 + Template reaction: H_Abstraction + Flux pairs: NH2OH(94), NH2O(93); NO[O](227), NH2OOH(133); + From training reaction 717 used for O/H/NonDeN;O_rad/NonDeO + Exact match found for rate rule [O/H/NonDeN;O_rad/NonDeO] + Euclidian distance = 0 + family: H_Abstraction +- equation: H(5) + NH2O(93) <=> NH2OH(94) # Reaction 105 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-13.43, 1.5, 8.096e-16, 1.735e-16] + - [-0.2568, 1.525e-15, -2.153e-15, 3.383e-16] + - [-0.0915, -1.241e-15, 1.269e-15, -1.495e-15] + - [-0.02505, 1.201e-15, -8.09e-16, -5.412e-16] + - [-0.01219, -2.178e-15, -7.442e-17, -1.03e-15] + - [-9.6e-03, 1.129e-15, 5.367e-16, 5.031e-16] + note: |- + Reaction index: Chemkin #105; RMG #2113 + PDep reaction: PDepNetwork #90 + Flux pairs: H(5), NH2OH(94); NH2O(93), NH2OH(94); +- equation: NO2(60) + NH3(1) <=> HNO(63) + NH2O(93) # Reaction 106 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-17.11, -9.935e-05, -6.089e-05, -2.856e-05] + - [13.94, -2.013e-05, -1.234e-05, -5.784e-06] + - [0.127, 2.486e-05, 1.524e-05, 7.145e-06] + - [0.02482, 1.37e-06, 8.392e-07, 3.933e-07] + - [5.025e-03, -5.0e-06, -3.064e-06, -1.437e-06] + - [1.074e-03, 2.969e-06, 1.819e-06, 8.533e-07] + note: |- + Reaction index: Chemkin #106; RMG #2151 + PDep reaction: PDepNetwork #108 + Flux pairs: NO2(60), NH2O(93); NH3(1), HNO(63); +- equation: OH(7) + NH2(16) <=> NH(S)(72) + H2O(9) # Reaction 107 + rate-constant: {A: 6.54e+09, b: 2.145, Ea: 1.055} + note: |- + Reaction index: Chemkin #107; RMG #174 + Library reaction: primaryNitrogenLibrary + Flux pairs: OH(7), H2O(9); NH2(16), NH(S)(72); +- equation: H(5) + NH2(16) <=> NH(S)(72) + H2(4) # Reaction 108 + rate-constant: {A: 4.8e+08, b: 1.5, Ea: 7.934} + note: |- + Reaction index: Chemkin #108; RMG #1619 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: NH2(16), NH(S)(72); H(5), H2(4); +- equation: OH(7) + NH2OH(94) <=> H2O(9) + HNOH(76) # Reaction 109 + rate-constant: {A: 1.54e+04, b: 2.61, Ea: -3.537} + note: |- + Reaction index: Chemkin #109; RMG #241 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2OH(94), HNOH(76); OH(7), H2O(9); +- equation: NH2(16) + NH2OH(94) <=> HNOH(76) + NH3(1) # Reaction 110 + rate-constant: {A: 0.108, b: 4.0, Ea: -0.097} + note: |- + Reaction index: Chemkin #110; RMG #243 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2OH(94), HNOH(76); NH2(16), NH3(1); +- equation: HNO(63) + HNOH(76) <=> NO(28) + NH2OH(94) # Reaction 111 + rate-constant: {A: 0.156126, b: 3.857, Ea: -1.871} + note: |- + Reaction index: Chemkin #111; RMG #428 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNOH(76), NH2OH(94); HNO(63), NO(28); +- equation: O2(3) + HNOH(76) <=> HO2(10) + HNO(63) # Reaction 112 + rate-constant: {A: 3.76483e-04, b: 4.615, Ea: 18.134} + note: |- + Reaction index: Chemkin #112; RMG #448 + Library reaction: primaryNitrogenLibrary + Flux pairs: O2(3), HO2(10); HNOH(76), HNO(63); +- equation: H(5) + HNO(63) <=> HNOH(76) # Reaction 113 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.009869 atm, A: 7.01e+18, b: -3.18, Ea: 2.6} + - {P: 0.098692 atm, A: 7.09e+22, b: -3.95, Ea: 2.487} + - {P: 0.986923 atm, A: 4.89e+24, b: -4.14, Ea: 3.141} + - {P: 9.869233 atm, A: 3.57e+24, b: -3.79, Ea: 3.702} + - {P: 98.692327 atm, A: 1.03e+24, b: -3.36, Ea: 4.71} + note: |- + Reaction index: Chemkin #113; RMG #474 + Library reaction: primaryNitrogenLibrary + Flux pairs: H(5), HNOH(76); HNO(63), HNOH(76); +- equation: HNOH(76) <=> NO(28) + H2(4) # Reaction 114 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.009869 atm, A: 8.49e+25, b: -4.99, Ea: 53.14} + - {P: 0.098692 atm, A: 4.21e+27, b: -5.2, Ea: 55.17} + - {P: 0.986923 atm, A: 1.47e+28, b: -5.12, Ea: 56.56} + - {P: 9.869233 atm, A: 3.29e+27, b: -4.69, Ea: 57.52} + - {P: 98.692327 atm, A: 5.76e+24, b: -3.95, Ea: 58.19} + note: |- + Reaction index: Chemkin #114; RMG #476 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNOH(76), NO(28); HNOH(76), H2(4); +- equation: HNOH(76) <=> NH2O(93) # Reaction 115 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.009869 atm, A: 2.3e+25, b: -5.13, Ea: 39.08} + - {P: 0.098692 atm, A: 3.47e+26, b: -5.15, Ea: 41.21} + - {P: 0.986923 atm, A: 3.45e+27, b: -5.13, Ea: 43.28} + - {P: 9.869233 atm, A: 7.74e+27, b: -4.93, Ea: 45.06} + - {P: 98.692327 atm, A: 3.39e+26, b: -4.26, Ea: 45.96} + note: |- + Reaction index: Chemkin #115; RMG #477 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNOH(76), NH2O(93); +- equation: H(5) + NH2OH(94) <=> H2(4) + HNOH(76) # Reaction 116 + rate-constant: {A: 4.8e+08, b: 1.5, Ea: 6.249} + note: |- + Reaction index: Chemkin #116; RMG #1031 + Library reaction: NOx2018 + Flux pairs: NH2OH(94), HNOH(76); H(5), H2(4); +- equation: O(8) + NH2OH(94) <=> OH(7) + HNOH(76) # Reaction 117 + rate-constant: {A: 3.3e+08, b: 1.5, Ea: 3.865} + note: |- + Reaction index: Chemkin #117; RMG #1033 + Library reaction: NOx2018 + Flux pairs: NH2OH(94), HNOH(76); O(8), OH(7); +- equation: HO2(10) + NH2OH(94) <=> H2O2(11) + HNOH(76) # Reaction 118 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: 9.557} + note: |- + Reaction index: Chemkin #118; RMG #1035 + Library reaction: NOx2018 + Flux pairs: HO2(10), H2O2(11); NH2OH(94), HNOH(76); +- equation: H(5) + HNOH(76) <=> OH(7) + NH2(16) # Reaction 119 + rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #119; RMG #1041 + Library reaction: NOx2018 + Flux pairs: HNOH(76), OH(7); H(5), NH2(16); +- equation: H(5) + HNOH(76) <=> HNO(63) + H2(4) # Reaction 120 + rate-constant: {A: 4.8e+08, b: 1.5, Ea: 0.378} + note: |- + Reaction index: Chemkin #120; RMG #1042 + Library reaction: NOx2018 + Flux pairs: HNOH(76), HNO(63); H(5), H2(4); +- equation: O(8) + HNOH(76) <=> OH(7) + HNO(63) # Reaction 121 + duplicate: true + rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #121; RMG #1043 + Library reaction: NOx2018 +- equation: O(8) + HNOH(76) <=> OH(7) + HNO(63) # Reaction 122 + duplicate: true + rate-constant: {A: 3.3e+08, b: 1.5, Ea: -0.358} + note: |- + Reaction index: Chemkin #122; RMG #1043 + Library reaction: NOx2018 +- equation: OH(7) + HNOH(76) <=> HNO(63) + H2O(9) # Reaction 123 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1.192} + note: |- + Reaction index: Chemkin #123; RMG #1044 + Library reaction: NOx2018 + Flux pairs: HNOH(76), HNO(63); OH(7), H2O(9); +- equation: HO2(10) + HNOH(76) <=> HNO(63) + H2O2(11) # Reaction 124 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: -1.6} + note: |- + Reaction index: Chemkin #124; RMG #1045 + Library reaction: NOx2018 + Flux pairs: HO2(10), H2O2(11); HNOH(76), HNO(63); +- equation: HO2(10) + HNOH(76) <=> O2(3) + NH2OH(94) # Reaction 125 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: -1.6} + note: |- + Reaction index: Chemkin #125; RMG #1046 + Library reaction: NOx2018 + Flux pairs: HO2(10), O2(3); HNOH(76), NH2OH(94); +- equation: NH2(16) + HNOH(76) <=> HNO(63) + NH3(1) # Reaction 126 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: -1.152} + note: |- + Reaction index: Chemkin #126; RMG #1047 + Library reaction: NOx2018 + Flux pairs: HNOH(76), HNO(63); NH2(16), NH3(1); +- equation: HNOH(76) + NO[O](227) <=> HNO(63) + NH2OOH(133) # Reaction 127 + rate-constant: {A: 2.94e+04, b: 2.69, Ea: 0.023} + note: |- + Reaction index: Chemkin #127; RMG #1894 + Template reaction: Disproportionation + Flux pairs: NO[O](227), NH2OOH(133); HNOH(76), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N +- equation: NO(28) + HNOH(76) <=> HNO(63) + HNO(63) # Reaction 128 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 16.035} + note: |- + Reaction index: Chemkin #128; RMG #1900 + Template reaction: Disproportionation + Flux pairs: NO(28), HNO(63); HNOH(76), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: H(5) + HNOH(76) <=> H(5) + NH2O(93) # Reaction 129 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-12.95, -3.589e-16, -1.292e-16, -9.714e-17] + - [0.6459, 4.973e-16, 1.114e-15, 1.187e-15] + - [0.09614, 8.763e-16, -4.669e-16, 7.225e-16] + - [0.01014, 5.099e-16, -8.554e-16, 1.336e-15] + - [3.077e-03, 5.053e-17, 1.492e-15, 1.814e-16] + - [5.308e-03, -9.378e-17, -1.105e-15, -2.845e-16] + note: |- + Reaction index: Chemkin #129; RMG #2242 + PDep reaction: PDepNetwork #141 + Flux pairs: HNOH(76), NH2O(93); H(5), H(5); +- equation: NO[O](227) + NH2OH(94) <=> HNOH(76) + NH2OOH(133) # Reaction 130 + rate-constant: {A: 5.8e+04, b: 2.69, Ea: 9.56} + note: |- + Reaction index: Chemkin #130; RMG #2118 + Template reaction: H_Abstraction + Flux pairs: NO[O](227), NH2OOH(133); NH2OH(94), HNOH(76); + From training reaction 711 used for N3s/H2/NonDeO;O_rad/NonDeO + Exact match found for rate rule [N3s/H2/NonDeO;O_rad/NonDeO] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNOH(76) + NH2OH(94) <=> NH2O(93) + NH2OH(94) # Reaction 131 + rate-constant: {A: 9.2e+05, b: 1.94, Ea: 2.785} + note: |- + Reaction index: Chemkin #131; RMG #2119 + Template reaction: H_Abstraction + Flux pairs: NH2OH(94), NH2O(93); HNOH(76), NH2OH(94); + Estimated using template [O_sec;N3s_rad] for rate rule [O/H/NonDeN;N3s_rad_pri] + Euclidian distance = 1.4142135623730951 + family: H_Abstraction +- equation: HNOH(76) + NH2O(93) <=> HNO(63) + NH2OH(94) # Reaction 132 + duplicate: true + rate-constant: {A: 2.94e+04, b: 2.69, Ea: 0.773} + note: |- + Reaction index: Chemkin #132; RMG #2120 + Template reaction: Disproportionation + Flux pairs: NH2O(93), NH2OH(94); HNOH(76), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N +- equation: HNOH(76) + HNOH(76) <=> HNO(63) + NH2OH(94) # Reaction 133 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 2.163} + note: |- + Reaction index: Chemkin #133; RMG #2121 + Template reaction: Disproportionation + Flux pairs: HNOH(76), NH2OH(94); HNOH(76), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: HNOH(76) + NH2O(93) <=> HNO(63) + NH2OH(94) # Reaction 134 + duplicate: true + rate-constant: {A: 7.383e+08, b: 1.263, Ea: 2.903} + note: |- + Reaction index: Chemkin #134; RMG #2122 + Template reaction: Disproportionation + Flux pairs: NH2O(93), NH2OH(94); HNOH(76), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS + Multiplied by reaction path degeneracy 2.0 +- equation: H(5) + HNOH(76) <=> NH2OH(94) # Reaction 135 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-13.54, 1.5, 1.196e-15, 2.741e-16] + - [-0.1809, 1.837e-15, -1.959e-15, 4.58e-16] + - [-0.06811, -5.988e-16, 1.072e-15, -1.311e-15] + - [-0.01516, 1.361e-15, -4.316e-16, -3.743e-16] + - [-6.165e-03, -1.863e-15, 2.217e-17, -1.226e-15] + - [-4.899e-03, 1.028e-15, 5.994e-16, 5.655e-16] + note: |- + Reaction index: Chemkin #135; RMG #2240 + PDep reaction: PDepNetwork #141 + Flux pairs: H(5), NH2OH(94); HNOH(76), NH2OH(94); +- equation: HNOH(76) + NH2O(93) <=> HNO(63) + NH2OH(94) # Reaction 136 + duplicate: true + rate-constant: {A: 2.94e+04, b: 2.69, Ea: 0.773} + note: |- + Reaction index: Chemkin #136; RMG #2198 + Template reaction: Disproportionation + Flux pairs: HNOH(76), HNO(63); NH2O(93), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N +- equation: HNOH(76) + NH2O(93) <=> HNO(63) + NH2OH(94) # Reaction 137 + duplicate: true + rate-constant: {A: 7.383e+08, b: 1.263, Ea: 2.903} + note: |- + Reaction index: Chemkin #137; RMG #2199 + Template reaction: Disproportionation + Flux pairs: NH2O(93), HNO(63); HNOH(76), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS + Multiplied by reaction path degeneracy 2.0 +- equation: H(5) + NH2(16) <=> NH(37) + H2(4) # Reaction 138 + rate-constant: {A: 4.0e+13, b: 0.0, Ea: 3.65} + note: |- + Reaction index: Chemkin #138; RMG #179 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2(16), NH(37); H(5), H2(4); +- equation: NO(28) + NH(37) <=> N2(2) + OH(7) # Reaction 139 + rate-constant: {A: 2.7e+12, b: -0.072, Ea: -0.512} + note: |- + Reaction index: Chemkin #139; RMG #235 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), OH(7); NH(37), N2(2); +- equation: OH(7) + NH2(16) <=> NH(37) + H2O(9) # Reaction 140 + rate-constant: {A: 2.84e+06, b: 1.97, Ea: -2.246} + note: |- + Reaction index: Chemkin #140; RMG #239 + Library reaction: primaryNitrogenLibrary + Flux pairs: OH(7), H2O(9); NH2(16), NH(37); +- equation: NH(37) + NH2OH(94) <=> NH2(16) + HNOH(76) # Reaction 141 + rate-constant: {A: 2.91e-03, b: 4.4, Ea: 1.564} + note: |- + Reaction index: Chemkin #141; RMG #245 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2OH(94), HNOH(76); NH(37), NH2(16); +- equation: NH(37) + NH2OH(94) <=> NH2(16) + NH2O(93) # Reaction 142 + rate-constant: {A: 1.46e-03, b: 4.6, Ea: 2.424} + note: |- + Reaction index: Chemkin #142; RMG #246 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2OH(94), NH2O(93); NH(37), NH2(16); +- equation: NH2(16) + NH2(16) <=> NH(37) + NH3(1) # Reaction 143 + rate-constant: {A: 5.64, b: 3.53, Ea: 0.552} + note: |- + Reaction index: Chemkin #143; RMG #253 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2(16), NH3(1); NH2(16), NH(37); +- equation: NO2(60) + NH(37) <=> NO(28) + HNO(63) # Reaction 144 + rate-constant: {A: 1.25e+06, b: 1.96, Ea: 2.345} + note: |- + Reaction index: Chemkin #144; RMG #282 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HNO(63); NH(37), NO(28); +- equation: O2(3) + NH(37) <=> NO(28) + OH(7) # Reaction 145 + rate-constant: {A: 1.28e+06, b: 1.5, Ea: 0.1} + note: |- + Reaction index: Chemkin #145; RMG #298 + Library reaction: primaryNitrogenLibrary + Flux pairs: O2(3), NO(28); NH(37), OH(7); +- equation: O2(3) + NH(37) <=> O(8) + HNO(63) # Reaction 146 + rate-constant: {A: 1.0e-30, b: 0.0, Ea: 119.503} + note: |- + Reaction index: Chemkin #146; RMG #405 + Library reaction: primaryNitrogenLibrary + Flux pairs: O2(3), HNO(63); NH(37), O(8); +- equation: HO2(10) + NH(37) <=> O2(3) + NH2(16) # Reaction 147 + duplicate: true + rate-constant: {A: 2.17541e-26, b: 11.138, Ea: 17.99} + note: |- + Reaction index: Chemkin #147; RMG #406 + Library reaction: primaryNitrogenLibrary +- equation: HO2(10) + NH(37) <=> O2(3) + NH2(16) # Reaction 148 + duplicate: true + rate-constant: {A: 3947.27, b: 2.958, Ea: -1.36} + note: |- + Reaction index: Chemkin #148; RMG #406 + Library reaction: primaryNitrogenLibrary +- equation: NH(37) + H2O2(11) <=> HO2(10) + NH2(16) # Reaction 149 + rate-constant: {A: 1.71391e-04, b: 4.921, Ea: 3.349} + note: |- + Reaction index: Chemkin #149; RMG #407 + Library reaction: primaryNitrogenLibrary + Flux pairs: H2O2(11), HO2(10); NH(37), NH2(16); +- equation: NH(37) + NH2O(93) <=> HNO(63) + NH2(16) # Reaction 150 + rate-constant: {A: 4251.49, b: 2.559, Ea: 0.892} + note: |- + Reaction index: Chemkin #150; RMG #409 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2O(93), HNO(63); NH(37), NH2(16); +- equation: NH(37) + HNOH(76) <=> HNO(63) + NH2(16) # Reaction 151 + rate-constant: {A: 2.18124e+05, b: 2.238, Ea: 2.592} + note: |- + Reaction index: Chemkin #151; RMG #410 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNOH(76), HNO(63); NH(37), NH2(16); +- equation: HO2(10) + NH(37) <=> O2(3) + NH2(16) # Reaction 152 + duplicate: true + rate-constant: {A: 2.39523e-26, b: 11.126, Ea: 17.915} + note: |- + Reaction index: Chemkin #152; RMG #412 + Library reaction: primaryNitrogenLibrary +- equation: HO2(10) + NH(37) <=> O2(3) + NH2(16) # Reaction 153 + duplicate: true + rate-constant: {A: 4342.52, b: 2.946, Ea: -1.385} + note: |- + Reaction index: Chemkin #153; RMG #412 + Library reaction: primaryNitrogenLibrary +- equation: O(8) + NH2(16) <=> OH(7) + NH(37) # Reaction 154 + rate-constant: {A: 3090.0, b: 2.84, Ea: -2.78} + note: |- + Reaction index: Chemkin #154; RMG #468 + Library reaction: primaryNitrogenLibrary + Flux pairs: O(8), OH(7); NH2(16), NH(37); +- equation: OH(7) + NH(37) <=> H(5) + HNO(63) # Reaction 155 + rate-constant: {A: 1.51e+14, b: -0.314, Ea: -0.308} + note: |- + Reaction index: Chemkin #155; RMG #470 + Library reaction: primaryNitrogenLibrary + Flux pairs: OH(7), HNO(63); NH(37), H(5); +- equation: OH(7) + NH(37) <=> NO(28) + H2(4) # Reaction 156 + rate-constant: {A: 3.43e+13, b: -0.303, Ea: -0.336} + note: |- + Reaction index: Chemkin #156; RMG #471 + Library reaction: primaryNitrogenLibrary + Flux pairs: OH(7), NO(28); NH(37), H2(4); +- equation: O(8) + NH(37) <=> NO(28) + H(5) # Reaction 157 + rate-constant: {A: 9.2e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #157; RMG #1026 + Library reaction: NOx2018 + Flux pairs: O(8), NO(28); NH(37), H(5); +- equation: O2(3) + NH(37) <=> NO2(60) + H(5) # Reaction 158 + rate-constant: {A: 2.3e+10, b: 0.0, Ea: 2.482} + note: |- + Reaction index: Chemkin #158; RMG #1621 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: O2(3), NO2(60); NH(37), H(5); +- equation: NH(37) + NH(37) <=> N2(2) + H(5) + H(5) # Reaction 159 + rate-constant: {A: 5.1e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #159; RMG #1635 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: NH(37), N2(2); NH(37), H(5); NH(37), H(5); +- equation: H(5) + NH(37) <=> NH2(16) # Reaction 160 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.79, 1.044, -0.1083, -0.01095] + - [-0.3937, 0.1665, 0.02867, -1.678e-03] + - [-0.07169, 0.01348, 4.402e-03, 9.068e-04] + - [-0.01595, 1.713e-03, 6.021e-04, 1.548e-04] + - [-3.883e-03, 2.725e-04, 1.033e-04, 2.67e-05] + - [-9.736e-04, 4.891e-05, 1.971e-05, 5.374e-06] + note: |- + Reaction index: Chemkin #160; RMG #2268 + PDep reaction: PDepNetwork #153 + Flux pairs: H(5), NH2(16); NH(37), NH2(16); +- equation: NH(37) + NH2OOH(133) <=> NH2(16) + NO[O](227) # Reaction 161 + rate-constant: {A: 8.7e+12, b: 0.0, Ea: 4.75} + note: |- + Reaction index: Chemkin #161; RMG #1804 + Template reaction: H_Abstraction + Flux pairs: NH2OOH(133), NO[O](227); NH(37), NH2(16); + Estimated using template [O/H/NonDeO;Y_1centerbirad] for rate rule [O/H/NonDeO;NH_triplet] + Euclidian distance = 1.0 + family: H_Abstraction +- equation: NH(37) + HNO(63) <=> NO(28) + NH2(16) # Reaction 162 + rate-constant: {A: 1.03923e+09, b: 1.36, Ea: -0.265} + note: |- + Reaction index: Chemkin #162; RMG #1965 + Template reaction: H_Abstraction + Flux pairs: HNO(63), NO(28); NH(37), NH2(16); + Estimated using average of templates [N3d/H/NonDe;NH_triplet] + [N3d/H/NonDeO;Y_1centerbirad] for rate rule [N3d/H/NonDeO;NH_triplet] + Euclidian distance = 1.0 + family: H_Abstraction +- equation: OH(7) + NH(37) <=> HNOH(76) # Reaction 163 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.1, 1.165, -0.09484, -0.01002] + - [-0.5939, 0.1909, 0.04075, 6.813e-04] + - [-0.1301, 2.613e-03, 5.203e-03, 1.214e-03] + - [-0.02738, -1.003e-03, 5.789e-04, 7.655e-05] + - [-9.253e-03, 3.845e-03, -1.538e-03, 1.784e-04] + - [2.178e-03, -5.525e-03, 2.139e-03, -2.445e-04] + note: |- + Reaction index: Chemkin #163; RMG #2265 + PDep reaction: PDepNetwork #150 + Flux pairs: OH(7), HNOH(76); NH(37), HNOH(76); +- equation: NH(37) + NH2(16) + M <=> H(5) + N2H2(17) + M # Reaction 164 + type: three-body + rate-constant: {A: 4.26e+14, b: -0.272, Ea: -0.078} + note: |- + Reaction index: Chemkin #164; RMG #249 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2(16), N2H2(17); NH(37), H(5); +- equation: NH2(16) + NH2(16) + M <=> H2(4) + N2H2(17) + M # Reaction 165 + type: three-body + rate-constant: {A: 1.74e+08, b: 1.02, Ea: 11.784} + note: |- + Reaction index: Chemkin #165; RMG #251 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2(16), N2H2(17); NH2(16), H2(4); +- equation: H2(4) + N2H2(17) <=> N2(2) + H2(4) + H2(4) # Reaction 166 + rate-constant: {A: 3.22e+06, b: 1.8, Ea: 21.4} + note: |- + Reaction index: Chemkin #166; RMG #332 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H2(17), N2(2); H2(4), H2(4); H2(4), H2(4); +- equation: O(8) + N2H4(22) <=> H2O(9) + N2H2(17) # Reaction 167 + rate-constant: {A: 2.9e+11, b: 0.0, Ea: -1.27} + note: |- + Reaction index: Chemkin #167; RMG #1072 + Library reaction: NOx2018 + Flux pairs: O(8), H2O(9); N2H4(22), N2H2(17); +- equation: O(8) + N2H2(17) <=> NO(28) + NH2(16) # Reaction 168 + rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #168; RMG #1086 + Library reaction: NOx2018 + Flux pairs: O(8), NO(28); N2H2(17), NH2(16); +- equation: N2H2(17) <=> NH(37) + NH(37) # Reaction 169 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-20.39, 1.317, -0.09448, -0.03082] + - [18.17, 0.08327, 0.03912, 9.697e-03] + - [-0.1287, 8.573e-03, 5.12e-03, 2.183e-03] + - [-0.03527, 7.053e-04, 4.975e-04, 2.759e-04] + - [-9.149e-03, 4.137e-06, 1.715e-05, 1.93e-05] + - [-2.301e-03, -1.176e-05, -4.915e-06, -4.527e-07] + note: |- + Reaction index: Chemkin #169; RMG #1707 + PDep reaction: PDepNetwork #10 + Flux pairs: N2H2(17), NH(37); N2H2(17), NH(37); +- equation: N2H4(22) <=> H2(4) + N2H2(17) # Reaction 170 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-2.413, 0.1306, -0.02146, 9.232e-03] + - [7.676, 0.1713, -0.01457, 8.243e-03] + - [-0.1438, 0.066, 2.719e-03, 2.406e-03] + - [-0.05747, 0.015, 3.06e-03, 1.023e-03] + - [-0.01821, 1.237e-03, 5.6e-04, 4.245e-04] + - [-4.75e-03, -3.611e-04, -1.907e-04, 5.748e-05] + note: |- + Reaction index: Chemkin #170; RMG #1722 + PDep reaction: PDepNetwork #18 + Flux pairs: N2H4(22), H2(4); N2H4(22), N2H2(17); +- equation: O(8) + NNH(71) <=> N2(2) + OH(7) # Reaction 171 + rate-constant: {A: 1.2e+13, b: 0.145, Ea: -0.217} + note: |- + Reaction index: Chemkin #171; RMG #169 + Library reaction: primaryNitrogenLibrary + Flux pairs: O(8), OH(7); NNH(71), N2(2); +- equation: O(8) + NNH(71) <=> NO(28) + NH(37) # Reaction 172 + rate-constant: {A: 5.2e+11, b: 0.388, Ea: -0.409} + note: |- + Reaction index: Chemkin #172; RMG #170 + Library reaction: primaryNitrogenLibrary + Flux pairs: O(8), NO(28); NNH(71), NH(37); +- equation: O2(3) + NNH(71) <=> N2(2) + HO2(10) # Reaction 173 + rate-constant: {A: 5.6e+14, b: -0.385, Ea: -0.013} + note: |- + Reaction index: Chemkin #173; RMG #175 + Library reaction: primaryNitrogenLibrary + Flux pairs: O2(3), HO2(10); NNH(71), N2(2); +- equation: H(5) + NNH(71) <=> N2(2) + H2(4) # Reaction 174 + rate-constant: {A: 2.4e+08, b: 1.5, Ea: -0.894} + note: |- + Reaction index: Chemkin #174; RMG #176 + Library reaction: primaryNitrogenLibrary + Flux pairs: NNH(71), N2(2); H(5), H2(4); +- equation: OH(7) + NNH(71) <=> N2(2) + H2O(9) # Reaction 175 + duplicate: true + rate-constant: {A: 2.4e+22, b: -2.88, Ea: 2.444} + note: |- + Reaction index: Chemkin #175; RMG #177 + Library reaction: primaryNitrogenLibrary +- equation: OH(7) + NNH(71) <=> N2(2) + H2O(9) # Reaction 176 + duplicate: true + rate-constant: {A: 1.25e+06, b: 2.0, Ea: -1.192} + note: |- + Reaction index: Chemkin #176; RMG #177 + Library reaction: primaryNitrogenLibrary +- equation: OH(7) + N2H2(17) <=> NNH(71) + H2O(9) # Reaction 177 + duplicate: true + rate-constant: {A: 6740.0, b: 2.8, Ea: -0.507} + note: |- + Reaction index: Chemkin #177; RMG #214 + Library reaction: primaryNitrogenLibrary +- equation: OH(7) + N2H2(17) <=> NNH(71) + H2O(9) # Reaction 178 + duplicate: true + rate-constant: {A: 7.65e+04, b: 2.25, Ea: -2.351} + note: |- + Reaction index: Chemkin #178; RMG #214 + Library reaction: primaryNitrogenLibrary +- equation: NO(28) + NH2(16) <=> OH(7) + NNH(71) # Reaction 179 + rate-constant: {A: 4.3e+10, b: 0.294, Ea: -0.866} + note: |- + Reaction index: Chemkin #179; RMG #231 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), OH(7); NH2(16), NNH(71); +- equation: H(5) + N2H2(17) <=> NNH(71) + H2(4) # Reaction 180 + rate-constant: {A: 3.886e+08, b: 1.732, Ea: 0.738} + note: |- + Reaction index: Chemkin #180; RMG #380 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H2(17), NNH(71); H(5), H2(4); +- equation: NH2(16) + N2H2(17) <=> NNH(71) + NH3(1) # Reaction 181 + rate-constant: {A: 2.711e+05, b: 2.226, Ea: -1.034} + note: |- + Reaction index: Chemkin #181; RMG #382 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H2(17), NNH(71); NH2(16), NH3(1); +- equation: HNO(63) + NNH(71) <=> NO(28) + N2H2(17) # Reaction 182 + rate-constant: {A: 6.14893e-05, b: 4.697, Ea: 3.598} + note: |- + Reaction index: Chemkin #182; RMG #426 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO(63), NO(28); NNH(71), N2H2(17); +- equation: HO2(10) + NNH(71) <=> O2(3) + N2H2(17) # Reaction 183 + rate-constant: {A: 8.30235e-06, b: 4.809, Ea: 1.24} + note: |- + Reaction index: Chemkin #183; RMG #445 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), O2(3); NNH(71), N2H2(17); +- equation: HO2(10) + N2H2(17) <=> NNH(71) + H2O2(11) # Reaction 184 + rate-constant: {A: 3.36973, b: 3.535, Ea: -0.43} + note: |- + Reaction index: Chemkin #184; RMG #450 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), H2O2(11); N2H2(17), NNH(71); +- equation: NH2O(93) + N2H2(17) <=> NNH(71) + NH2OH(94) # Reaction 185 + rate-constant: {A: 2.04599e-04, b: 4.611, Ea: 2.743} + note: |- + Reaction index: Chemkin #185; RMG #451 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2O(93), NH2OH(94); N2H2(17), NNH(71); +- equation: HNOH(76) + N2H2(17) <=> NNH(71) + NH2OH(94) # Reaction 186 + rate-constant: {A: 5.87998e-04, b: 4.575, Ea: 0.257} + note: |- + Reaction index: Chemkin #186; RMG #455 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNOH(76), NH2OH(94); N2H2(17), NNH(71); +- equation: NH(37) + NNH(71) <=> N2(2) + NH2(16) # Reaction 187 + rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #187; RMG #1028 + Library reaction: NOx2018 + Flux pairs: NNH(71), N2(2); NH(37), NH2(16); +- equation: NNH(71) + NH2(16) <=> N2(2) + NH3(1) # Reaction 188 + rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #188; RMG #1029 + Library reaction: NOx2018 + Flux pairs: NNH(71), N2(2); NH2(16), NH3(1); +- equation: NO(28) + NNH(71) <=> N2(2) + HNO(63) # Reaction 189 + rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #189; RMG #1030 + Library reaction: NOx2018 + Flux pairs: NO(28), HNO(63); NNH(71), N2(2); +- equation: N2H2(17) + M <=> H(5) + NNH(71) + M # Reaction 190 + type: three-body + rate-constant: {A: 1.9e+27, b: -3.05, Ea: 66.107} + efficiencies: {H2O(9): 7.0} + note: |- + Reaction index: Chemkin #190; RMG #1084 + Library reaction: NOx2018 + Flux pairs: N2H2(17), H(5); N2H2(17), NNH(71); +- equation: O(8) + N2H2(17) <=> OH(7) + NNH(71) # Reaction 191 + rate-constant: {A: 3.3e+08, b: 1.5, Ea: 0.497} + note: |- + Reaction index: Chemkin #191; RMG #1085 + Library reaction: NOx2018 + Flux pairs: O(8), OH(7); N2H2(17), NNH(71); +- equation: NH(37) + N2H2(17) <=> NNH(71) + NH2(16) # Reaction 192 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1.192} + note: |- + Reaction index: Chemkin #192; RMG #1087 + Library reaction: NOx2018 + Flux pairs: N2H2(17), NNH(71); NH(37), NH2(16); +- equation: HO2(10) + NNH(71) <=> N2(2) + H2O2(11) # Reaction 193 + rate-constant: {A: 1.4e+04, b: 2.69, Ea: -1.192} + note: |- + Reaction index: Chemkin #193; RMG #1637 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: HO2(10), H2O2(11); NNH(71), N2(2); +- equation: NNH(71) <=> N2(2) + H(5) # Reaction 194 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.244, 1.487, -7.645e-03, -3.341e-03] + - [0.8574, 1.061e-04, 2.38e-04, 2.49e-04] + - [-2.797e-04, -4.871e-04, -2.202e-04, -4.208e-05] + - [5.686e-03, -1.615e-04, -6.856e-05, -8.975e-06] + - [1.671e-03, -2.026e-05, -2.54e-06, 6.001e-06] + - [3.121e-04, 3.522e-06, 4.892e-06, 4.119e-06] + note: |- + Reaction index: Chemkin #194; RMG #1699 + PDep reaction: PDepNetwork #3 + Flux pairs: NNH(71), N2(2); NNH(71), H(5); +- equation: NNH(71) + NO[O](227) <=> N2(2) + NH2OOH(133) # Reaction 195 + rate-constant: {A: 1.4e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #195; RMG #1862 + Template reaction: Disproportionation + Flux pairs: NO[O](227), NH2OOH(133); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C +- equation: NNH(71) + NH2O(93) <=> N2(2) + NH2OH(94) # Reaction 196 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #196; RMG #2116 + Template reaction: Disproportionation + Flux pairs: NH2O(93), NH2OH(94); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C +- equation: NNH(71) + HNOH(76) <=> N2(2) + NH2OH(94) # Reaction 197 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #197; RMG #2117 + Template reaction: Disproportionation + Flux pairs: HNOH(76), NH2OH(94); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: NNH(71) + NNH(71) <=> N2(2) + N2H2(17) # Reaction 198 + rate-constant: {A: 3.6333e+08, b: 1.265, Ea: 0.0} + note: |- + Reaction index: Chemkin #198; RMG #2269 + Template reaction: Disproportionation + Flux pairs: NNH(71), N2H2(17); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S +- equation: NO[O](227) + N2H2(17) <=> NNH(71) + NH2OOH(133) # Reaction 199 + rate-constant: {A: 4.8e+06, b: 2.0, Ea: -1.19} + note: |- + Reaction index: Chemkin #199; RMG #2276 + Template reaction: H_Abstraction + Flux pairs: NO[O](227), NH2OOH(133); N2H2(17), NNH(71); + Estimated using template [N3d/H/NonDeN;O_rad] for rate rule [N3d/H/NonDeN;O_rad/NonDeO] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: NNH(71) + HNOH(76) <=> HNO(63) + N2H2(17) # Reaction 200 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 8.425} + note: |- + Reaction index: Chemkin #200; RMG #2288 + Template reaction: Disproportionation + Flux pairs: HNOH(76), HNO(63); NNH(71), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NNH(71) + NH2O(93) <=> HNO(63) + N2H2(17) # Reaction 201 + rate-constant: {A: 7.383e+08, b: 1.263, Ea: 10.468} + note: |- + Reaction index: Chemkin #201; RMG #2289 + Template reaction: Disproportionation + Flux pairs: NH2O(93), HNO(63); NNH(71), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS + Multiplied by reaction path degeneracy 2.0 +- equation: NH2(16) + NH2(16) + M <=> H2(4) + H2NN(S)(18) + M # Reaction 202 + type: three-body + rate-constant: {A: 7.17e+04, b: 1.88, Ea: 8.803} + note: |- + Reaction index: Chemkin #202; RMG #252 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2(16), H2NN(S)(18); NH2(16), H2(4); +- equation: H2NN(S)(18) + NH3(1) <=> N2H2(17) + NH3(1) # Reaction 203 + rate-constant: {A: 0.207, b: 3.64, Ea: 7.433} + note: |- + Reaction index: Chemkin #203; RMG #335 + Library reaction: primaryNitrogenLibrary + Flux pairs: H2NN(S)(18), N2H2(17); NH3(1), NH3(1); +- equation: O(8) + H2NN(S)(18) <=> NO(28) + NH2(16) # Reaction 204 + rate-constant: {A: 3.2e+09, b: 1.03, Ea: 0.684} + note: |- + Reaction index: Chemkin #204; RMG #336 + Library reaction: primaryNitrogenLibrary + Flux pairs: O(8), NO(28); H2NN(S)(18), NH2(16); +- equation: O(8) + H2NN(S)(18) <=> OH(7) + NNH(71) # Reaction 205 + rate-constant: {A: 3.3e+08, b: 1.5, Ea: 0.226} + note: |- + Reaction index: Chemkin #205; RMG #337 + Library reaction: primaryNitrogenLibrary + Flux pairs: O(8), OH(7); H2NN(S)(18), NNH(71); +- equation: NNH(71) + H2NN(S)(18) <=> NNH(71) + N2H2(17) # Reaction 206 + rate-constant: {A: 0.84716, b: 3.912, Ea: 1.472} + note: |- + Reaction index: Chemkin #206; RMG #452 + Library reaction: primaryNitrogenLibrary + Flux pairs: H2NN(S)(18), N2H2(17); NNH(71), NNH(71); +- equation: NO(28) + H2NN(S)(18) <=> N2(2) + HNOH(76) # Reaction 207 + rate-constant: {A: 1.42556, b: 3.424, Ea: 0.467} + note: |- + Reaction index: Chemkin #207; RMG #462 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), HNOH(76); H2NN(S)(18), N2(2); +- equation: NH2(16) + HNOH(76) <=> H2O(9) + H2NN(S)(18) # Reaction 208 + rate-constant: {A: 8.8e+16, b: -1.08, Ea: 1.113} + note: |- + Reaction index: Chemkin #208; RMG #1068 + Library reaction: NOx2018 + Flux pairs: HNOH(76), H2O(9); NH2(16), H2NN(S)(18); +- equation: H(5) + H2NN(S)(18) <=> NNH(71) + H2(4) # Reaction 209 + rate-constant: {A: 4.8e+08, b: 1.5, Ea: -0.894} + note: |- + Reaction index: Chemkin #209; RMG #1091 + Library reaction: NOx2018 + Flux pairs: H2NN(S)(18), NNH(71); H(5), H2(4); +- equation: H(5) + H2NN(S)(18) <=> H(5) + N2H2(17) # Reaction 210 + rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #210; RMG #1092 + Library reaction: NOx2018 + Flux pairs: H2NN(S)(18), N2H2(17); H(5), H(5); +- equation: OH(7) + H2NN(S)(18) <=> NNH(71) + H2O(9) # Reaction 211 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: -1.192} + note: |- + Reaction index: Chemkin #211; RMG #1093 + Library reaction: NOx2018 + Flux pairs: OH(7), H2O(9); H2NN(S)(18), NNH(71); +- equation: OH(7) + H2NN(S)(18) => NO(28) + H(5) + NH2(16) # Reaction 212 + rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #212; RMG #1094 + Library reaction: NOx2018 + Flux pairs: OH(7), NO(28); H2NN(S)(18), H(5); H2NN(S)(18), NH2(16); +- equation: HO2(10) + H2NN(S)(18) => NO(28) + OH(7) + NH2(16) # Reaction 213 + rate-constant: {A: 9.0e+12, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #213; RMG #1095 + Library reaction: NOx2018 + Flux pairs: HO2(10), NO(28); H2NN(S)(18), NH2(16); H2NN(S)(18), OH(7); +- equation: HO2(10) + H2NN(S)(18) <=> NNH(71) + H2O2(11) # Reaction 214 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: -1.6} + note: |- + Reaction index: Chemkin #214; RMG #1096 + Library reaction: NOx2018 + Flux pairs: HO2(10), H2O2(11); H2NN(S)(18), NNH(71); +- equation: O2(3) + H2NN(S)(18) <=> NO2(60) + NH2(16) # Reaction 215 + rate-constant: {A: 1.5e+12, b: 0.0, Ea: 5.961} + note: |- + Reaction index: Chemkin #215; RMG #1097 + Library reaction: NOx2018 + Flux pairs: O2(3), NO2(60); H2NN(S)(18), NH2(16); +- equation: NH2(16) + H2NN(S)(18) <=> NNH(71) + NH3(1) # Reaction 216 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: -1.152} + note: |- + Reaction index: Chemkin #216; RMG #1098 + Library reaction: NOx2018 + Flux pairs: H2NN(S)(18), NNH(71); NH2(16), NH3(1); +- equation: H2NN(S)(18) <=> N2H2(17) # Reaction 217 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-0.2816, 0.6588, -0.1287, 4.505e-03] + - [6.357, 0.3223, 7.369e-04, -0.01177] + - [-0.1074, 0.05184, 0.01571, 6.378e-05] + - [-0.03879, 6.281e-03, 3.576e-03, 4.967e-04] + - [-0.01037, -8.02e-05, 5.408e-05, 1.823e-04] + - [-2.53e-03, -2.204e-04, -2.833e-05, 1.213e-05] + note: |- + Reaction index: Chemkin #217; RMG #1716 + PDep reaction: PDepNetwork #16 + Flux pairs: H2NN(S)(18), N2H2(17); +- equation: H(5) + NNH(71) <=> H2NN(S)(18) # Reaction 218 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.508, 0.4396, -0.1615, 0.02149] + - [-0.06425, -0.2297, 0.06513, 4.263e-03] + - [-0.1936, 0.02539, 2.926e-03, -8.304e-03] + - [-0.02797, 3.775e-03, -3.924e-03, 1.1e-03] + - [-2.227e-03, -2.99e-03, -5.411e-04, 1.391e-03] + - [-8.89e-03, 9.633e-03, -1.795e-03, -6.314e-04] + note: |- + Reaction index: Chemkin #218; RMG #2579 + PDep reaction: PDepNetwork #192 + Flux pairs: H(5), H2NN(S)(18); NNH(71), H2NN(S)(18); +- equation: H2NN(S)(18) <=> N2(2) + H2(4) # Reaction 219 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-2.39, 1.357, -0.0767, -0.02767] + - [7.56, 0.05902, 0.03011, 9.482e-03] + - [-0.1572, 0.02157, 0.01094, 3.393e-03] + - [-0.03063, -1.774e-03, -4.889e-04, 1.943e-04] + - [-8.971e-03, -3.932e-04, -1.456e-04, 1.649e-06] + - [-2.419e-03, 4.367e-05, -1.125e-06, -1.77e-05] + note: |- + Reaction index: Chemkin #219; RMG #1718 + PDep reaction: PDepNetwork #16 + Flux pairs: H2NN(S)(18), N2(2); H2NN(S)(18), H2(4); +- equation: N2H4(22) <=> H2(4) + H2NN(S)(18) # Reaction 220 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-10.35, 1.434, -0.03751, -0.01506] + - [10.91, 0.06546, 0.03592, 0.01352] + - [-0.1135, -5.519e-03, -2.222e-03, -1.51e-04] + - [-0.02894, -9.394e-04, -6.785e-04, -3.838e-04] + - [-3.28e-03, -9.201e-04, -4.865e-04, -1.713e-04] + - [-4.504e-03, 8.839e-04, 4.31e-04, 1.175e-04] + note: |- + Reaction index: Chemkin #220; RMG #1721 + PDep reaction: PDepNetwork #18 + Flux pairs: N2H4(22), H2(4); N2H4(22), H2NN(S)(18); +- equation: NH(37) + H2NN(S)(18) <=> NNH(71) + NH2(16) # Reaction 221 + rate-constant: {A: 3.4e+08, b: 1.5, Ea: 2.36} + note: |- + Reaction index: Chemkin #221; RMG #2444 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); NH(37), NH2(16); + Estimated using template [N5dc_H;Y_1centerbirad] for rate rule [N5dc_H;NH_triplet] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: O2(3) + H2NN(S)(18) <=> HO2(10) + NNH(71) # Reaction 222 + rate-constant: {A: 2.520309e+09, b: 1.199, Ea: 28.205} + note: |- + Reaction index: Chemkin #222; RMG #2449 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); O2(3), HO2(10); + Estimated using average of templates [X_H;O2b] + [N5dc_H;Y_rad] for rate rule [N5dc_H;O2b] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 4.0 + family: H_Abstraction +- equation: NNH(71) + NH2O(93) <=> HNO(63) + H2NN(S)(18) # Reaction 223 + rate-constant: {A: 7.383e+08, b: 1.263, Ea: 25.447} + note: |- + Reaction index: Chemkin #223; RMG #2466 + Template reaction: Disproportionation + Flux pairs: NH2O(93), HNO(63); NNH(71), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS + Multiplied by reaction path degeneracy 2.0 +- equation: NO[O](227) + H2NN(S)(18) <=> NNH(71) + NH2OOH(133) # Reaction 224 + rate-constant: {A: 4.307142e+05, b: 2.16, Ea: 4.185} + note: |- + Reaction index: Chemkin #224; RMG #2488 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); NO[O](227), NH2OOH(133); + Estimated using average of templates [X_H;O_rad/NonDeO] + [N5dc_H;O_rad] for rate rule [N5dc_H;O_rad/NonDeO] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: NO(28) + H2NN(S)(18) <=> HNO(63) + NNH(71) # Reaction 225 + rate-constant: {A: 1.84e+06, b: 1.94, Ea: 0.87} + note: |- + Reaction index: Chemkin #225; RMG #2496 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); NO(28), HNO(63); + Estimated using template [N5dc_H;N3_rad] for rate rule [N5dc_H;N3d_rad] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: NH2O(93) + H2NN(S)(18) <=> NNH(71) + NH2OH(94) # Reaction 226 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: -0.79} + note: |- + Reaction index: Chemkin #226; RMG #2524 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); NH2O(93), NH2OH(94); + Estimated using template [N5dc_H;O_rad] for rate rule [N5dc_H;O_rad/NonDeN] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNOH(76) + H2NN(S)(18) <=> NNH(71) + NH2OH(94) # Reaction 227 + rate-constant: {A: 1.84e+06, b: 1.94, Ea: 0.87} + note: |- + Reaction index: Chemkin #227; RMG #2525 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); HNOH(76), NH2OH(94); + Estimated using template [N5dc_H;N3s_rad] for rate rule [N5dc_H;N3s_rad_pri] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: NNH(71) + HNOH(76) <=> HNO(63) + H2NN(S)(18) # Reaction 228 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 21.269} + note: |- + Reaction index: Chemkin #228; RMG #2534 + Template reaction: Disproportionation + Flux pairs: HNOH(76), HNO(63); NNH(71), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NNH(71) + NNH(71) <=> N2(2) + H2NN(S)(18) # Reaction 229 + rate-constant: {A: 3.6333e+08, b: 1.265, Ea: 0.0} + note: |- + Reaction index: Chemkin #229; RMG #2550 + Template reaction: Disproportionation + Flux pairs: NNH(71), N2(2); NNH(71), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S +- equation: N2O(59) (+M) <=> O(8) + N2(2) (+M) # Reaction 230 + type: falloff + low-P-rate-constant: {A: 9.3e+14, b: 0.0, Ea: 60.05} + high-P-rate-constant: {A: 7.9e+11, b: 0.0, Ea: 61.54} + note: |- + Reaction index: Chemkin #230; RMG #158 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O(59), O(8); N2O(59), N2(2); +- equation: O(8) + N2O(59) <=> O2(3) + N2(2) # Reaction 231 + rate-constant: {A: 1.66e+12, b: 0.0, Ea: 11.65} + note: |- + Reaction index: Chemkin #231; RMG #159 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O(59), O2(3); O(8), N2(2); +- equation: O(8) + N2O(59) <=> NO(28) + NO(28) # Reaction 232 + rate-constant: {A: 2.9e+13, b: 0.0, Ea: 23.151} + note: |- + Reaction index: Chemkin #232; RMG #160 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O(59), NO(28); O(8), NO(28); +- equation: NO(28) + N2O(59) <=> NO2(60) + N2(2) # Reaction 233 + rate-constant: {A: 5.26e+05, b: 2.23, Ea: 46.286} + note: |- + Reaction index: Chemkin #233; RMG #164 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O(59), NO2(60); NO(28), N2(2); +- equation: N2O(59) + OH(7) <=> N2(2) + HO2(10) # Reaction 234 + rate-constant: {A: 0.0129, b: 4.72, Ea: 36.565} + note: |- + Reaction index: Chemkin #234; RMG #165 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O(59), HO2(10); OH(7), N2(2); +- equation: N2O(59) + OH(7) <=> NO(28) + HNO(63) # Reaction 235 + rate-constant: {A: 1.18e-04, b: 4.33, Ea: 25.039} + note: |- + Reaction index: Chemkin #235; RMG #166 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O(59), HNO(63); OH(7), NO(28); +- equation: O(8) + NNH(71) <=> N2O(59) + H(5) # Reaction 236 + rate-constant: {A: 1.9e+14, b: -0.274, Ea: -0.022} + note: |- + Reaction index: Chemkin #236; RMG #168 + Library reaction: primaryNitrogenLibrary + Flux pairs: O(8), N2O(59); NNH(71), H(5); +- equation: NO(28) + NH2(16) <=> N2O(59) + H2(4) # Reaction 237 + rate-constant: {A: 7.0e+13, b: 0.0, Ea: 15.7} + note: |- + Reaction index: Chemkin #237; RMG #233 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), N2O(59); NH2(16), H2(4); +- equation: NO(28) + NH(37) <=> N2O(59) + H(5) # Reaction 238 + rate-constant: {A: 1.8e+14, b: -0.351, Ea: -0.244} + note: |- + Reaction index: Chemkin #238; RMG #234 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), N2O(59); NH(37), H(5); +- equation: NO2(60) + NH2(16) <=> N2O(59) + H2O(9) # Reaction 239 + rate-constant: {A: 4.3e+17, b: -1.874, Ea: 0.588} + note: |- + Reaction index: Chemkin #239; RMG #260 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), N2O(59); NH2(16), H2O(9); +- equation: N2O(59) + H(5) <=> N2(2) + OH(7) # Reaction 240 + rate-constant: {A: 6.4e+07, b: 1.835, Ea: 13.492} + note: |- + Reaction index: Chemkin #240; RMG #268 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O(59), OH(7); H(5), N2(2); +- equation: NO2(60) + NH(37) + M <=> N2O(59) + OH(7) + M # Reaction 241 + type: three-body + rate-constant: {A: 2.08e+13, b: -0.49, Ea: 0.715} + note: |- + Reaction index: Chemkin #241; RMG #281 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), N2O(59); NH(37), OH(7); +- equation: HNO(63) + HNO(63) <=> N2O(59) + H2O(9) # Reaction 242 + rate-constant: {A: 9.0e+08, b: 0.0, Ea: 3.1} + note: |- + Reaction index: Chemkin #242; RMG #1052 + Library reaction: NOx2018 + Flux pairs: HNO(63), N2O(59); HNO(63), H2O(9); +- equation: NO(28) + N2H2(17) <=> N2O(59) + NH2(16) # Reaction 243 + rate-constant: {A: 4.0e+12, b: 0.0, Ea: 11.922} + note: |- + Reaction index: Chemkin #243; RMG #1088 + Library reaction: NOx2018 + Flux pairs: NO(28), N2O(59); N2H2(17), NH2(16); +- equation: O2(3) + NNH(71) <=> N2O(59) + OH(7) # Reaction 244 + rate-constant: {A: 2.9e+11, b: -0.34, Ea: 2.453} + note: |- + Reaction index: Chemkin #244; RMG #1636 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: O2(3), N2O(59); NNH(71), OH(7); +- equation: N2O(59) + NH(37) <=> N2(2) + HNO(63) # Reaction 245 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [1.336, -1.814e-06, -1.112e-06, -5.215e-07] + - [3.275, 7.497e-07, 4.595e-07, 2.156e-07] + - [1.808e-04, 5.157e-10, 3.162e-10, 1.484e-10] + - [-2.607e-03, 2.935e-09, 1.799e-09, 8.439e-10] + - [-1.009e-03, 3.827e-10, 2.345e-10, 1.1e-10] + - [-3.107e-04, 9.871e-11, 6.05e-11, 2.838e-11] + note: |- + Reaction index: Chemkin #245; RMG #5574 + PDep reaction: PDepNetwork #268 + Flux pairs: N2O(59), HNO(63); NH(37), N2(2); +- equation: NH(37) + NH2(16) <=> H(5) + H2NN(S)(18) # Reaction 246 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.425, -0.1601, -0.07998, -0.02453] + - [-0.9161, 0.1455, 0.06709, 0.01608] + - [-0.2582, -5.936e-03, 8.073e-04, 3.055e-03] + - [-0.04686, -3.37e-03, -1.849e-03, -5.673e-04] + - [-0.01027, -5.487e-04, -3.887e-04, -2.177e-04] + - [-2.516e-03, -3.299e-05, -3.434e-05, -2.852e-05] + note: |- + Reaction index: Chemkin #246; RMG #2789 + PDep reaction: PDepNetwork #146 + Flux pairs: NH2(16), H2NN(S)(18); NH(37), H(5); +- equation: NO2(60) + NH3(1) <=> H(5) + H2NNO2(98) # Reaction 247 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-15.84, -1.031e-03, -6.31e-04, -2.952e-04] + - [13.45, -1.325e-03, -8.104e-04, -3.79e-04] + - [0.04225, -1.587e-04, -9.688e-05, -4.512e-05] + - [-0.04248, 3.603e-04, 2.205e-04, 1.031e-04] + - [0.02046, 2.788e-04, 1.704e-04, 7.95e-05] + - [0.01697, 8.734e-05, 5.324e-05, 2.473e-05] + note: |- + Reaction index: Chemkin #247; RMG #2424 + PDep reaction: PDepNetwork #109 + Flux pairs: NO2(60), H2NNO2(98); NH3(1), H(5); +- equation: NO2(60) + NH2(16) <=> H2NNO2(98) # Reaction 248 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.55, 0.5794, -0.1172, 4.535e-03] + - [-0.5603, 0.3874, -4.892e-03, -0.0151] + - [-0.1629, 0.07535, 0.01664, -1.488e-03] + - [-0.0395, 6.38e-03, 4.839e-03, 1.187e-03] + - [-6.082e-03, -2.569e-03, 3.597e-04, 4.277e-04] + - [6.724e-04, -1.648e-03, -2.791e-04, 2.758e-05] + note: |- + Reaction index: Chemkin #248; RMG #2781 + PDep reaction: PDepNetwork #115 + Flux pairs: NO2(60), H2NNO2(98); NH2(16), H2NNO2(98); +- equation: NH2(16) + N2H3(15) <=> N2H2(17) + NH3(1) # Reaction 249 + type: Chebyshev + temperature-range: [300.0, 3000.0] + pressure-range: [0.01 atm, 98.692 atm] + data: + - [8.155, -0.4712, -0.1417, -0.01161] + - [1.489, 0.582, 0.1499, 6.577e-05] + - [0.2631, -0.0617, 0.01702, 0.01594] + - [0.1027, -0.05609, -0.02267, -1.165e-03] + - [0.05981, -4.609e-03, -7.838e-03, -3.901e-03] + - [0.0288, 6.101e-03, 1.579e-03, -8.454e-04] + note: |- + Reaction index: Chemkin #249; RMG #56 + Library reaction: HydrazinePDep + Flux pairs: N2H3(15), N2H2(17); NH2(16), NH3(1); +- equation: NH2(16) + N2H3(15) <=> N2H2(17) + NH3(1) # Reaction 250 + rate-constant: {A: 9.2e+05, b: 1.94, Ea: -1.152} + note: |- + Reaction index: Chemkin #250; RMG #57 + Library reaction: HydrazinePDep + Flux pairs: N2H3(15), N2H2(17); NH2(16), NH3(1); +- equation: NH2(16) + N2H3(15) <=> H2NN(S)(18) + NH3(1) # Reaction 251 + type: Chebyshev + temperature-range: [300.0, 3000.0] + pressure-range: [0.01 atm, 98.692 atm] + data: + - [11.86, -0.7205, -0.1358, 1.997e-03] + - [0.3031, 0.8023, 0.1103, -0.01647] + - [-0.01974, 0.01336, 0.04838, 0.01213] + - [0.01467, -0.08085, -0.01121, 4.424e-03] + - [0.0409, -0.02737, -0.01294, -1.374e-03] + - [0.02875, 1.341e-03, -3.043e-03, -1.334e-03] + note: |- + Reaction index: Chemkin #251; RMG #60 + Library reaction: HydrazinePDep + Flux pairs: N2H3(15), H2NN(S)(18); NH2(16), NH3(1); +- equation: NH2(16) + N2H3(15) <=> H2NN(S)(18) + NH3(1) # Reaction 252 + rate-constant: {A: 13.03, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #252; RMG #61 + Library reaction: HydrazinePDep + Flux pairs: N2H3(15), H2NN(S)(18); NH2(16), NH3(1); +- equation: N2H3(15) + N2H3(15) <=> H2NN(S)(18) + N2H4(22) # Reaction 253 + type: Chebyshev + temperature-range: [300.0, 3000.0] + pressure-range: [0.01 atm, 98.692 atm] + data: + - [7.894, -0.08512, -0.03811, -0.01127] + - [1.552, 0.131, 0.05649, 0.01566] + - [0.3602, -0.05453, -0.01962, -3.593e-03] + - [0.1238, 5.699e-03, -1.158e-03, -1.786e-03] + - [0.04925, 3.922e-03, 2.622e-03, 8.463e-04] + - [0.01833, -5.031e-04, 1.436e-04, 3.22e-04] + note: |- + Reaction index: Chemkin #253; RMG #71 + Library reaction: HydrazinePDep + Flux pairs: N2H3(15), N2H4(22); N2H3(15), H2NN(S)(18); +- equation: NO(28) + N2H4(22) <=> HNO(63) + N2H3(15) # Reaction 254 + rate-constant: {A: 64.4, b: 3.16, Ea: 30.488} + note: |- + Reaction index: Chemkin #254; RMG #184 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), HNO(63); N2H4(22), N2H3(15); +- equation: HNO(63) + N2H3(15) <=> HNOH(76) + N2H2(17) # Reaction 255 + rate-constant: {A: 4.85e-17, b: 8.15, Ea: 0.904} + note: |- + Reaction index: Chemkin #255; RMG #188 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO(63), HNOH(76); N2H3(15), N2H2(17); +- equation: N2H4(22) (+M) <=> H(5) + N2H3(15) (+M) # Reaction 256 + type: falloff + low-P-rate-constant: {A: 1.95e+47, b: -8.5, Ea: 82.384} + high-P-rate-constant: {A: 5.69e+14, b: -0.28, Ea: 81.034} + note: |- + Reaction index: Chemkin #256; RMG #192 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H4(22), H(5); N2H4(22), N2H3(15); + Reaction library: 'primaryNitrogenLibrary' +- equation: NH(37) + N2H4(22) <=> NH2(16) + N2H3(15) # Reaction 257 + rate-constant: {A: 60.9, b: 3.61, Ea: 5.808} + note: |- + Reaction index: Chemkin #257; RMG #318 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H4(22), N2H3(15); NH(37), NH2(16); +- equation: N2H3(15) (+M) <=> H(5) + N2H2(17) (+M) # Reaction 258 + type: falloff + low-P-rate-constant: {A: 3.84e+40, b: -6.88, Ea: 54.463} + high-P-rate-constant: {A: 1.275e+11, b: 0.819, Ea: 48.065} + Troe: {A: 0.842, T3: 8.0e+04, T1: 28.0, T2: 7300.0} + efficiencies: {Ar: 1.0, N2(2): 2.0} + note: |- + Reaction index: Chemkin #258; RMG #375 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H3(15), H(5); N2H3(15), N2H2(17); +- equation: H(5) + N2H3(15) <=> H2(4) + N2H2(17) # Reaction 259 + rate-constant: {A: 7476.0, b: 2.796, Ea: 4.684} + note: |- + Reaction index: Chemkin #259; RMG #376 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H3(15), N2H2(17); H(5), H2(4); +- equation: H(5) + N2H3(15) <=> H2(4) + H2NN(S)(18) # Reaction 260 + rate-constant: {A: 6.243e+06, b: 1.89, Ea: 0.247} + note: |- + Reaction index: Chemkin #260; RMG #377 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H3(15), H2NN(S)(18); H(5), H2(4); +- equation: HO2(10) + N2H4(22) <=> H2O2(11) + N2H3(15) # Reaction 261 + rate-constant: {A: 4.31241e-03, b: 4.186, Ea: 2.115} + note: |- + Reaction index: Chemkin #261; RMG #417 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), H2O2(11); N2H4(22), N2H3(15); +- equation: HNOH(76) + N2H3(15) <=> HNO(63) + N2H4(22) # Reaction 262 + rate-constant: {A: 3.63865, b: 3.214, Ea: -0.659} + note: |- + Reaction index: Chemkin #262; RMG #418 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNOH(76), HNO(63); N2H3(15), N2H4(22); +- equation: NNH(71) + N2H4(22) <=> N2H2(17) + N2H3(15) # Reaction 263 + rate-constant: {A: 8.90238e-06, b: 5.001, Ea: 20.352} + note: |- + Reaction index: Chemkin #263; RMG #419 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H4(22), N2H3(15); NNH(71), N2H2(17); +- equation: HNOH(76) + N2H4(22) <=> NH2OH(94) + N2H3(15) # Reaction 264 + rate-constant: {A: 1.16857e-06, b: 4.973, Ea: 4.783} + note: |- + Reaction index: Chemkin #264; RMG #420 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNOH(76), NH2OH(94); N2H4(22), N2H3(15); +- equation: NH2OH(94) + N2H3(15) <=> NH2O(93) + N2H4(22) # Reaction 265 + rate-constant: {A: 0.284206, b: 3.409, Ea: 8.535} + note: |- + Reaction index: Chemkin #265; RMG #422 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2OH(94), NH2O(93); N2H3(15), N2H4(22); +- equation: NH2(16) + HNOH(76) <=> OH(7) + N2H3(15) # Reaction 266 + rate-constant: {A: 10.0, b: 3.46, Ea: -0.467} + note: |- + Reaction index: Chemkin #266; RMG #1067 + Library reaction: NOx2018 + Flux pairs: HNOH(76), OH(7); NH2(16), N2H3(15); +- equation: H(5) + N2H4(22) <=> H2(4) + N2H3(15) # Reaction 267 + rate-constant: {A: 7.0e+12, b: 0.0, Ea: 2.5} + note: |- + Reaction index: Chemkin #267; RMG #1069 + Library reaction: NOx2018 + Flux pairs: N2H4(22), N2H3(15); H(5), H2(4); +- equation: O(8) + N2H4(22) <=> OH(7) + N2H3(15) # Reaction 268 + rate-constant: {A: 1.5e+11, b: 0.0, Ea: -1.27} + note: |- + Reaction index: Chemkin #268; RMG #1071 + Library reaction: NOx2018 + Flux pairs: O(8), OH(7); N2H4(22), N2H3(15); +- equation: OH(7) + N2H4(22) <=> H2O(9) + N2H3(15) # Reaction 269 + rate-constant: {A: 1.3e+13, b: 0.0, Ea: -0.318} + note: |- + Reaction index: Chemkin #269; RMG #1073 + Library reaction: NOx2018 + Flux pairs: OH(7), H2O(9); N2H4(22), N2H3(15); +- equation: NH2(16) + N2H4(22) <=> NH3(1) + N2H3(15) # Reaction 270 + rate-constant: {A: 0.76, b: 4.0, Ea: 4.048} + note: |- + Reaction index: Chemkin #270; RMG #1074 + Library reaction: NOx2018 + Flux pairs: N2H4(22), N2H3(15); NH2(16), NH3(1); +- equation: O(8) + N2H3(15) <=> OH(7) + N2H2(17) # Reaction 271 + rate-constant: {A: 1.7e+08, b: 1.5, Ea: -0.646} + note: |- + Reaction index: Chemkin #271; RMG #1075 + Library reaction: NOx2018 + Flux pairs: O(8), OH(7); N2H3(15), N2H2(17); +- equation: O(8) + N2H3(15) <=> HNO(63) + NH2(16) # Reaction 272 + rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #272; RMG #1076 + Library reaction: NOx2018 + Flux pairs: O(8), HNO(63); N2H3(15), NH2(16); +- equation: O(8) + N2H3(15) => NO(28) + H(5) + NH2(16) # Reaction 273 + rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #273; RMG #1077 + Library reaction: NOx2018 + Flux pairs: O(8), NO(28); N2H3(15), H(5); N2H3(15), NH2(16); +- equation: OH(7) + N2H3(15) <=> H2O(9) + N2H2(17) # Reaction 274 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: -1.192} + note: |- + Reaction index: Chemkin #274; RMG #1078 + Library reaction: NOx2018 + Flux pairs: OH(7), H2O(9); N2H3(15), N2H2(17); +- equation: OH(7) + N2H3(15) <=> H2O(9) + H2NN(S)(18) # Reaction 275 + rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #275; RMG #1079 + Library reaction: NOx2018 + Flux pairs: OH(7), H2O(9); N2H3(15), H2NN(S)(18); +- equation: OH(7) + N2H3(15) <=> HNO(63) + NH3(1) # Reaction 276 + rate-constant: {A: 1.0e+12, b: 0.0, Ea: 15.0} + note: |- + Reaction index: Chemkin #276; RMG #1080 + Library reaction: NOx2018 + Flux pairs: OH(7), HNO(63); N2H3(15), NH3(1); +- equation: HO2(10) + N2H3(15) <=> H2O2(11) + N2H2(17) # Reaction 277 + rate-constant: {A: 1.4e+04, b: 2.69, Ea: -1.6} + note: |- + Reaction index: Chemkin #277; RMG #1081 + Library reaction: NOx2018 + Flux pairs: HO2(10), H2O2(11); N2H3(15), N2H2(17); +- equation: HO2(10) + N2H3(15) <=> O2(3) + N2H4(22) # Reaction 278 + rate-constant: {A: 9.2e+05, b: 1.94, Ea: 2.126} + note: |- + Reaction index: Chemkin #278; RMG #1082 + Library reaction: NOx2018 + Flux pairs: HO2(10), O2(3); N2H3(15), N2H4(22); +- equation: NH(37) + N2H3(15) <=> NH2(16) + N2H2(17) # Reaction 279 + rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #279; RMG #1083 + Library reaction: NOx2018 + Flux pairs: N2H3(15), N2H2(17); NH(37), NH2(16); +- equation: NH2(16) + NH2(16) <=> H(5) + N2H3(15) # Reaction 280 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.1 atm, A: 9.2e+11, b: -0.01, Ea: 10.014} + - {P: 1.0 atm, A: 1.2e+12, b: -0.03, Ea: 10.084} + - {P: 10.0 atm, A: 4.7e+12, b: -0.2, Ea: 10.62} + note: |- + Reaction index: Chemkin #280; RMG #1622 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: NH2(16), N2H3(15); NH2(16), H(5); +- equation: NNH(71) + N2H3(15) <=> N2(2) + N2H4(22) # Reaction 281 + rate-constant: {A: 3.6333e+08, b: 1.265, Ea: 0.0} + note: |- + Reaction index: Chemkin #281; RMG #1817 + Template reaction: Disproportionation + Flux pairs: N2H3(15), N2H4(22); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S +- equation: NO[O](227) + N2H4(22) <=> NH2OOH(133) + N2H3(15) # Reaction 282 + rate-constant: {A: 1.16e+05, b: 2.69, Ea: -1.6} + note: |- + Reaction index: Chemkin #282; RMG #1818 + Template reaction: H_Abstraction + Flux pairs: NO[O](227), NH2OOH(133); N2H4(22), N2H3(15); + From training reaction 724 used for N3s/H2/NonDeN;O_rad/NonDeO + Exact match found for rate rule [N3s/H2/NonDeN;O_rad/NonDeO] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 4.0 + family: H_Abstraction +- equation: NH2O(93) + N2H3(15) <=> HNO(63) + N2H4(22) # Reaction 283 + rate-constant: {A: 7.383e+08, b: 1.263, Ea: 3.576} + note: |- + Reaction index: Chemkin #283; RMG #1885 + Template reaction: Disproportionation + Flux pairs: NH2O(93), HNO(63); N2H3(15), N2H4(22); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS + Multiplied by reaction path degeneracy 2.0 +- equation: O2(3) + N2H3(15) <=> HO2(10) + N2H2(17) # Reaction 284 + rate-constant: {A: 2.892e+13, b: 0.0, Ea: 20.696} + note: |- + Reaction index: Chemkin #284; RMG #2272 + Template reaction: Disproportionation + Flux pairs: O2(3), HO2(10); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS + Multiplied by reaction path degeneracy 4.0 +- equation: N2H3(15) + N2H3(15) <=> N2H2(17) + N2H4(22) # Reaction 285 + rate-constant: {A: 7.2666e+08, b: 1.265, Ea: 0.199} + note: |- + Reaction index: Chemkin #285; RMG #2278 + Template reaction: Disproportionation + Flux pairs: N2H3(15), N2H4(22); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S + Multiplied by reaction path degeneracy 2.0 +- equation: NO[O](227) + N2H3(15) <=> N2H2(17) + NH2OOH(133) # Reaction 286 + rate-constant: {A: 5.8e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #286; RMG #2283 + Template reaction: Disproportionation + Flux pairs: NO[O](227), NH2OOH(133); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1 + Multiplied by reaction path degeneracy 2.0 +- equation: NO(28) + N2H3(15) <=> HNO(63) + N2H2(17) # Reaction 287 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 11.959} + note: |- + Reaction index: Chemkin #287; RMG #2287 + Template reaction: Disproportionation + Flux pairs: NO(28), N2H2(17); N2H3(15), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C + Multiplied by reaction path degeneracy 2.0 +- equation: NH2O(93) + N2H3(15) <=> N2H2(17) + NH2OH(94) # Reaction 288 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 2.357} + note: |- + Reaction index: Chemkin #288; RMG #2297 + Template reaction: Disproportionation + Flux pairs: NH2O(93), NH2OH(94); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 + Multiplied by reaction path degeneracy 2.0 +- equation: HNOH(76) + N2H3(15) <=> N2H2(17) + NH2OH(94) # Reaction 289 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 1.076} + note: |- + Reaction index: Chemkin #289; RMG #2298 + Template reaction: Disproportionation + Flux pairs: HNOH(76), NH2OH(94); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C + Multiplied by reaction path degeneracy 2.0 +- equation: NNH(71) + N2H3(15) <=> N2H2(17) + N2H2(17) # Reaction 290 + rate-constant: {A: 7.2666e+08, b: 1.265, Ea: 3.164} + note: |- + Reaction index: Chemkin #290; RMG #2306 + Template reaction: Disproportionation + Flux pairs: NNH(71), N2H2(17); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S + Multiplied by reaction path degeneracy 2.0 +- equation: H2NN(S)(18) + N2H3(15) <=> NNH(71) + N2H4(22) # Reaction 291 + rate-constant: {A: 1.84e+06, b: 1.94, Ea: 0.87} + note: |- + Reaction index: Chemkin #291; RMG #2463 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); N2H3(15), N2H4(22); + Estimated using template [N5dc_H;N3s_rad] for rate rule [N5dc_H;N3s_rad_pri] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: NH(37) + N2H3(15) <=> NH2(16) + H2NN(S)(18) # Reaction 292 + rate-constant: {A: 1.59386e+10, b: 0.994, Ea: 5.071} + note: |- + Reaction index: Chemkin #292; RMG #2585 + Template reaction: Disproportionation + Flux pairs: N2H3(15), H2NN(S)(18); NH(37), NH2(16); + Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS +- equation: O2(3) + N2H3(15) <=> HO2(10) + H2NN(S)(18) # Reaction 293 + rate-constant: {A: 1.446e+13, b: 0.0, Ea: 34.113} + note: |- + Reaction index: Chemkin #293; RMG #2589 + Template reaction: Disproportionation + Flux pairs: O2(3), HO2(10); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS + Multiplied by reaction path degeneracy 2.0 +- equation: HO2(10) + N2H3(15) <=> H2O2(11) + H2NN(S)(18) # Reaction 294 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: 2.885} + note: |- + Reaction index: Chemkin #294; RMG #2599 + Template reaction: Disproportionation + Flux pairs: HO2(10), H2O2(11); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1 +- equation: O(8) + N2H3(15) <=> OH(7) + H2NN(S)(18) # Reaction 295 + rate-constant: {A: 1.7e+08, b: 1.5, Ea: 2.18} + note: |- + Reaction index: Chemkin #295; RMG #2609 + Template reaction: Disproportionation + Flux pairs: O(8), OH(7); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N +- equation: NO[O](227) + N2H3(15) <=> H2NN(S)(18) + NH2OOH(133) # Reaction 296 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: 3.09} + note: |- + Reaction index: Chemkin #296; RMG #2614 + Template reaction: Disproportionation + Flux pairs: NO[O](227), NH2OOH(133); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1 +- equation: NO(28) + N2H3(15) <=> HNO(63) + H2NN(S)(18) # Reaction 297 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 26.428} + note: |- + Reaction index: Chemkin #297; RMG #2618 + Template reaction: Disproportionation + Flux pairs: NO(28), HNO(63); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: NH2O(93) + N2H3(15) <=> H2NN(S)(18) + NH2OH(94) # Reaction 298 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 9.645} + note: |- + Reaction index: Chemkin #298; RMG #2635 + Template reaction: Disproportionation + Flux pairs: NH2O(93), NH2OH(94); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 +- equation: HNOH(76) + N2H3(15) <=> H2NN(S)(18) + NH2OH(94) # Reaction 299 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 6.7} + note: |- + Reaction index: Chemkin #299; RMG #2637 + Template reaction: Disproportionation + Flux pairs: HNOH(76), NH2OH(94); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: NNH(71) + N2H3(15) <=> H2NN(S)(18) + N2H2(17) # Reaction 300 + rate-constant: {A: 1.08999e+09, b: 1.265, Ea: 13.392} + note: |- + Reaction index: Chemkin #300; RMG #2652 + Template reaction: Disproportionation + Flux pairs: N2H3(15), N2H2(17); NNH(71), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S + Multiplied by reaction path degeneracy 3.0 +- equation: NNH(71) + N2H3(15) <=> H2NN(S)(18) + H2NN(S)(18) # Reaction 301 + rate-constant: {A: 3.6333e+08, b: 1.265, Ea: 31.157} + note: |- + Reaction index: Chemkin #301; RMG #2658 + Template reaction: Disproportionation + Flux pairs: N2H3(15), H2NN(S)(18); NNH(71), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S +- equation: NO(28) + N2H3(15) <=> N2O(59) + NH3(1) # Reaction 302 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [6.832, -0.1432, -0.06377, -0.01552] + - [2.147, 0.1722, 0.07178, 0.01403] + - [0.1098, -0.02997, -7.908e-03, 1.587e-03] + - [0.02373, -7.465e-03, -4.509e-03, -1.629e-03] + - [6.706e-03, 1.155e-03, 9.159e-05, -3.164e-04] + - [1.681e-03, 8.27e-04, 4.296e-04, 1.13e-04] + note: |- + Reaction index: Chemkin #302; RMG #3032 + PDep reaction: PDepNetwork #298 + Flux pairs: NO(28), N2O(59); N2H3(15), NH3(1); +- equation: NH(37) + NH2(16) <=> N2H3(15) # Reaction 303 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.83, 0.803, -0.1381, -4.381e-03] + - [-0.5065, 0.3313, 0.02562, -0.01238] + - [-0.1517, 0.03543, 0.01552, 1.942e-03] + - [-0.03688, 2.197e-03, 2.197e-03, 9.745e-04] + - [-9.497e-03, -3.468e-05, 1.203e-04, 1.094e-04] + - [-2.471e-03, -4.986e-05, -1.062e-05, -3.293e-06] + note: |- + Reaction index: Chemkin #303; RMG #2788 + PDep reaction: PDepNetwork #146 + Flux pairs: NH(37), N2H3(15); NH2(16), N2H3(15); +- equation: H(5) + H2NN(S)(18) <=> N2H3(15) # Reaction 304 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [7.43, 1.305, -0.09582, -0.02826] + - [-0.6772, 0.1491, 0.06583, 0.01342] + - [-0.4124, 5.065e-04, 4.093e-03, 3.962e-03] + - [-0.08537, -1.654e-03, -7.604e-04, -4.672e-05] + - [-0.01914, -4.166e-04, -2.644e-04, -1.249e-04] + - [-4.435e-03, -9.378e-05, -5.863e-05, -2.924e-05] + note: |- + Reaction index: Chemkin #304; RMG #2879 + PDep reaction: PDepNetwork #224 + Flux pairs: H(5), N2H3(15); H2NN(S)(18), N2H3(15); +- equation: O2(3) + N2H3(15) <=> HO2(10) + N2H2(17) # Reaction 305 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [0.5802, -9.082e-04, -5.557e-04, -2.598e-04] + - [5.866, -1.422e-03, -8.698e-04, -4.065e-04] + - [0.07233, -8.636e-04, -5.279e-04, -2.464e-04] + - [0.01182, -4.465e-04, -2.726e-04, -1.27e-04] + - [1.358e-04, -2.032e-04, -1.239e-04, -5.759e-05] + - [-1.37e-03, -8.167e-05, -4.97e-05, -2.302e-05] + note: |- + Reaction index: Chemkin #305; RMG #3023 + PDep reaction: PDepNetwork #280 + Flux pairs: O2(3), HO2(10); N2H3(15), N2H2(17); +- equation: HONO(77) + N2H3(15) <=> NO(28) + H2O(9) + N2H2(17) # Reaction 306 + rate-constant: {A: 2.79e-08, b: 5.51, Ea: 11.112} + note: |- + Reaction index: Chemkin #306; RMG #190 + Library reaction: primaryNitrogenLibrary + Flux pairs: HONO(77), NO(28); N2H3(15), N2H2(17); N2H3(15), H2O(9); +- equation: NO2(60) + N2H4(22) <=> HONO(77) + N2H3(15) # Reaction 307 + rate-constant: {A: 3.23, b: 3.56, Ea: 0.763} + note: |- + Reaction index: Chemkin #307; RMG #195 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HONO(77); N2H4(22), N2H3(15); +- equation: NO2(60) + N2H3(15) <=> HONO(77) + N2H2(17) # Reaction 308 + rate-constant: {A: 2.4e+55, b: -16.7, Ea: -14.397} + note: |- + Reaction index: Chemkin #308; RMG #201 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HONO(77); N2H3(15), N2H2(17); +- equation: NO2(60) + N2H2(17) <=> HONO(77) + NNH(71) # Reaction 309 + duplicate: true + rate-constant: {A: 1.25, b: 3.8, Ea: 10.41} + note: |- + Reaction index: Chemkin #309; RMG #211 + Library reaction: primaryNitrogenLibrary +- equation: NO2(60) + N2H2(17) <=> HONO(77) + NNH(71) # Reaction 310 + duplicate: true + rate-constant: {A: 0.233, b: 3.5, Ea: -0.129} + note: |- + Reaction index: Chemkin #310; RMG #211 + Library reaction: primaryNitrogenLibrary +- equation: HONO(77) + NH2(16) <=> NO2(60) + NH3(1) # Reaction 311 + rate-constant: {A: 6400.0, b: 2.34, Ea: -3.2} + note: |- + Reaction index: Chemkin #311; RMG #257 + Library reaction: primaryNitrogenLibrary + Flux pairs: HONO(77), NO2(60); NH2(16), NH3(1); +- equation: NO2(60) + HNO(63) <=> NO(28) + HONO(77) # Reaction 312 + rate-constant: {A: 784.7, b: 3.1, Ea: 3.882} + note: |- + Reaction index: Chemkin #312; RMG #267 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HONO(77); HNO(63), NO(28); +- equation: H(5) + HONO(77) <=> NO2(60) + H2(4) # Reaction 313 + rate-constant: {A: 2.01e+08, b: 1.55, Ea: 6.614} + note: |- + Reaction index: Chemkin #313; RMG #271 + Library reaction: primaryNitrogenLibrary + Flux pairs: HONO(77), NO2(60); H(5), H2(4); +- equation: H(5) + HONO(77) <=> OH(7) + HNO(63) # Reaction 314 + rate-constant: {A: 5.64e+10, b: 0.86, Ea: 4.97} + note: |- + Reaction index: Chemkin #314; RMG #274 + Library reaction: primaryNitrogenLibrary + Flux pairs: HONO(77), HNO(63); H(5), OH(7); +- equation: HONO(77) + HONO(77) <=> NO(28) + NO2(60) + H2O(9) # Reaction 315 + rate-constant: {A: 0.349, b: 3.64, Ea: 12.14} + note: |- + Reaction index: Chemkin #315; RMG #275 + Library reaction: primaryNitrogenLibrary + Flux pairs: HONO(77), NO2(60); HONO(77), H2O(9); HONO(77), NO(28); +- equation: NO(28) + OH(7) (+M) <=> HONO(77) (+M) # Reaction 316 + type: falloff + low-P-rate-constant: {A: 3.4e+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} + efficiencies: {Ar: 1.1, N2(2): 2.0, NH3(1): 4.0} + note: |- + Reaction index: Chemkin #316; RMG #388 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), HONO(77); OH(7), HONO(77); +- equation: NO2(60) + NH2O(93) <=> HNO(63) + HONO(77) # Reaction 317 + rate-constant: {A: 8.0e+11, b: 0.0, Ea: 6.0} + note: |- + Reaction index: Chemkin #317; RMG #390 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HONO(77); NH2O(93), HNO(63); +- equation: HO2(10) + HONO(77) <=> NO2(60) + H2O2(11) # Reaction 318 + rate-constant: {A: 4.05386e-06, b: 5.046, Ea: 9.267} + note: |- + Reaction index: Chemkin #318; RMG #437 + Library reaction: primaryNitrogenLibrary + Flux pairs: HONO(77), NO2(60); HO2(10), H2O2(11); +- equation: HONO(77) + HNOH(76) <=> NO2(60) + NH2OH(94) # Reaction 319 + rate-constant: {A: 2731.65, b: 2.311, Ea: 4.392} + note: |- + Reaction index: Chemkin #319; RMG #439 + Library reaction: primaryNitrogenLibrary + Flux pairs: HONO(77), NO2(60); HNOH(76), NH2OH(94); +- equation: H(5) + HONO(77) <=> NO(28) + H2O(9) # Reaction 320 + rate-constant: {A: 502.962, b: 3.308, Ea: 9.894} + note: |- + Reaction index: Chemkin #320; RMG #443 + Library reaction: primaryNitrogenLibrary + Flux pairs: HONO(77), NO(28); H(5), H2O(9); +- equation: NO2(60) + NH2OH(94) <=> HONO(77) + NH2O(93) # Reaction 321 + rate-constant: {A: 1.28207e-07, b: 5.412, Ea: 5.628} + note: |- + Reaction index: Chemkin #321; RMG #444 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HONO(77); NH2OH(94), NH2O(93); +- equation: NH(37) + HONO(77) <=> NO2(60) + NH2(16) # Reaction 322 + rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #322; RMG #1027 + Library reaction: NOx2018 + Flux pairs: HONO(77), NO2(60); NH(37), NH2(16); +- equation: NO2(60) + HNOH(76) <=> HNO(63) + HONO(77) # Reaction 323 + rate-constant: {A: 6.0e+11, b: 0.0, Ea: 2.0} + note: |- + Reaction index: Chemkin #323; RMG #1048 + Library reaction: NOx2018 + Flux pairs: NO2(60), HONO(77); HNOH(76), HNO(63); +- equation: NO2(60) + HO2(10) <=> O2(3) + HONO(77) # Reaction 324 + rate-constant: {A: 1.9, b: 3.32, Ea: 3.044} + note: |- + Reaction index: Chemkin #324; RMG #1054 + Library reaction: NOx2018 + Flux pairs: NO2(60), HONO(77); HO2(10), O2(3); +- equation: O(8) + HONO(77) <=> NO2(60) + OH(7) # Reaction 325 + rate-constant: {A: 1.2e+13, b: 0.0, Ea: 5.96} + note: |- + Reaction index: Chemkin #325; RMG #1056 + Library reaction: NOx2018 + Flux pairs: HONO(77), NO2(60); O(8), OH(7); +- equation: OH(7) + HONO(77) <=> NO2(60) + H2O(9) # Reaction 326 + rate-constant: {A: 1.7e+12, b: 0.0, Ea: -0.52} + note: |- + Reaction index: Chemkin #326; RMG #1057 + Library reaction: NOx2018 + Flux pairs: HONO(77), NO2(60); OH(7), H2O(9); +- equation: HONO(77) + NO[O](227) <=> NO2(60) + NH2OOH(133) # Reaction 327 + rate-constant: {A: 4486.829, b: 2.72, Ea: 5.736} + note: |- + Reaction index: Chemkin #327; RMG #2042 + Template reaction: H_Abstraction + Flux pairs: HONO(77), NO2(60); NO[O](227), NH2OOH(133); + Estimated using average of templates [O_sec;O_rad/NonDeO] + [O/H/OneDeN;O_rad] for rate rule [O/H/OneDeN;O_rad/NonDeO] + Euclidian distance = 2.0 + family: H_Abstraction +- equation: NO2(60) + NNH(71) <=> N2(2) + HONO(77) # Reaction 328 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #328; RMG #2506 + Template reaction: Disproportionation + Flux pairs: NNH(71), N2(2); NO2(60), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C + Multiplied by reaction path degeneracy 2.0 +- equation: NO2(60) + H2NN(S)(18) <=> HONO(77) + NNH(71) # Reaction 329 + rate-constant: {A: 0.678292, b: 3.755, Ea: 8.482} + note: |- + Reaction index: Chemkin #329; RMG #2628 + Template reaction: H_Abstraction + Flux pairs: NO2(60), HONO(77); H2NN(S)(18), NNH(71); + Estimated using template [X_H;O_rad/OneDeN] for rate rule [N5dc_H;O_rad/OneDeN] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 4.0 + family: H_Abstraction +- equation: NO2(60) + N2H3(15) <=> HONO(77) + H2NN(S)(18) # Reaction 330 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 9.084} + note: |- + Reaction index: Chemkin #330; RMG #2952 + Template reaction: Disproportionation + Flux pairs: N2H3(15), H2NN(S)(18); NO2(60), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 + Multiplied by reaction path degeneracy 2.0 +- equation: NO2(60) + H(5) <=> HONO(77) # Reaction 331 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [13.0, 0.6297, -0.1065, 1.21e-03] + - [-0.3848, 0.2857, 0.01005, -6.979e-03] + - [-0.1153, 0.04235, 9.228e-03, 2.69e-04] + - [-0.02886, 3.913e-03, 1.569e-03, 4.184e-04] + - [-0.01127, 2.306e-03, 3.157e-04, 1.002e-05] + - [-8.058e-03, 3.19e-03, 2.863e-04, -8.415e-05] + note: |- + Reaction index: Chemkin #331; RMG #3043 + PDep reaction: PDepNetwork #120 + Flux pairs: NO2(60), HONO(77); H(5), HONO(77); +- equation: N2(2) + HONO(77) <=> NO2(60) + NNH(71) # Reaction 332 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-15.81, -8.148e-04, -4.986e-04, -2.332e-04] + - [13.56, 1.406e-04, 8.523e-05, 3.918e-05] + - [0.1135, -3.135e-04, -1.915e-04, -8.921e-05] + - [0.0201, -9.381e-06, -5.964e-06, -2.976e-06] + - [3.306e-03, -1.545e-06, -8.925e-07, -3.732e-07] + - [5.615e-04, 1.835e-06, 1.129e-06, 5.338e-07] + note: |- + Reaction index: Chemkin #332; RMG #3197 + PDep reaction: PDepNetwork #318 + Flux pairs: HONO(77), NO2(60); N2(2), NNH(71); +- equation: O2(3) + N2H3(15) <=> HO2(10) + H2NN(S)(18) # Reaction 333 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-3.999, -1.051e-05, -6.441e-06, -3.022e-06] + - [7.155, -1.742e-05, -1.068e-05, -5.009e-06] + - [0.09958, -1.16e-05, -7.111e-06, -3.335e-06] + - [0.0229, -6.708e-06, -4.112e-06, -1.929e-06] + - [4.602e-03, -3.514e-06, -2.154e-06, -1.01e-06] + - [9.914e-04, -1.706e-06, -1.046e-06, -4.905e-07] + note: |- + Reaction index: Chemkin #333; RMG #3316 + PDep reaction: PDepNetwork #281 + Flux pairs: O2(3), HO2(10); N2H3(15), H2NN(S)(18); +- equation: HONO(77) + NH3(1) <=> HNOH(76) + NH2O(93) # Reaction 334 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-16.07, -3.746e-03, -2.287e-03, -1.065e-03] + - [14.12, 1.291e-03, 7.866e-04, 3.648e-04] + - [0.1234, -4.746e-04, -2.886e-04, -1.335e-04] + - [0.0274, -2.957e-04, -1.802e-04, -8.359e-05] + - [5.341e-03, -3.739e-05, -2.284e-05, -1.065e-05] + - [9.77e-04, -7.896e-08, 2.503e-09, 4.372e-08] + note: |- + Reaction index: Chemkin #334; RMG #3329 + PDep reaction: PDepNetwork #314 + Flux pairs: HONO(77), NH2O(93); NH3(1), HNOH(76); +- equation: HO2(10) + HNO(63) <=> HONHOO(136) # Reaction 335 + rate-constant: {A: 3.35255, b: 2.966, Ea: 1.322} + note: |- + Reaction index: Chemkin #335; RMG #463 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), HONHOO(136); HNO(63), HONHOO(136); +- equation: HONHOO(136) <=> O2(3) + HNOH(76) # Reaction 336 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.31, 1.5, -2.697e-04, -1.261e-04] + - [-0.1853, -7.753e-04, -4.744e-04, -2.218e-04] + - [-0.02147, -5.636e-04, -3.447e-04, -1.611e-04] + - [-3.99e-03, -3.557e-04, -2.174e-04, -1.015e-04] + - [-1.011e-03, -2.012e-04, -1.229e-04, -5.73e-05] + - [-4.017e-04, -1.04e-04, -6.344e-05, -2.952e-05] + note: |- + Reaction index: Chemkin #336; RMG #3388 + PDep reaction: PDepNetwork #339 + Flux pairs: HONHOO(136), O2(3); HONHOO(136), HNOH(76); +- equation: HO2(10) + HO2(10) <=> O3(12) + H2O(9) # Reaction 337 + rate-constant: {A: 100.0, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #337; RMG #34 + Library reaction: primaryH2O2 + Flux pairs: HO2(10), O3(12); HO2(10), H2O(9); +- equation: O(8) + O2(3) + M <=> O3(12) + M # Reaction 338 + type: three-body + rate-constant: {A: 6.53e+17, b: -1.5, Ea: 0.0} + efficiencies: {Ar: 0.0, O3(12): 2.5, O(8): 4.0, O2(3): 0.95} + note: |- + Reaction index: Chemkin #338; RMG #35 + Library reaction: primaryH2O2 + Flux pairs: O(8), O3(12); O2(3), O3(12); +- equation: Ar + O(8) + O2(3) <=> Ar + O3(12) # Reaction 339 + duplicate: true + rate-constant: {A: 4.29e+17, b: -1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #339; RMG #36 + Library reaction: primaryH2O2 +- equation: Ar + O(8) + O2(3) <=> Ar + O3(12) # Reaction 340 + duplicate: true + rate-constant: {A: 5.1e+21, b: -3.2, Ea: 0.0} + note: |- + Reaction index: Chemkin #340; RMG #36 + Library reaction: primaryH2O2 +- equation: O(8) + O3(12) <=> O2(3) + O2(3) # Reaction 341 + rate-constant: {A: 4.82e+12, b: 0.0, Ea: 4.094} + note: |- + Reaction index: Chemkin #341; RMG #38 + Library reaction: primaryH2O2 + Flux pairs: O3(12), O2(3); O(8), O2(3); +- equation: O3(12) + H(5) <=> O2(3) + OH(7) # Reaction 342 + rate-constant: {A: 8.43e+13, b: 0.0, Ea: 0.934} + note: |- + Reaction index: Chemkin #342; RMG #39 + Library reaction: primaryH2O2 + Flux pairs: O3(12), O2(3); H(5), OH(7); +- equation: O3(12) + H(5) <=> O(8) + HO2(10) # Reaction 343 + rate-constant: {A: 100.0, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #343; RMG #40 + Library reaction: primaryH2O2 + Flux pairs: O3(12), HO2(10); H(5), O(8); +- equation: O3(12) + OH(7) <=> O2(3) + HO2(10) # Reaction 344 + rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.87} + note: |- + Reaction index: Chemkin #344; RMG #41 + Library reaction: primaryH2O2 + Flux pairs: O3(12), HO2(10); OH(7), O2(3); +- equation: O3(12) + HO2(10) <=> O2(3) + O2(3) + OH(7) # Reaction 345 + rate-constant: {A: 5.85e-04, b: 4.57, Ea: -1.377} + note: |- + Reaction index: Chemkin #345; RMG #42 + Library reaction: primaryH2O2 + Flux pairs: O3(12), O2(3); HO2(10), OH(7); HO2(10), O2(3); +- equation: O3(12) + H2(4) <=> OH(7) + HO2(10) # Reaction 346 + rate-constant: {A: 6.0e+10, b: 0.0, Ea: 20.0} + note: |- + Reaction index: Chemkin #346; RMG #43 + Library reaction: primaryH2O2 + Flux pairs: O3(12), HO2(10); H2(4), OH(7); +- equation: NO(28) + N2H4(22) <=> NH2(16) + NH2NO(73) # Reaction 347 + rate-constant: {A: 50.3, b: 2.98, Ea: 35.609} + note: |- + Reaction index: Chemkin #347; RMG #185 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), NH2NO(73); N2H4(22), NH2(16); +- equation: HONO(77) + NH3(1) <=> H2O(9) + NH2NO(73) # Reaction 348 + duplicate: true + rate-constant: {A: 9.64e-04, b: 4.24, Ea: 29.013} + note: |- + Reaction index: Chemkin #348; RMG #292 + Library reaction: primaryNitrogenLibrary +- equation: HONO(77) + NH3(1) <=> H2O(9) + NH2NO(73) # Reaction 349 + duplicate: true + rate-constant: {A: 1.08e-03, b: 4.26, Ea: 30.206} + note: |- + Reaction index: Chemkin #349; RMG #292 + Library reaction: primaryNitrogenLibrary +- equation: NO(28) + NH2(16) <=> NH2NO(73) # Reaction 350 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.1 atm, A: 1.9e+30, b: -6.67, Ea: 3.497} + - {P: 1.0 atm, A: 3.5e+31, b: -6.75, Ea: 3.725} + - {P: 10.0 atm, A: 1.7e+33, b: -6.92, Ea: 4.609} + note: |- + Reaction index: Chemkin #350; RMG #1623 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: NO(28), NH2NO(73); NH2(16), NH2NO(73); +- equation: OH(7) + H2NN(S)(18) <=> H(5) + NH2NO(73) # Reaction 351 + rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #351; RMG #1639 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: OH(7), NH2NO(73); H2NN(S)(18), H(5); +- equation: HO2(10) + H2NN(S)(18) <=> OH(7) + NH2NO(73) # Reaction 352 + rate-constant: {A: 6.6e+05, b: 1.94, Ea: 7.05} + note: |- + Reaction index: Chemkin #352; RMG #1644 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: HO2(10), NH2NO(73); H2NN(S)(18), OH(7); +- equation: O(8) + N2H3(15) <=> H(5) + NH2NO(73) # Reaction 353 + rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #353; RMG #1645 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: O(8), NH2NO(73); N2H3(15), H(5); +- equation: NH2NO(73) <=> N2(2) + H2O(9) # Reaction 354 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.1 atm, A: 4.1e+33, b: -7.78, Ea: 35.172} + - {P: 1.0 atm, A: 3.1e+34, b: -7.11, Ea: 36.284} + - {P: 10.0 atm, A: 2.9e+31, b: -5.91, Ea: 36.175} + note: |- + Reaction index: Chemkin #354; RMG #1684 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: NH2NO(73), N2(2); NH2NO(73), H2O(9); +- equation: NO2(60) + NH3(1) <=> OH(7) + NH2NO(73) # Reaction 355 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-11.38, -1.368e-03, -8.369e-04, -3.912e-04] + - [10.38, -1.783e-03, -1.09e-03, -5.094e-04] + - [-0.4091, -2.606e-04, -1.59e-04, -7.397e-05] + - [-0.1128, 4.322e-04, 2.643e-04, 1.235e-04] + - [8.446e-03, 3.483e-04, 2.126e-04, 9.905e-05] + - [0.01304, 1.173e-04, 7.137e-05, 3.306e-05] + note: |- + Reaction index: Chemkin #355; RMG #2431 + PDep reaction: PDepNetwork #109 + Flux pairs: NO2(60), NH2NO(73); NH3(1), OH(7); +- equation: H(5) + NH2NO(73) <=> HNO(63) + NH2(16) # Reaction 356 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.28, -0.2307, -0.07061, -5.087e-03] + - [-0.1404, -0.2417, -0.06357, -1.437e-03] + - [-0.2128, -0.03375, 1.25e-03, 6.745e-04] + - [-0.03554, 0.02553, 0.01465, 5.355e-04] + - [-0.02058, 0.01846, 8.649e-03, 8.542e-04] + - [-0.01376, 5.343e-03, 2.127e-03, 3.603e-04] + note: |- + Reaction index: Chemkin #356; RMG #4284 + PDep reaction: PDepNetwork #362 + Flux pairs: NH2NO(73), HNO(63); H(5), NH2(16); +- equation: NNO[O](309) <=> O2(3) + N2H3(15) # Reaction 357 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.32, 1.5, -1.619e-04, -7.58e-05] + - [-0.1861, -4.497e-04, -2.753e-04, -1.289e-04] + - [-0.0208, -3.094e-04, -1.894e-04, -8.863e-05] + - [-3.887e-03, -1.84e-04, -1.126e-04, -5.265e-05] + - [-8.519e-04, -9.853e-05, -6.026e-05, -2.815e-05] + - [-2.33e-04, -4.862e-05, -2.971e-05, -1.386e-05] + note: |- + Reaction index: Chemkin #357; RMG #3658 + PDep reaction: PDepNetwork #378 + Flux pairs: NNO[O](309), O2(3); NNO[O](309), N2H3(15); +- equation: NNO[O](309) <=> HO2(10) + N2H2(17) # Reaction 358 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-0.8272, 1.499, -5.873e-04, -2.746e-04] + - [6.088, -1.507e-03, -9.218e-04, -4.307e-04] + - [0.1667, -9.136e-04, -5.584e-04, -2.606e-04] + - [0.03184, -4.668e-04, -2.85e-04, -1.328e-04] + - [4.21e-03, -2.064e-04, -1.258e-04, -5.846e-05] + - [-1.044e-03, -7.821e-05, -4.756e-05, -2.2e-05] + note: |- + Reaction index: Chemkin #358; RMG #3657 + PDep reaction: PDepNetwork #378 + Flux pairs: NNO[O](309), HO2(10); NNO[O](309), N2H2(17); +- equation: NO2(60) + N2H4(22) <=> HNO2(74) + N2H3(15) # Reaction 359 + rate-constant: {A: 0.0241, b: 4.14, Ea: 7.947} + note: |- + Reaction index: Chemkin #359; RMG #186 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HNO2(74); N2H4(22), N2H3(15); +- equation: NO2(60) + N2H3(15) <=> HNO2(74) + N2H2(17) # Reaction 360 + rate-constant: {A: 5.12e+07, b: -0.2, Ea: -2.736} + note: |- + Reaction index: Chemkin #360; RMG #202 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HNO2(74); N2H3(15), N2H2(17); +- equation: NO2(60) + NH3(1) <=> HNO2(74) + NH2(16) # Reaction 361 + rate-constant: {A: 4.91, b: 3.41, Ea: 29.88} + note: |- + Reaction index: Chemkin #361; RMG #256 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HNO2(74); NH3(1), NH2(16); +- equation: HNO2(74) <=> HONO(77) # Reaction 362 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.1 atm, A: 1.09e+47, b: -11.48, Ea: 52.14} + - {P: 0.2154 atm, A: 1.6e+44, b: -10.63, Ea: 50.78} + - {P: 0.4641 atm, A: 2.01e+41, b: -9.74, Ea: 49.46} + - {P: 1.0 atm, A: 1.65e+38, b: -8.79, Ea: 48.16} + - {P: 2.154 atm, A: 7.49e+34, b: -7.73, Ea: 46.88} + - {P: 4.641 atm, A: 2.32e+31, b: -6.6, Ea: 45.68} + - {P: 10.0 atm, A: 9.05e+27, b: -5.47, Ea: 44.66} + - {P: 21.54 atm, A: 8.53e+24, b: -4.44, Ea: 43.88} + - {P: 46.41 atm, A: 2.73e+22, b: -3.55, Ea: 43.38} + - {P: 100.0 atm, A: 2.67e+20, b: -2.8, Ea: 43.12} + note: |- + Reaction index: Chemkin #362; RMG #385 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO2(74), HONO(77); +- equation: NH(37) + HNO2(74) <=> NO2(60) + NH2(16) # Reaction 363 + rate-constant: {A: 73.1449, b: 3.491, Ea: -0.515} + note: |- + Reaction index: Chemkin #363; RMG #408 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO2(74), NO2(60); NH(37), NH2(16); +- equation: NO2(60) + HNO(63) <=> NO(28) + HNO2(74) # Reaction 364 + rate-constant: {A: 175.432, b: 3.222, Ea: 7.491} + note: |- + Reaction index: Chemkin #364; RMG #431 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HNO2(74); HNO(63), NO(28); +- equation: NO2(60) + N2H2(17) <=> HNO2(74) + NNH(71) # Reaction 365 + rate-constant: {A: 2.26061e-04, b: 4.912, Ea: 4.498} + note: |- + Reaction index: Chemkin #365; RMG #433 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HNO2(74); N2H2(17), NNH(71); +- equation: NO2(60) + HNO2(74) <=> NO2(60) + HONO(77) # Reaction 366 + rate-constant: {A: 1.74489e-21, b: 9.442, Ea: 16.818} + note: |- + Reaction index: Chemkin #366; RMG #434 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO2(74), HONO(77); NO2(60), NO2(60); +- equation: HO2(10) + HNO2(74) <=> NO2(60) + H2O2(11) # Reaction 367 + rate-constant: {A: 2.13862e-03, b: 4.537, Ea: 0.208} + note: |- + Reaction index: Chemkin #367; RMG #438 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO2(74), NO2(60); HO2(10), H2O2(11); +- equation: HNO2(74) + NH2O(93) <=> NO2(60) + NH2OH(94) # Reaction 368 + rate-constant: {A: 4.95354e-05, b: 4.886, Ea: 1.247} + note: |- + Reaction index: Chemkin #368; RMG #440 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO2(74), NO2(60); NH2O(93), NH2OH(94); +- equation: HNO2(74) + NH2O(93) <=> HONO(77) + HNOH(76) # Reaction 369 + rate-constant: {A: 0.855685, b: 3.382, Ea: -2.051} + note: |- + Reaction index: Chemkin #369; RMG #464 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO2(74), HONO(77); NH2O(93), HNOH(76); +- equation: HO2(10) + HNO(63) <=> OH(7) + HNO2(74) # Reaction 370 + rate-constant: {A: 2000.0, b: 2.36, Ea: 8.98} + note: |- + Reaction index: Chemkin #370; RMG #1051 + Library reaction: NOx2018 + Flux pairs: HO2(10), HNO2(74); HNO(63), OH(7); +- equation: NO2(60) + HO2(10) <=> O2(3) + HNO2(74) # Reaction 371 + rate-constant: {A: 19.0, b: 3.26, Ea: 4.983} + note: |- + Reaction index: Chemkin #371; RMG #1055 + Library reaction: NOx2018 + Flux pairs: NO2(60), HNO2(74); HO2(10), O2(3); +- equation: NO2(60) + H2(4) <=> H(5) + HNO2(74) # Reaction 372 + rate-constant: {A: 240.0, b: 3.15, Ea: 31.1} + note: |- + Reaction index: Chemkin #372; RMG #1058 + Library reaction: NOx2018 + Flux pairs: NO2(60), HNO2(74); H2(4), H(5); +- equation: O(8) + HNO2(74) <=> NO2(60) + OH(7) # Reaction 373 + rate-constant: {A: 1.7e+08, b: 1.5, Ea: 2.0} + note: |- + Reaction index: Chemkin #373; RMG #1059 + Library reaction: NOx2018 + Flux pairs: HNO2(74), NO2(60); O(8), OH(7); +- equation: OH(7) + HNO2(74) <=> NO2(60) + H2O(9) # Reaction 374 + rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #374; RMG #1060 + Library reaction: NOx2018 + Flux pairs: HNO2(74), NO2(60); OH(7), H2O(9); +- equation: NO2(60) + NH2O(93) <=> HNO(63) + HNO2(74) # Reaction 375 + rate-constant: {A: 7.383e+08, b: 1.263, Ea: 7.481} + note: |- + Reaction index: Chemkin #375; RMG #2031 + Template reaction: Disproportionation + Flux pairs: NH2O(93), HNO(63); NO2(60), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS + Multiplied by reaction path degeneracy 2.0 +- equation: HNO2(74) + NO[O](227) <=> NO2(60) + NH2OOH(133) # Reaction 376 + rate-constant: {A: 2.153571e+05, b: 2.16, Ea: 4.185} + note: |- + Reaction index: Chemkin #376; RMG #2044 + Template reaction: H_Abstraction + Flux pairs: HNO2(74), NO2(60); NO[O](227), NH2OOH(133); + Estimated using average of templates [X_H;O_rad/NonDeO] + [N5dc_H;O_rad] for rate rule [N5dc_H;O_rad/NonDeO] + Euclidian distance = 2.0 + family: H_Abstraction +- equation: HNO(63) + HNO(63) <=> NH(37) + HNO2(74) # Reaction 377 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-3.583, -3.603e-06, -2.208e-06, -1.036e-06] + - [6.467, 1.861e-06, 1.141e-06, 5.351e-07] + - [0.1126, 3.227e-08, 1.978e-08, 9.281e-09] + - [0.01877, 7.623e-09, 4.672e-09, 2.192e-09] + - [2.558e-03, 4.043e-10, 2.478e-10, 1.162e-10] + - [3.99e-04, -7.273e-11, -4.459e-11, -2.091e-11] + note: |- + Reaction index: Chemkin #377; RMG #2081 + PDep reaction: PDepNetwork #86 + Flux pairs: HNO(63), HNO2(74); HNO(63), NH(37); +- equation: HNO2(74) + HNOH(76) <=> NO2(60) + NH2OH(94) # Reaction 378 + rate-constant: {A: 9.2e+05, b: 1.94, Ea: 0.87} + note: |- + Reaction index: Chemkin #378; RMG #2129 + Template reaction: H_Abstraction + Flux pairs: HNO2(74), NO2(60); HNOH(76), NH2OH(94); + Estimated using template [N5dc_H;N3s_rad] for rate rule [N5dc_H;N3s_rad_pri] + Euclidian distance = 1.0 + family: H_Abstraction +- equation: NO2(60) + HNOH(76) <=> HNO(63) + HNO2(74) # Reaction 379 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 5.925} + note: |- + Reaction index: Chemkin #379; RMG #2227 + Template reaction: Disproportionation + Flux pairs: HNOH(76), HNO(63); NO2(60), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NO2(60) + NNH(71) <=> N2(2) + HNO2(74) # Reaction 380 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #380; RMG #2516 + Template reaction: Disproportionation + Flux pairs: NNH(71), N2(2); NO2(60), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: NO2(60) + H2NN(S)(18) <=> HNO2(74) + NNH(71) # Reaction 381 + rate-constant: {A: 7.65502e+06, b: 1.828, Ea: 2.27} + note: |- + Reaction index: Chemkin #381; RMG #2631 + Template reaction: H_Abstraction + Flux pairs: NO2(60), HNO2(74); H2NN(S)(18), NNH(71); + Estimated using template [N5dc_H;Y_rad] for rate rule [N5dc_H;N5dc_rad] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: NO2(60) + N2H3(15) <=> HNO2(74) + H2NN(S)(18) # Reaction 382 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 12.785} + note: |- + Reaction index: Chemkin #382; RMG #2959 + Template reaction: Disproportionation + Flux pairs: N2H3(15), H2NN(S)(18); NO2(60), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: NO2(60) + H(5) <=> HNO2(74) # Reaction 383 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.66, 0.3838, -0.1104, 9.076e-03] + - [-0.7552, 0.07938, -3.652e-03, -5.372e-03] + - [-0.1192, 0.02369, -1.887e-03, -1.292e-03] + - [-0.02394, 6.019e-03, -7.958e-04, -4.943e-05] + - [-5.075e-03, 1.158e-03, -5.456e-05, -3.142e-05] + - [-1.133e-03, 2.5e-04, -1.372e-05, -6.514e-06] + note: |- + Reaction index: Chemkin #383; RMG #3664 + PDep reaction: PDepNetwork #121 + Flux pairs: NO2(60), HNO2(74); H(5), HNO2(74); +- equation: ONONO2(78) + H2O(9) <=> HONO(77) + HNO3(80) # Reaction 384 + rate-constant: {A: 1.93e+06, b: 1.88, Ea: 4.064} + note: |- + Reaction index: Chemkin #384; RMG #216 + Library reaction: primaryNitrogenLibrary + Flux pairs: ONONO2(78), HNO3(80); H2O(9), HONO(77); +- equation: HNO3(80) + NH2(16) <=> HONO(77) + NH2O(93) # Reaction 385 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.001316 atm, A: 8.91e+04, b: 2.0, Ea: 24.641} + - {P: 0.013158 atm, A: 1.36e+07, b: 1.4, Ea: 26.39} + - {P: 0.131579 atm, A: 5.09e+08, b: 0.99, Ea: 28.353} + - {P: 1.0 atm, A: 1.73e+08, b: 1.17, Ea: 29.562} + - {P: 10.0 atm, A: 7.17e+04, b: 2.19, Ea: 29.87} + - {P: 100.0 atm, A: 0.0346, b: 4.04, Ea: 28.946} + note: |- + Reaction index: Chemkin #385; RMG #259 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO3(80), HONO(77); NH2(16), NH2O(93); +- equation: NO2(60) + HONO(77) <=> NO(28) + HNO3(80) # Reaction 386 + duplicate: true + rate-constant: {A: 303.0, b: 3.33, Ea: 32.644} + note: |- + Reaction index: Chemkin #386; RMG #266 + Library reaction: primaryNitrogenLibrary +- equation: NO2(60) + HONO(77) <=> NO(28) + HNO3(80) # Reaction 387 + duplicate: true + rate-constant: {A: 200.0, b: 3.28, Ea: 30.692} + note: |- + Reaction index: Chemkin #387; RMG #266 + Library reaction: primaryNitrogenLibrary +- equation: H(5) + HNO3(80) <=> OH(7) + HONO(77) # Reaction 388 + rate-constant: {A: 3.82e+05, b: 2.3, Ea: 6.977} + note: |- + Reaction index: Chemkin #388; RMG #277 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO3(80), HONO(77); H(5), OH(7); +- equation: H(5) + HNO3(80) <=> NO2(60) + H2O(9) # Reaction 389 + rate-constant: {A: 60.8, b: 3.29, Ea: 6.286} + note: |- + Reaction index: Chemkin #389; RMG #278 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO3(80), NO2(60); H(5), H2O(9); +- equation: HNO3(80) + NH3(1) <=> H2O(9) + H2NNO2(98) # Reaction 390 + rate-constant: {A: 0.81, b: 3.47, Ea: 43.06} + note: |- + Reaction index: Chemkin #390; RMG #287 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO3(80), H2NNO2(98); NH3(1), H2O(9); +- equation: O3(12) + HONO(77) <=> O2(3) + HNO3(80) # Reaction 391 + duplicate: true + rate-constant: {A: 0.153, b: 3.22, Ea: 21.539} + note: |- + Reaction index: Chemkin #391; RMG #291 + Library reaction: primaryNitrogenLibrary +- equation: O3(12) + HONO(77) <=> O2(3) + HNO3(80) # Reaction 392 + duplicate: true + rate-constant: {A: 0.707, b: 3.41, Ea: 13.127} + note: |- + Reaction index: Chemkin #392; RMG #291 + Library reaction: primaryNitrogenLibrary +- equation: NO2(60) + OH(7) (+M) <=> HNO3(80) (+M) # Reaction 393 + type: falloff + low-P-rate-constant: {A: 1.2e+42, b: -8.8, Ea: 3.118} + high-P-rate-constant: {A: 2.85e+15, b: -0.82, Ea: -0.042} + note: |- + Reaction index: Chemkin #393; RMG #294 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), HNO3(80); OH(7), HNO3(80); + Reaction library: 'primaryNitrogenLibrary' +- equation: NO(28) + HO2(10) (+M) <=> HNO3(80) (+M) # Reaction 394 + type: falloff + low-P-rate-constant: {A: 1.2e+42, b: -8.8, Ea: 3.118} + high-P-rate-constant: {A: 2.85e+15, b: -0.82, Ea: -0.042} + note: |- + Reaction index: Chemkin #394; RMG #344 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), HNO3(80); HO2(10), HNO3(80); +- equation: NON(239) <=> HNO(63) + NH3(1) # Reaction 395 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-5.287, 1.48, -0.01224, -5.544e-03] + - [7.575, 0.01704, 0.01013, 4.495e-03] + - [0.01055, -3.238e-03, -1.872e-03, -7.854e-04] + - [0.02383, -2.047e-04, -1.453e-04, -8.439e-05] + - [0.01598, -1.908e-04, -1.147e-04, -5.204e-05] + - [7.47e-03, -1.971e-04, -1.161e-04, -5.054e-05] + note: |- + Reaction index: Chemkin #395; RMG #3859 + PDep reaction: PDepNetwork #399 + Flux pairs: NON(239), HNO(63); NON(239), NH3(1); +- equation: NH2(16) + NH2O(93) <=> NON(239) # Reaction 396 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.02, 0.9376, -0.1074, -0.01019] + - [-0.8037, 0.3803, 0.04354, -5.673e-03] + - [-0.1493, 0.01582, 0.01253, 4.001e-03] + - [-0.01201, -6.839e-03, -8.251e-04, 3.184e-04] + - [7.901e-03, -3.03e-03, -9.738e-04, -1.903e-04] + - [5.325e-03, -1.072e-03, -3.44e-04, 2.367e-05] + note: |- + Reaction index: Chemkin #396; RMG #2659 + PDep reaction: PDepNetwork #64 + Flux pairs: NH2(16), NON(239); NH2O(93), NON(239); +- equation: HO2(10) + HNOH(76) <=> OH(7) + HONHO(221) # Reaction 397 + rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #397; RMG #1651 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: HO2(10), HONHO(221); HNOH(76), OH(7); +- equation: O(8) + HONHO(221) <=> O2(3) + HNOH(76) # Reaction 398 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [13.21, -1.364e-03, -8.338e-04, -3.891e-04] + - [0.2993, -2.29e-03, -1.399e-03, -6.526e-04] + - [0.01267, -1.482e-03, -9.044e-04, -4.211e-04] + - [-0.01488, -7.8e-04, -4.754e-04, -2.208e-04] + - [-0.01183, -3.408e-04, -2.072e-04, -9.577e-05] + - [-6.321e-03, -1.221e-04, -7.387e-05, -3.384e-05] + note: |- + Reaction index: Chemkin #398; RMG #4132 + PDep reaction: PDepNetwork #407 + Flux pairs: HONHO(221), O2(3); O(8), HNOH(76); +- equation: NH2(16) + HONHO(221) <=> HONO(77) + NH3(1) # Reaction 399 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.0} + note: |- + Reaction index: Chemkin #399; RMG #3048 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); NH2(16), NH3(1); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_N-2R!H->N +- equation: H(5) + HONHO(221) <=> HONO(77) + H2(4) # Reaction 400 + rate-constant: {A: 4.8e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #400; RMG #3053 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); H(5), H2(4); + Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_N-2NO->N +- equation: NH(37) + HONHO(221) <=> HONO(77) + NH2(16) # Reaction 401 + rate-constant: {A: 1.59386e+10, b: 0.994, Ea: 0.0} + note: |- + Reaction index: Chemkin #401; RMG #3055 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); NH(37), NH2(16); + Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS +- equation: O2(3) + HONHO(221) <=> HO2(10) + HONO(77) # Reaction 402 + rate-constant: {A: 1.446e+13, b: 0.0, Ea: 14.135} + note: |- + Reaction index: Chemkin #402; RMG #3058 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); O2(3), HO2(10); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS + Multiplied by reaction path degeneracy 2.0 +- equation: HO2(10) + HONHO(221) <=> HONO(77) + H2O2(11) # Reaction 403 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #403; RMG #3062 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); HO2(10), H2O2(11); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N +- equation: HONHO(221) + N2H3(15) <=> HONO(77) + N2H4(22) # Reaction 404 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.0} + note: |- + Reaction index: Chemkin #404; RMG #3064 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); N2H3(15), N2H4(22); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: O(8) + HONHO(221) <=> OH(7) + HONO(77) # Reaction 405 + rate-constant: {A: 3.3e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #405; RMG #3069 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); O(8), OH(7); + Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N +- equation: OH(7) + HONHO(221) <=> HONO(77) + H2O(9) # Reaction 406 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #406; RMG #3071 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); OH(7), H2O(9); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C +- equation: HONHO(221) + NO[O](227) <=> HONO(77) + NH2OOH(133) # Reaction 407 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #407; RMG #3073 + Template reaction: Disproportionation + Flux pairs: NO[O](227), NH2OOH(133); HONHO(221), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N +- equation: NO(28) + HONHO(221) <=> HNO(63) + HONO(77) # Reaction 408 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 4.39} + note: |- + Reaction index: Chemkin #408; RMG #3077 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); NO(28), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: NH2O(93) + HONHO(221) <=> HONO(77) + NH2OH(94) # Reaction 409 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 0.455} + note: |- + Reaction index: Chemkin #409; RMG #3084 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); NH2O(93), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C +- equation: HNOH(76) + HONHO(221) <=> HONO(77) + NH2OH(94) # Reaction 410 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.0} + note: |- + Reaction index: Chemkin #410; RMG #3086 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); HNOH(76), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: NNH(71) + HONHO(221) <=> HONO(77) + N2H2(17) # Reaction 411 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 1.052} + note: |- + Reaction index: Chemkin #411; RMG #3101 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); NNH(71), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: NNH(71) + HONHO(221) <=> HONO(77) + H2NN(S)(18) # Reaction 412 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 7.326} + note: |- + Reaction index: Chemkin #412; RMG #3112 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); NNH(71), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: NO2(60) + HONHO(221) <=> HONO(77) + HONO(77) # Reaction 413 + rate-constant: {A: 4.8e+06, b: 2.0, Ea: 0.356} + note: |- + Reaction index: Chemkin #413; RMG #3133 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); NO2(60), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C + Multiplied by reaction path degeneracy 2.0 +- equation: HONO(77) + NH3(1) <=> NH2(16) + HONHO(221) # Reaction 414 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-15.78, -2.581e-03, -1.577e-03, -7.352e-04] + - [14.1, 1.275e-03, 7.775e-04, 3.612e-04] + - [0.1714, -3.993e-04, -2.432e-04, -1.128e-04] + - [0.02879, -1.952e-04, -1.192e-04, -5.552e-05] + - [3.58e-03, -1.474e-05, -9.075e-06, -4.293e-06] + - [2.198e-04, -1.42e-06, -8.413e-07, -3.701e-07] + note: |- + Reaction index: Chemkin #414; RMG #3330 + PDep reaction: PDepNetwork #314 + Flux pairs: HONO(77), HONHO(221); NH3(1), NH2(16); +- equation: O(8) + HONHO(221) <=> HONHOO(136) # Reaction 415 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.956, 1.499, -8.379e-04, -3.91e-04] + - [1.565, -2.293e-03, -1.401e-03, -6.533e-04] + - [0.1942, -1.465e-03, -8.94e-04, -4.163e-04] + - [0.0121, -7.515e-04, -4.58e-04, -2.126e-04] + - [-8.847e-03, -3.13e-04, -1.902e-04, -8.784e-05] + - [-6.493e-03, -1.021e-04, -6.166e-05, -2.815e-05] + note: |- + Reaction index: Chemkin #415; RMG #4131 + PDep reaction: PDepNetwork #407 + Flux pairs: O(8), HONHOO(136); HONHO(221), HONHOO(136); +- equation: NH2(16) + HONHO(221) <=> HNO2(74) + NH3(1) # Reaction 416 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.0} + note: |- + Reaction index: Chemkin #416; RMG #3665 + Template reaction: Disproportionation + Flux pairs: NH2(16), NH3(1); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: H(5) + HONHO(221) <=> HNO2(74) + H2(4) # Reaction 417 + rate-constant: {A: 4.8e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #417; RMG #3667 + Template reaction: Disproportionation + Flux pairs: H(5), H2(4); HONHO(221), HNO2(74); + Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_N-2R!H->C +- equation: NH(37) + HONHO(221) <=> HNO2(74) + NH2(16) # Reaction 418 + rate-constant: {A: 6.06985e+13, b: -0.073, Ea: 1.39} + note: |- + Reaction index: Chemkin #418; RMG #3669 + Template reaction: Disproportionation + Flux pairs: NH(37), NH2(16); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O +- equation: O2(3) + HONHO(221) <=> HO2(10) + HNO2(74) # Reaction 419 + rate-constant: {A: 2.54276e+08, b: 1.573, Ea: 0.0} + note: |- + Reaction index: Chemkin #419; RMG #3672 + Template reaction: Disproportionation + Flux pairs: O2(3), HO2(10); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O + Multiplied by reaction path degeneracy 2.0 +- equation: HO2(10) + HONHO(221) <=> HNO2(74) + H2O2(11) # Reaction 420 + rate-constant: {A: 2.94e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #420; RMG #3676 + Template reaction: Disproportionation + Flux pairs: HO2(10), H2O2(11); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N +- equation: HONHO(221) + N2H3(15) <=> HNO2(74) + N2H4(22) # Reaction 421 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.447} + note: |- + Reaction index: Chemkin #421; RMG #3678 + Template reaction: Disproportionation + Flux pairs: N2H3(15), N2H4(22); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: O(8) + HONHO(221) <=> OH(7) + HNO2(74) # Reaction 422 + rate-constant: {A: 3.3e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #422; RMG #3682 + Template reaction: Disproportionation + Flux pairs: O(8), OH(7); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_N-2R!H->C +- equation: OH(7) + HONHO(221) <=> HNO2(74) + H2O(9) # Reaction 423 + rate-constant: {A: 1.27138e+08, b: 1.573, Ea: 0.0} + note: |- + Reaction index: Chemkin #423; RMG #3684 + Template reaction: Disproportionation + Flux pairs: OH(7), H2O(9); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O +- equation: HONHO(221) + NO[O](227) <=> HNO2(74) + NH2OOH(133) # Reaction 424 + rate-constant: {A: 2.94e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #424; RMG #3686 + Template reaction: Disproportionation + Flux pairs: NO[O](227), NH2OOH(133); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N +- equation: NO(28) + HONHO(221) <=> HNO(63) + HNO2(74) # Reaction 425 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 8.483} + note: |- + Reaction index: Chemkin #425; RMG #3690 + Template reaction: Disproportionation + Flux pairs: NO(28), HNO2(74); HONHO(221), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NH2O(93) + HONHO(221) <=> HNO2(74) + NH2OH(94) # Reaction 426 + rate-constant: {A: 2.94e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #426; RMG #3697 + Template reaction: Disproportionation + Flux pairs: NH2O(93), NH2OH(94); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N +- equation: HNOH(76) + HONHO(221) <=> HNO2(74) + NH2OH(94) # Reaction 427 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.257} + note: |- + Reaction index: Chemkin #427; RMG #3699 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HNO2(74); HNOH(76), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NNH(71) + HONHO(221) <=> HNO2(74) + N2H2(17) # Reaction 428 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 3.423} + note: |- + Reaction index: Chemkin #428; RMG #3711 + Template reaction: Disproportionation + Flux pairs: NNH(71), HNO2(74); HONHO(221), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NNH(71) + HONHO(221) <=> HNO2(74) + H2NN(S)(18) # Reaction 429 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 12.311} + note: |- + Reaction index: Chemkin #429; RMG #3721 + Template reaction: Disproportionation + Flux pairs: NNH(71), HNO2(74); HONHO(221), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NO2(60) + HONHO(221) <=> HNO2(74) + HONO(77) # Reaction 430 + duplicate: true + rate-constant: {A: 5.88e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #430; RMG #3740 + Template reaction: Disproportionation + Flux pairs: NO2(60), HNO2(74); HONHO(221), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: NO2(60) + HONHO(221) <=> HNO2(74) + HONO(77) # Reaction 431 + duplicate: true + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.345} + note: |- + Reaction index: Chemkin #431; RMG #3743 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); NO2(60), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: NO2(60) + HONHO(221) <=> HNO2(74) + HNO2(74) # Reaction 432 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 1.977} + note: |- + Reaction index: Chemkin #432; RMG #3754 + Template reaction: Disproportionation + Flux pairs: NO2(60), HNO2(74); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: OH(7) + HNO(63) <=> HONHO(221) # Reaction 433 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [7.932, 0.6531, -0.0854, 0.03171] + - [-0.1203, -0.1142, -3.614e-03, -1.033e-03] + - [-0.4161, 0.08675, -2.766e-03, -5.368e-03] + - [-0.09195, 0.02363, 3.265e-04, -3.194e-04] + - [-0.01677, -2.249e-03, 1.313e-03, 8.775e-04] + - [-1.679e-03, -3.737e-03, 9.104e-04, 3.045e-04] + note: |- + Reaction index: Chemkin #433; RMG #3868 + PDep reaction: PDepNetwork #84 + Flux pairs: OH(7), HONHO(221); HNO(63), HONHO(221); +- equation: H(5) + HNO2(74) <=> OH(7) + HNO(63) # Reaction 434 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.8, -0.2615, -0.08765, -6.96e-03] + - [0.0194, 0.01725, 0.01981, 5.664e-03] + - [-0.4949, 0.111, 0.03218, -9.548e-04] + - [-0.1066, 0.01607, -1.424e-04, -1.327e-03] + - [-6.616e-03, -0.01224, -3.325e-03, 6.712e-04] + - [-6.288e-04, -3.904e-03, 1.882e-04, 4.105e-04] + note: |- + Reaction index: Chemkin #434; RMG #3898 + PDep reaction: PDepNetwork #385 + Flux pairs: HNO2(74), HNO(63); H(5), OH(7); +- equation: O(8) + HNOH(76) <=> HONHO(221) # Reaction 435 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.841, 1.498, -9.827e-04, -4.594e-04] + - [-0.1605, 1.101e-03, 6.73e-04, 3.142e-04] + - [-0.1543, 4.061e-04, 2.484e-04, 1.16e-04] + - [0.023, -2.748e-04, -1.678e-04, -7.813e-05] + - [2.283e-03, 4.549e-06, 2.705e-06, 1.199e-06] + - [1.283e-03, 2.71e-05, 1.651e-05, 7.662e-06] + note: |- + Reaction index: Chemkin #435; RMG #3877 + PDep reaction: PDepNetwork #143 + Flux pairs: O(8), HONHO(221); HNOH(76), HONHO(221); +- equation: O(8) + HNOH(76) <=> H(5) + HNO2(74) # Reaction 436 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.67, -1.445e-03, -8.843e-04, -4.136e-04] + - [0.2597, 1.089e-03, 6.659e-04, 3.111e-04] + - [-0.05993, 3.402e-04, 2.081e-04, 9.733e-05] + - [0.03483, -2.663e-04, -1.627e-04, -7.582e-05] + - [-3.988e-04, 1.152e-05, 6.959e-06, 3.18e-06] + - [-9.926e-04, 2.553e-05, 1.557e-05, 7.235e-06] + note: |- + Reaction index: Chemkin #436; RMG #3878 + PDep reaction: PDepNetwork #143 + Flux pairs: HNOH(76), HNO2(74); O(8), H(5); +- equation: O(8) + HNOH(76) <=> H(5) + HONO(77) # Reaction 437 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.26, -2.759e-03, -1.687e-03, -7.878e-04] + - [-0.4188, 7.567e-04, 4.613e-04, 2.143e-04] + - [0.09743, 1.135e-03, 6.939e-04, 3.237e-04] + - [0.01326, -1.471e-04, -8.91e-05, -4.091e-05] + - [-0.02435, -1.752e-04, -1.071e-04, -5.0e-05] + - [1.551e-03, -1.439e-06, -1.119e-06, -7.235e-07] + note: |- + Reaction index: Chemkin #437; RMG #3879 + PDep reaction: PDepNetwork #143 + Flux pairs: HNOH(76), HONO(77); O(8), H(5); +- equation: H(5) + HONO(77) <=> HONHO(221) # Reaction 438 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.662, 0.344, -0.0767, -5.975e-03] + - [1.161, 0.2297, -0.04139, 6.976e-03] + - [-0.08243, 0.0844, 0.02671, 6.379e-03] + - [-0.06392, 6.855e-03, 2.022e-03, -2.666e-03] + - [-0.01688, -8.078e-04, -1.724e-03, -4.539e-04] + - [5.927e-04, -1.719e-03, 1.103e-04, 7.177e-04] + note: |- + Reaction index: Chemkin #438; RMG #3886 + PDep reaction: PDepNetwork #322 + Flux pairs: H(5), HONHO(221); HONO(77), HONHO(221); +- equation: H(5) + HNO2(74) <=> H(5) + HONO(77) # Reaction 439 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.08, -0.2579, -0.1015, -0.01833] + - [1.581, 0.05724, 0.03069, 6.151e-03] + - [-0.1209, 0.1207, 0.04233, 5.278e-03] + - [-0.07673, 1.617e-03, -4.708e-03, -2.147e-03] + - [5.884e-03, -0.016, -5.115e-03, -1.506e-04] + - [5.1e-03, -2.021e-03, 9.688e-04, 7.281e-04] + note: |- + Reaction index: Chemkin #439; RMG #3897 + PDep reaction: PDepNetwork #385 + Flux pairs: HNO2(74), HONO(77); H(5), H(5); +- equation: H(5) + HNO2(74) <=> HONHO(221) # Reaction 440 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.245, 1.129, -0.1074, -7.565e-04] + - [1.226, -0.05152, 9.919e-03, 8.037e-03] + - [-0.2873, 0.1169, 0.03055, -3.453e-03] + - [-0.06618, 0.02608, 7.325e-04, -1.566e-03] + - [1.6e-03, -9.851e-03, -2.303e-03, 1.041e-03] + - [3.613e-03, -4.66e-03, 4.014e-04, 4.498e-04] + note: |- + Reaction index: Chemkin #440; RMG #3895 + PDep reaction: PDepNetwork #385 + Flux pairs: H(5), HONHO(221); HNO2(74), HONHO(221); +- equation: NO2(60) + HONHO(221) <=> HNO2(74) + HONO(77) # Reaction 441 + duplicate: true + rate-constant: {A: 5.88e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #441; RMG #3967 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HNO2(74); NO2(60), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: NO2(60) + HONHO(221) <=> HNO2(74) + HONO(77) # Reaction 442 + duplicate: true + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.345} + note: |- + Reaction index: Chemkin #442; RMG #3975 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); NO2(60), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: HNO(63) + NH2NO(73) <=> NH(37) + H2NNO2(98) # Reaction 443 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-10.92, -5.306e-06, -3.252e-06, -1.526e-06] + - [10.41, 2.886e-06, 1.769e-06, 8.299e-07] + - [0.086, -4.889e-08, -2.997e-08, -1.406e-08] + - [0.01853, -6.813e-09, -4.176e-09, -1.959e-09] + - [3.192e-03, -1.574e-09, -9.649e-10, -4.527e-10] + - [3.788e-04, -3.306e-10, -2.026e-10, -9.506e-11] + note: |- + Reaction index: Chemkin #443; RMG #4147 + PDep reaction: PDepNetwork #357 + Flux pairs: NH2NO(73), H2NNO2(98); HNO(63), NH(37); +- equation: N2O4(82) + N2H3(15) <=> NO2(60) + HONO(77) + N2H2(17) # Reaction 444 + rate-constant: {A: 8.55e+10, b: 0.74, Ea: 11.707} + note: |- + Reaction index: Chemkin #444; RMG #205 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O4(82), HONO(77); N2H3(15), N2H2(17); N2H3(15), NO2(60); +- equation: N2O4(82) + N2H2(17) <=> NO2(60) + HONO(77) + NNH(71) # Reaction 445 + rate-constant: {A: 8.79, b: 3.1, Ea: 28.787} + note: |- + Reaction index: Chemkin #445; RMG #212 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O4(82), HONO(77); N2H2(17), NNH(71); N2H2(17), NO2(60); +- equation: N2O4(82) + N2H2(17) <=> N2(2) + HNO2(74) + HONO(77) # Reaction 446 + rate-constant: {A: 0.0238, b: 3.9, Ea: 13.36} + note: |- + Reaction index: Chemkin #446; RMG #213 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O4(82), HONO(77); N2H2(17), N2(2); N2H2(17), HNO2(74); +- equation: N2O4(82) + H2O(9) <=> HONO(77) + HNO3(80) # Reaction 447 + rate-constant: {A: 0.0458, b: 4.53, Ea: 29.83} + note: |- + Reaction index: Chemkin #447; RMG #215 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O4(82), HNO3(80); H2O(9), HONO(77); +- equation: NO2(60) + NO2(60) <=> N2O4(82) # Reaction 448 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.689, 1.42, -0.02274, -4.96e-03] + - [-0.5728, 0.06779, 0.01443, 1.116e-03] + - [0.06499, -8.747e-03, -1.294e-03, -1.799e-04] + - [0.03078, -1.203e-04, -4.357e-04, 1.001e-05] + - [2.554e-03, 2.369e-03, -6.932e-04, -9.817e-05] + - [3.628e-03, -4.536e-03, 1.266e-03, 1.605e-04] + note: |- + Reaction index: Chemkin #448; RMG #2108 + PDep reaction: PDepNetwork #125 + Flux pairs: NO2(60), N2O4(82); NO2(60), N2O4(82); +- equation: NO2(60) + N2H3(15) <=> HONO(77) + H2NN(S)(18) # Reaction 449 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-0.6236, -2.669e-05, -1.636e-05, -7.672e-06] + - [4.393, -8.807e-06, -5.397e-06, -2.532e-06] + - [0.1019, -8.641e-06, -5.296e-06, -2.484e-06] + - [0.02199, -3.952e-06, -2.422e-06, -1.136e-06] + - [4.474e-03, -1.401e-06, -8.588e-07, -4.028e-07] + - [8.522e-04, 5.984e-08, 3.67e-08, 1.723e-08] + note: |- + Reaction index: Chemkin #449; RMG #4264 + PDep reaction: PDepNetwork #307 + Flux pairs: NO2(60), HONO(77); N2H3(15), H2NN(S)(18); +- equation: NO2(60) + N2H3(15) <=> NO(28) + N2H3O(81) # Reaction 450 + rate-constant: {A: 6.14, b: 2.8, Ea: -8.853} + note: |- + Reaction index: Chemkin #450; RMG #203 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), N2H3O(81); N2H3(15), NO(28); +- equation: N2H3O(81) <=> NO(28) + NH3(1) # Reaction 451 + rate-constant: {A: 2.86e+22, b: -2.8, Ea: 79.296} + note: |- + Reaction index: Chemkin #451; RMG #208 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H3O(81), NO(28); N2H3O(81), NH3(1); +- equation: HNO(63) + N2H3O(81) <=> NH2O(93) + NH2NO(73) # Reaction 452 + rate-constant: {A: 1.94018e-06, b: 5.144, Ea: 1.363} + note: |- + Reaction index: Chemkin #452; RMG #460 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H3O(81), NH2NO(73); HNO(63), NH2O(93); +- equation: HO2(10) + N2H3(15) <=> OH(7) + N2H3O(81) # Reaction 453 + rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #453; RMG #1646 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: HO2(10), N2H3O(81); N2H3(15), OH(7); +- equation: HNO(63) + NH2(16) <=> N2H3O(81) # Reaction 454 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.89, 0.774, -0.05043, -1.061e-03] + - [-1.279, -0.2119, 0.04898, 0.02704] + - [-0.2259, -0.0146, -0.01023, 6.771e-03] + - [-0.02951, -0.01023, -3.909e-03, -1.229e-03] + - [-7.959e-03, 4.684e-04, 2.903e-03, -2.317e-03] + - [-4.445e-03, 2.831e-03, 2.133e-03, -8.514e-04] + note: |- + Reaction index: Chemkin #454; RMG #2563 + PDep reaction: PDepNetwork #79 + Flux pairs: HNO(63), N2H3O(81); NH2(16), N2H3O(81); +- equation: H(5) + NH2NO(73) <=> N2H3O(81) # Reaction 455 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.687, 1.178, -0.08144, -2.414e-04] + - [0.7632, -0.3595, -0.07288, 5.596e-03] + - [-0.0943, -0.07296, -2.297e-05, 7.985e-04] + - [0.02737, 0.01964, 0.01362, -2.379e-03] + - [9.635e-03, 0.01934, 8.338e-03, -5.164e-04] + - [-5.223e-03, 6.616e-03, 3.128e-03, 7.547e-04] + note: |- + Reaction index: Chemkin #455; RMG #4282 + PDep reaction: PDepNetwork #362 + Flux pairs: H(5), N2H3O(81); NH2NO(73), N2H3O(81); +- equation: NH2(16) + NH2O(93) <=> H(5) + N2H3O(81) # Reaction 456 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [4.446, -1.611e-03, -9.86e-04, -4.614e-04] + - [4.41, 1.252e-03, 7.658e-04, 3.578e-04] + - [0.07259, -1.009e-04, -6.142e-05, -2.847e-05] + - [0.01779, -6.78e-05, -4.152e-05, -1.945e-05] + - [2.622e-03, -1.514e-05, -9.289e-06, -4.366e-06] + - [-4.366e-05, 9.042e-07, 5.486e-07, 2.526e-07] + note: |- + Reaction index: Chemkin #456; RMG #2576 + PDep reaction: PDepNetwork #65 + Flux pairs: NH2O(93), N2H3O(81); NH2(16), H(5); +- equation: O(8) + N2H3O(81) <=> O2(3) + N2H3(15) # Reaction 457 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [13.23, -1.028e-03, -6.289e-04, -2.94e-04] + - [0.3265, -1.58e-03, -9.662e-04, -4.515e-04] + - [0.03322, -9.244e-04, -5.649e-04, -2.636e-04] + - [-1.991e-03, -4.513e-04, -2.755e-04, -1.283e-04] + - [-5.176e-03, -1.882e-04, -1.147e-04, -5.323e-05] + - [-3.606e-03, -6.558e-05, -3.985e-05, -1.84e-05] + note: |- + Reaction index: Chemkin #457; RMG #4565 + PDep reaction: PDepNetwork #442 + Flux pairs: N2H3O(81), O2(3); O(8), N2H3(15); +- equation: O(8) + N2H3O(81) <=> HO2(10) + N2H2(17) # Reaction 458 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.179, -1.163e-03, -7.117e-04, -3.327e-04] + - [2.524, -1.736e-03, -1.061e-03, -4.959e-04] + - [0.333, -9.19e-04, -5.615e-04, -2.619e-04] + - [0.03174, -3.624e-04, -2.21e-04, -1.028e-04] + - [-7.492e-03, -9.352e-05, -5.678e-05, -2.618e-05] + - [-7.533e-03, -2.162e-07, 8.458e-08, 2.22e-07] + note: |- + Reaction index: Chemkin #458; RMG #4564 + PDep reaction: PDepNetwork #442 + Flux pairs: N2H3O(81), HO2(10); O(8), N2H2(17); +- equation: NH2(16) + N2H3O(81) <=> NH2NO(73) + NH3(1) # Reaction 459 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.0} + note: |- + Reaction index: Chemkin #459; RMG #3397 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); NH2(16), NH3(1); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_N-2R!H->N +- equation: H(5) + N2H3O(81) <=> H2(4) + NH2NO(73) # Reaction 460 + rate-constant: {A: 4.8e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #460; RMG #3402 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); H(5), H2(4); + Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_N-2NO->N +- equation: NH(37) + N2H3O(81) <=> NH2(16) + NH2NO(73) # Reaction 461 + rate-constant: {A: 1.59386e+10, b: 0.994, Ea: 0.0} + note: |- + Reaction index: Chemkin #461; RMG #3405 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); NH(37), NH2(16); + Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS +- equation: O2(3) + N2H3O(81) <=> HO2(10) + NH2NO(73) # Reaction 462 + rate-constant: {A: 1.446e+13, b: 0.0, Ea: 15.556} + note: |- + Reaction index: Chemkin #462; RMG #3411 + Template reaction: Disproportionation + Flux pairs: O2(3), HO2(10); N2H3O(81), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS + Multiplied by reaction path degeneracy 2.0 +- equation: HO2(10) + N2H3O(81) <=> H2O2(11) + NH2NO(73) # Reaction 463 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #463; RMG #3418 + Template reaction: Disproportionation + Flux pairs: HO2(10), H2O2(11); N2H3O(81), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N +- equation: N2H3(15) + N2H3O(81) <=> NH2NO(73) + N2H4(22) # Reaction 464 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.0} + note: |- + Reaction index: Chemkin #464; RMG #3421 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); N2H3(15), N2H4(22); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: O(8) + N2H3O(81) <=> OH(7) + NH2NO(73) # Reaction 465 + rate-constant: {A: 3.3e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #465; RMG #3434 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); O(8), OH(7); + Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N +- equation: OH(7) + N2H3O(81) <=> H2O(9) + NH2NO(73) # Reaction 466 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #466; RMG #3439 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); OH(7), H2O(9); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C +- equation: NO[O](227) + N2H3O(81) <=> NH2NO(73) + NH2OOH(133) # Reaction 467 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #467; RMG #3442 + Template reaction: Disproportionation + Flux pairs: NO[O](227), NH2OOH(133); N2H3O(81), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N +- equation: NO(28) + N2H3O(81) <=> HNO(63) + NH2NO(73) # Reaction 468 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 5.53} + note: |- + Reaction index: Chemkin #468; RMG #3452 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); NO(28), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: NH2O(93) + N2H3O(81) <=> NH2NO(73) + NH2OH(94) # Reaction 469 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 0.78} + note: |- + Reaction index: Chemkin #469; RMG #3470 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); NH2O(93), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C +- equation: HNOH(76) + N2H3O(81) <=> NH2NO(73) + NH2OH(94) # Reaction 470 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.0} + note: |- + Reaction index: Chemkin #470; RMG #3472 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); HNOH(76), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: NNH(71) + N2H3O(81) <=> N2H2(17) + NH2NO(73) # Reaction 471 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 1.598} + note: |- + Reaction index: Chemkin #471; RMG #3496 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); NNH(71), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: NNH(71) + N2H3O(81) <=> H2NN(S)(18) + NH2NO(73) # Reaction 472 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 8.819} + note: |- + Reaction index: Chemkin #472; RMG #3506 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); NNH(71), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: NO2(60) + N2H3O(81) <=> HONO(77) + NH2NO(73) # Reaction 473 + rate-constant: {A: 4.8e+06, b: 2.0, Ea: 0.646} + note: |- + Reaction index: Chemkin #473; RMG #3526 + Template reaction: Disproportionation + Flux pairs: NO2(60), HONO(77); N2H3O(81), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C + Multiplied by reaction path degeneracy 2.0 +- equation: NH2NO(73) + NH3(1) <=> NH2(16) + N2H3O(81) # Reaction 474 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-7.924, -0.06934, -0.03422, -0.01032] + - [10.92, 0.09199, 0.04403, 0.01219] + - [-5.68e-04, -0.02412, -0.01, -1.58e-03] + - [8.036e-03, -1.963e-03, -1.653e-03, -9.645e-04] + - [2.444e-03, 1.736e-03, 7.636e-04, 1.33e-04] + - [7.902e-05, 3.004e-04, 2.292e-04, 1.263e-04] + note: |- + Reaction index: Chemkin #474; RMG #3540 + PDep reaction: PDepNetwork #343 + Flux pairs: NH2NO(73), N2H3O(81); NH3(1), NH2(16); +- equation: O(8) + N2H3O(81) <=> NNO[O](309) # Reaction 475 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.093, 1.499, -6.496e-04, -3.037e-04] + - [1.261, -1.631e-03, -9.974e-04, -4.66e-04] + - [0.1813, -9.462e-04, -5.782e-04, -2.698e-04] + - [0.02906, -4.514e-04, -2.755e-04, -1.283e-04] + - [8.091e-04, -1.791e-04, -1.091e-04, -5.062e-05] + - [-3.002e-03, -5.596e-05, -3.396e-05, -1.565e-05] + note: |- + Reaction index: Chemkin #475; RMG #4563 + PDep reaction: PDepNetwork #442 + Flux pairs: O(8), NNO[O](309); N2H3O(81), NNO[O](309); +- equation: NO2(60) + N2H3O(81) <=> HNO2(74) + NH2NO(73) # Reaction 476 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.667} + note: |- + Reaction index: Chemkin #476; RMG #3747 + Template reaction: Disproportionation + Flux pairs: NO2(60), HNO2(74); N2H3O(81), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: O(8) + N2H3(15) <=> N2H3O(81) # Reaction 477 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.474, 1.499, -5.307e-04, -2.457e-04] + - [0.4312, -4.693e-04, -2.849e-04, -1.314e-04] + - [-0.1764, 2.874e-04, 1.747e-04, 8.074e-05] + - [-0.01325, 1.362e-04, 8.257e-05, 3.795e-05] + - [0.01904, -4.172e-05, -2.536e-05, -1.172e-05] + - [6.455e-03, -3.799e-05, -2.297e-05, -1.052e-05] + note: |- + Reaction index: Chemkin #477; RMG #4272 + PDep reaction: PDepNetwork #300 + Flux pairs: O(8), N2H3O(81); N2H3(15), N2H3O(81); +- equation: NO2(60) + NH3(1) <=> O(8) + N[N]O(355) # Reaction 478 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-20.42, -5.546e-04, -3.396e-04, -1.591e-04] + - [16.5, -7.335e-04, -4.491e-04, -2.103e-04] + - [-0.02471, -1.052e-04, -6.434e-05, -3.007e-05] + - [-0.0579, 2.008e-04, 1.229e-04, 5.759e-05] + - [0.02097, 1.673e-04, 1.024e-04, 4.789e-05] + - [0.02047, 5.35e-05, 3.269e-05, 1.525e-05] + note: |- + Reaction index: Chemkin #478; RMG #2430 + PDep reaction: PDepNetwork #109 + Flux pairs: NO2(60), N[N]O(355); NH3(1), O(8); +- equation: HNO(63) + NH2(16) <=> N[N]O(355) # Reaction 479 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.23, 0.2038, -0.2133, -4.811e-03] + - [-0.9975, 0.1137, 0.08733, -1.225e-03] + - [-0.2124, 0.02192, 7.899e-03, 7.01e-03] + - [-0.04615, -0.01787, 2.805e-04, 1.749e-03] + - [-0.01473, -5.879e-03, 2.307e-03, -1.076e-03] + - [-5.614e-03, 6.146e-04, 1.177e-03, -6.603e-04] + note: |- + Reaction index: Chemkin #479; RMG #2571 + PDep reaction: PDepNetwork #79 + Flux pairs: HNO(63), N[N]O(355); NH2(16), N[N]O(355); +- equation: NH2(16) + N[N]O(355) <=> NH2NO(73) + NH3(1) # Reaction 480 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.0} + note: |- + Reaction index: Chemkin #480; RMG #3396 + Template reaction: Disproportionation + Flux pairs: NH2(16), NH3(1); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: H(5) + N[N]O(355) <=> H2(4) + NH2NO(73) # Reaction 481 + rate-constant: {A: 4.8e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #481; RMG #3401 + Template reaction: Disproportionation + Flux pairs: H(5), H2(4); N[N]O(355), NH2NO(73); + Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_N-2R!H->C +- equation: NH(37) + N[N]O(355) <=> NH2(16) + NH2NO(73) # Reaction 482 + rate-constant: {A: 6.06985e+13, b: -0.073, Ea: 1.1} + note: |- + Reaction index: Chemkin #482; RMG #3404 + Template reaction: Disproportionation + Flux pairs: NH(37), NH2(16); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O +- equation: O2(3) + N[N]O(355) <=> HO2(10) + NH2NO(73) # Reaction 483 + rate-constant: {A: 2.54276e+08, b: 1.573, Ea: 0.0} + note: |- + Reaction index: Chemkin #483; RMG #3410 + Template reaction: Disproportionation + Flux pairs: O2(3), HO2(10); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O + Multiplied by reaction path degeneracy 2.0 +- equation: HO2(10) + N[N]O(355) <=> H2O2(11) + NH2NO(73) # Reaction 484 + rate-constant: {A: 2.94e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #484; RMG #3417 + Template reaction: Disproportionation + Flux pairs: HO2(10), H2O2(11); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N +- equation: N2H3(15) + N[N]O(355) <=> NH2NO(73) + N2H4(22) # Reaction 485 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.263} + note: |- + Reaction index: Chemkin #485; RMG #3420 + Template reaction: Disproportionation + Flux pairs: N2H3(15), N2H4(22); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: O(8) + N[N]O(355) <=> OH(7) + NH2NO(73) # Reaction 486 + rate-constant: {A: 3.3e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #486; RMG #3433 + Template reaction: Disproportionation + Flux pairs: O(8), OH(7); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_N-2R!H->C +- equation: OH(7) + N[N]O(355) <=> H2O(9) + NH2NO(73) # Reaction 487 + rate-constant: {A: 1.27138e+08, b: 1.573, Ea: 0.0} + note: |- + Reaction index: Chemkin #487; RMG #3438 + Template reaction: Disproportionation + Flux pairs: OH(7), H2O(9); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O +- equation: NO[O](227) + N[N]O(355) <=> NH2NO(73) + NH2OOH(133) # Reaction 488 + rate-constant: {A: 2.94e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #488; RMG #3441 + Template reaction: Disproportionation + Flux pairs: NO[O](227), NH2OOH(133); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N +- equation: NO(28) + N[N]O(355) <=> HNO(63) + NH2NO(73) # Reaction 489 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 7.468} + note: |- + Reaction index: Chemkin #489; RMG #3451 + Template reaction: Disproportionation + Flux pairs: NO(28), NH2NO(73); N[N]O(355), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NH2O(93) + N[N]O(355) <=> NH2NO(73) + NH2OH(94) # Reaction 490 + rate-constant: {A: 2.94e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #490; RMG #3469 + Template reaction: Disproportionation + Flux pairs: NH2O(93), NH2OH(94); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N +- equation: HNOH(76) + N[N]O(355) <=> NH2NO(73) + NH2OH(94) # Reaction 491 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.125} + note: |- + Reaction index: Chemkin #491; RMG #3471 + Template reaction: Disproportionation + Flux pairs: N[N]O(355), NH2NO(73); HNOH(76), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NNH(71) + N[N]O(355) <=> N2H2(17) + NH2NO(73) # Reaction 492 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 2.819} + note: |- + Reaction index: Chemkin #492; RMG #3495 + Template reaction: Disproportionation + Flux pairs: NNH(71), NH2NO(73); N[N]O(355), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NNH(71) + N[N]O(355) <=> H2NN(S)(18) + NH2NO(73) # Reaction 493 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 11.06} + note: |- + Reaction index: Chemkin #493; RMG #3505 + Template reaction: Disproportionation + Flux pairs: NNH(71), NH2NO(73); N[N]O(355), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NO2(60) + N[N]O(355) <=> HONO(77) + NH2NO(73) # Reaction 494 + rate-constant: {A: 5.88e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #494; RMG #3525 + Template reaction: Disproportionation + Flux pairs: NO2(60), NH2NO(73); N[N]O(355), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: NO2(60) + N[N]O(355) <=> HNO2(74) + NH2NO(73) # Reaction 495 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 1.537} + note: |- + Reaction index: Chemkin #495; RMG #3746 + Template reaction: Disproportionation + Flux pairs: NO2(60), HNO2(74); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: O(8) + N2H3(15) <=> N[N]O(355) # Reaction 496 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.507, 1.483, -0.01034, -4.717e-03] + - [0.4687, 5.635e-03, 3.376e-03, 1.518e-03] + - [-0.2109, 1.636e-03, 9.847e-04, 4.467e-04] + - [-0.02663, -1.428e-04, -8.12e-05, -3.283e-05] + - [0.01538, -2.747e-04, -1.643e-04, -7.373e-05] + - [6.408e-03, -1.321e-04, -7.948e-05, -3.607e-05] + note: |- + Reaction index: Chemkin #496; RMG #4280 + PDep reaction: PDepNetwork #300 + Flux pairs: O(8), N[N]O(355); N2H3(15), N[N]O(355); +- equation: H(5) + NH2NO(73) <=> N[N]O(355) # Reaction 497 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.35, 0.9315, -0.1888, -0.02183] + - [0.9345, -0.07555, 0.04018, 0.0223] + - [-0.07658, -0.02509, 0.0264, 0.0111] + - [0.01135, 9.273e-03, 0.01081, -7.416e-04] + - [1.713e-03, 7.3e-03, 2.355e-03, -2.002e-03] + - [-5.827e-03, 3.121e-03, 4.252e-04, -7.16e-04] + note: |- + Reaction index: Chemkin #497; RMG #4290 + PDep reaction: PDepNetwork #362 + Flux pairs: H(5), N[N]O(355); NH2NO(73), N[N]O(355); +- equation: N2H3O(81) <=> N[N]O(355) # Reaction 498 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [5.036, 0.6892, -0.1266, 6.292e-03] + - [3.436, 0.4149, 0.01185, -0.01639] + - [-0.1854, 0.07344, 0.01671, -7.291e-06] + - [-0.0379, 1.01e-03, 3.476e-03, 1.41e-03] + - [-3.046e-03, -4.189e-03, -3.205e-04, 2.795e-04] + - [1.597e-03, -1.437e-03, -4.036e-04, -6.082e-05] + note: |- + Reaction index: Chemkin #498; RMG #4514 + PDep reaction: PDepNetwork #7 + Flux pairs: N2H3O(81), N[N]O(355); +- equation: OH(7) + H2NN(S)(18) <=> N2H3O(81) # Reaction 499 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.826, 0.7993, -0.2162, -0.02178] + - [0.6386, -0.2119, 0.02212, 0.02305] + - [-0.08057, -0.06918, 0.02797, 0.01194] + - [-0.03455, -7.227e-04, 0.01282, -1.376e-03] + - [-0.01119, 5.068e-03, 2.198e-03, -2.69e-03] + - [-4.758e-03, 2.473e-03, 5.487e-07, -8.697e-04] + note: |- + Reaction index: Chemkin #499; RMG #4536 + PDep reaction: PDepNetwork #222 + Flux pairs: OH(7), N2H3O(81); H2NN(S)(18), N2H3O(81); +- equation: OH(7) + H2NN(S)(18) <=> HNO(63) + NH2(16) # Reaction 500 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.27, -0.5793, -0.1982, -0.02589] + - [-0.3437, -0.09947, 0.02616, 0.01846] + - [-0.2128, -0.04466, 0.01953, 0.01095] + - [-0.09286, 1.585e-04, 9.73e-03, 2.527e-04] + - [-0.03715, 5.672e-03, 3.164e-03, -1.505e-03] + - [-0.01222, 3.707e-03, 8.753e-04, -7.785e-04] + note: |- + Reaction index: Chemkin #500; RMG #4539 + PDep reaction: PDepNetwork #222 + Flux pairs: OH(7), HNO(63); H2NN(S)(18), NH2(16); +- equation: OH(7) + H2NN(S)(18) <=> N[N]O(355) # Reaction 501 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.07, 0.8602, -0.1867, -0.01158] + - [0.08774, -0.2004, 0.02727, 0.02511] + - [0.0321, -0.088, 0.01796, 8.372e-03] + - [-0.02181, -1.024e-03, 0.01253, -1.673e-03] + - [-0.01885, 0.01055, 4.631e-03, -2.119e-03] + - [-6.234e-03, 4.043e-03, 5.684e-04, -7.551e-04] + note: |- + Reaction index: Chemkin #501; RMG #4535 + PDep reaction: PDepNetwork #222 + Flux pairs: OH(7), N[N]O(355); H2NN(S)(18), N[N]O(355); +- equation: O(8) + N2H3(15) <=> OH(7) + H2NN(S)(18) # Reaction 502 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.085, -0.01584, -9.567e-03, -4.369e-03] + - [0.9638, 6.003e-03, 3.6e-03, 1.623e-03] + - [-0.1496, 1.596e-03, 9.618e-04, 4.375e-04] + - [-0.02714, -1.462e-04, -8.356e-05, -3.419e-05] + - [7.359e-03, -2.565e-04, -1.538e-04, -6.927e-05] + - [2.022e-03, -1.169e-04, -7.054e-05, -3.215e-05] + note: |- + Reaction index: Chemkin #502; RMG #4551 + PDep reaction: PDepNetwork #300 + Flux pairs: O(8), OH(7); N2H3(15), H2NN(S)(18); +- equation: O2(3) + NH2O(93) <=> HO2(10) + HNO(T)(117) # Reaction 503 + duplicate: true + rate-constant: {A: 4429.0, b: 2.578, Ea: 29.877} + note: |- + Reaction index: Chemkin #503; RMG #340 + Library reaction: primaryNitrogenLibrary + Flux pairs: O2(3), HO2(10); NH2O(93), HNO(T)(117); +- equation: HNO(T)(117) + NNH(71) <=> N2(2) + NH2O(93) # Reaction 504 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #504; RMG #1830 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), NH2O(93); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: HNO(T)(117) + NH3(1) <=> NH2(16) + NH2O(93) # Reaction 505 + rate-constant: {A: 7.14, b: 3.59, Ea: 25.812} + note: |- + Reaction index: Chemkin #505; RMG #1836 + Template reaction: H_Abstraction + Flux pairs: NH3(1), NH2(16); HNO(T)(117), NH2O(93); + From training reaction 3079 used for NH3;Y_1centerbirad + Exact match found for rate rule [NH3;Y_1centerbirad] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 3.0 + family: H_Abstraction +- equation: HO2(10) + NH2O(93) <=> HNO(T)(117) + H2O2(11) # Reaction 506 + rate-constant: {A: 1.032286e+04, b: 2.522, Ea: 7.859} + note: |- + Reaction index: Chemkin #506; RMG #1838 + Template reaction: H_Abstraction + Flux pairs: HO2(10), H2O2(11); NH2O(93), HNO(T)(117); + Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;O_rad/NonDeO] for rate rule [N5sc_radH;O_rad/NonDeO] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: NH2O(93) + NO[O](227) <=> HNO(T)(117) + NH2OOH(133) # Reaction 507 + rate-constant: {A: 1.032286e+04, b: 2.522, Ea: 7.859} + note: |- + Reaction index: Chemkin #507; RMG #1842 + Template reaction: H_Abstraction + Flux pairs: NO[O](227), NH2OOH(133); NH2O(93), HNO(T)(117); + Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;O_rad/NonDeO] for rate rule [N5sc_radH;O_rad/NonDeO] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNO(T)(117) + NH2OH(94) <=> NH2O(93) + NH2O(93) # Reaction 508 + rate-constant: {A: 1.7e+08, b: 1.5, Ea: 24.76} + note: |- + Reaction index: Chemkin #508; RMG #1848 + Template reaction: H_Abstraction + Flux pairs: NH2OH(94), NH2O(93); HNO(T)(117), NH2O(93); + Estimated using an average for rate rule [O/H/NonDeN;Y_1centerbirad] + Euclidian distance = 0 + family: H_Abstraction +- equation: H(5) + HNO(T)(117) <=> NH2O(93) # Reaction 509 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.58, 0.7327, -0.111, -3.543e-03] + - [-0.3732, 0.2536, 0.01521, -4.609e-03] + - [-0.111, 0.0374, 8.196e-03, 4.299e-04] + - [-0.02968, 4.316e-03, 1.418e-03, 3.538e-04] + - [-0.01184, 2.039e-03, 4.684e-04, 2.662e-05] + - [-8.129e-03, 2.588e-03, 4.623e-04, -6.32e-05] + note: |- + Reaction index: Chemkin #509; RMG #4897 + PDep reaction: PDepNetwork #482 + Flux pairs: H(5), NH2O(93); HNO(T)(117), NH2O(93); +- equation: OH(7) + NH2O(93) <=> HNO(T)(117) + H2O(9) # Reaction 510 + rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #510; RMG #1857 + Template reaction: H_Abstraction + Flux pairs: OH(7), H2O(9); NH2O(93), HNO(T)(117); + Estimated using template [Xrad_H;O_pri_rad] for rate rule [N5sc_radH;O_pri_rad] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNO(T)(117) + HNOH(76) <=> HNO(63) + NH2O(93) # Reaction 511 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 2.87} + note: |- + Reaction index: Chemkin #511; RMG #1886 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), NH2O(93); HNOH(76), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: HNO(T)(117) + NH2O(93) <=> HNO(63) + NH2O(93) # Reaction 512 + rate-constant: {A: 7.383e+08, b: 1.263, Ea: 3.776} + note: |- + Reaction index: Chemkin #512; RMG #1887 + Template reaction: Disproportionation + Flux pairs: NH2O(93), NH2O(93); HNO(T)(117), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS + Multiplied by reaction path degeneracy 2.0 +- equation: N2(2) + HNO(63) <=> N2(2) + HNO(T)(117) # Reaction 513 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-14.28, -5.504e-06, -3.373e-06, -1.582e-06] + - [11.75, 2.872e-06, 1.761e-06, 8.259e-07] + - [-0.03673, 4.038e-08, 2.475e-08, 1.161e-08] + - [-6.235e-03, -2.183e-09, -1.338e-09, -6.277e-10] + - [-1.184e-03, -2.349e-10, -1.439e-10, -6.754e-11] + - [-2.408e-04, -3.513e-10, -2.154e-10, -1.01e-10] + note: |- + Reaction index: Chemkin #513; RMG #1936 + PDep reaction: PDepNetwork #76 + Flux pairs: HNO(63), HNO(T)(117); N2(2), N2(2); +- equation: H(5) + NH2O(93) <=> HNO(T)(117) + H2(4) # Reaction 514 + rate-constant: {A: 9.6e+08, b: 1.5, Ea: 7.94} + note: |- + Reaction index: Chemkin #514; RMG #1948 + Template reaction: H_Abstraction + Flux pairs: H(5), H2(4); NH2O(93), HNO(T)(117); + Estimated using template [Xrad_H;H_rad] for rate rule [N5sc_radH;H_rad] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNO(63) + HNO(63) <=> HNO(T)(117) + HNO(T)(117) # Reaction 515 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-9.899, -2.244e-07, -1.375e-07, -6.452e-08] + - [10.61, -1.791e-08, -1.098e-08, -5.15e-09] + - [0.1084, 5.789e-10, 3.548e-10, 1.665e-10] + - [0.02232, -9.015e-10, -5.526e-10, -2.592e-10] + - [4.458e-03, -6.43e-10, -3.941e-10, -1.849e-10] + - [8.737e-04, -2.09e-10, -1.281e-10, -6.01e-11] + note: |- + Reaction index: Chemkin #515; RMG #1957 + PDep reaction: PDepNetwork #87 + Flux pairs: HNO(63), HNO(T)(117); HNO(63), HNO(T)(117); +- equation: HNO(63) + HNO(T)(117) <=> NO(28) + NH2O(93) # Reaction 516 + rate-constant: {A: 4.5e+11, b: 0.72, Ea: 0.66} + note: |- + Reaction index: Chemkin #516; RMG #1973 + Template reaction: H_Abstraction + Flux pairs: HNO(63), NO(28); HNO(T)(117), NH2O(93); + Estimated using an average for rate rule [N3d/H/NonDeO;Y_1centerbirad] + Euclidian distance = 0 + family: H_Abstraction +- equation: O(8) + NH2O(93) <=> OH(7) + HNO(T)(117) # Reaction 517 + rate-constant: {A: 1.302538e+05, b: 2.28, Ea: 4.558} + note: |- + Reaction index: Chemkin #517; RMG #1992 + Template reaction: H_Abstraction + Flux pairs: O(8), OH(7); NH2O(93), HNO(T)(117); + Estimated using average of templates [Xrad_H;O_atom_triplet] + [N5sc_radH;Y_1centerbirad] for rate rule [N5sc_radH;O_atom_triplet] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: O(8) + NH2(16) <=> H(5) + HNO(T)(117) # Reaction 518 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.33, -0.1774, -0.08621, -0.02485] + - [0.3303, 0.1381, 0.06106, 0.01291] + - [0.03312, 3.163e-03, 4.335e-03, 3.199e-03] + - [4.606e-03, -2.198e-03, -8.082e-04, 3.886e-05] + - [9.326e-04, -6.66e-04, -3.622e-04, -1.208e-04] + - [2.5e-04, -1.301e-04, -8.354e-05, -3.949e-05] + note: |- + Reaction index: Chemkin #518; RMG #1999 + PDep reaction: PDepNetwork #101 + Flux pairs: O(8), HNO(T)(117); NH2(16), H(5); +- equation: HNO(T)(117) + HONO(77) <=> NO2(60) + NH2O(93) # Reaction 519 + rate-constant: {A: 1.7e+08, b: 1.5, Ea: 24.76} + note: |- + Reaction index: Chemkin #519; RMG #2032 + Template reaction: H_Abstraction + Flux pairs: HONO(77), NO2(60); HNO(T)(117), NH2O(93); + Estimated using an average for rate rule [O/H/OneDeN;Y_1centerbirad] + Euclidian distance = 0 + family: H_Abstraction +- equation: HNO(T)(117) + HNO2(74) <=> NO2(60) + NH2O(93) # Reaction 520 + rate-constant: {A: 1.7e+08, b: 1.5, Ea: 2.36} + note: |- + Reaction index: Chemkin #520; RMG #2033 + Template reaction: H_Abstraction + Flux pairs: HNO2(74), NO2(60); HNO(T)(117), NH2O(93); + Estimated using an average for rate rule [N5dc_H;Y_1centerbirad] + Euclidian distance = 0 + family: H_Abstraction +- equation: HNO(63) + HNO(63) <=> HNO(63) + HNO(T)(117) # Reaction 521 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-3.132, -3.335e-06, -2.044e-06, -9.59e-07] + - [7.241, 1.698e-06, 1.041e-06, 4.883e-07] + - [0.1027, 2.337e-08, 1.433e-08, 6.721e-09] + - [0.01392, 6.127e-09, 3.755e-09, 1.762e-09] + - [1.479e-03, 2.902e-10, 1.779e-10, 8.345e-11] + - [1.184e-04, -3.872e-11, -2.374e-11, -1.113e-11] + note: |- + Reaction index: Chemkin #521; RMG #2077 + PDep reaction: PDepNetwork #86 + Flux pairs: HNO(63), HNO(T)(117); HNO(63), HNO(63); +- equation: HNO(63) + HNO(63) <=> HNO(63) + HNO(T)(117) # Reaction 522 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [0.6327, -1.027e-04, -6.292e-05, -2.951e-05] + - [5.926, 4.322e-06, 2.647e-06, 1.24e-06] + - [-2.445e-03, 1.058e-05, 6.483e-06, 3.041e-06] + - [-1.956e-03, 1.346e-05, 8.246e-06, 3.867e-06] + - [-1.795e-03, 6.672e-06, 4.088e-06, 1.917e-06] + - [-2.704e-04, 5.517e-07, 3.381e-07, 1.585e-07] + note: |- + Reaction index: Chemkin #522; RMG #2100 + PDep reaction: PDepNetwork #85 + Flux pairs: HNO(63), HNO(T)(117); HNO(63), HNO(63); +- equation: NO2(60) + NH3(1) <=> HNO(T)(117) + NH2O(93) # Reaction 523 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-14.35, -8.302e-05, -5.088e-05, -2.387e-05] + - [13.95, -7.959e-06, -4.877e-06, -2.287e-06] + - [0.1631, 2.349e-05, 1.44e-05, 6.753e-06] + - [0.02947, 1.632e-07, 9.984e-08, 4.665e-08] + - [5.26e-03, -4.785e-06, -2.932e-06, -1.375e-06] + - [9.367e-04, 2.643e-06, 1.62e-06, 7.597e-07] + note: |- + Reaction index: Chemkin #523; RMG #2152 + PDep reaction: PDepNetwork #108 + Flux pairs: NO2(60), NH2O(93); NH3(1), HNO(T)(117); +- equation: HNO(T)(117) + NNH(71) <=> N2(2) + HNOH(76) # Reaction 524 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #524; RMG #2188 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), HNOH(76); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C +- equation: HNOH(76) + NH2O(93) <=> HNO(T)(117) + NH2OH(94) # Reaction 525 + rate-constant: {A: 0.231, b: 3.93, Ea: 16.754} + note: |- + Reaction index: Chemkin #525; RMG #2203 + Template reaction: H_Abstraction + Flux pairs: HNOH(76), NH2OH(94); NH2O(93), HNO(T)(117); + Estimated using template [Xrad_H;N3s_rad_pri] for rate rule [N5sc_radH;N3s_rad_pri] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNO(T)(117) + HNOH(76) <=> HNO(63) + HNOH(76) # Reaction 526 + rate-constant: {A: 1.27138e+08, b: 1.573, Ea: 0.0} + note: |- + Reaction index: Chemkin #526; RMG #2209 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), HNOH(76); HNOH(76), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O +- equation: HNO(T)(117) + NH2O(93) <=> HNO(63) + HNOH(76) # Reaction 527 + rate-constant: {A: 4.8e+06, b: 2.0, Ea: 8.083} + note: |- + Reaction index: Chemkin #527; RMG #2211 + Template reaction: Disproportionation + Flux pairs: NH2O(93), HNOH(76); HNO(T)(117), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C + Multiplied by reaction path degeneracy 2.0 +- equation: H(5) + HNO(T)(117) <=> HNOH(76) # Reaction 528 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.19, 1.426, -0.0399, -0.01458] + - [-0.5629, 0.06672, 0.03402, 0.01101] + - [-0.1025, -5.674e-03, -1.862e-03, 1.893e-04] + - [-0.02209, -9.112e-04, -6.314e-04, -2.976e-04] + - [-0.0112, 1.096e-04, 1.353e-04, 8.456e-05] + - [-0.01164, 1.357e-03, 6.028e-04, 1.436e-04] + note: |- + Reaction index: Chemkin #528; RMG #4894 + PDep reaction: PDepNetwork #481 + Flux pairs: H(5), HNOH(76); HNO(T)(117), HNOH(76); +- equation: NH(37) + NH2O(93) <=> HNO(T)(117) + NH2(16) # Reaction 529 + rate-constant: {A: 0.1765, b: 3.81, Ea: 9.56} + note: |- + Reaction index: Chemkin #529; RMG #2252 + Template reaction: H_Abstraction + Flux pairs: NH(37), NH2(16); NH2O(93), HNO(T)(117); + From training reaction 3083 used for N5sc_radH;NH_triplet + Exact match found for rate rule [N5sc_radH;NH_triplet] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: H(5) + HNO(T)(117) <=> OH(7) + NH(37) # Reaction 530 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [13.32, -0.04631, -0.02595, -0.01029] + - [0.09566, 0.0473, 0.02571, 9.563e-03] + - [2.013e-03, -6.25e-03, -2.842e-03, -6.099e-04] + - [-1.169e-04, -7.046e-04, -5.115e-04, -2.825e-04] + - [-2.804e-04, 1.468e-04, 8.61e-05, 3.186e-05] + - [-9.089e-05, 4.826e-04, 2.539e-04, 9.007e-05] + note: |- + Reaction index: Chemkin #530; RMG #4895 + PDep reaction: PDepNetwork #481 + Flux pairs: HNO(T)(117), OH(7); H(5), NH(37); +- equation: HNO(T)(117) + N2H3(15) <=> NH2O(93) + N2H2(17) # Reaction 531 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 1.559} + note: |- + Reaction index: Chemkin #531; RMG #2279 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), NH2O(93); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C + Multiplied by reaction path degeneracy 2.0 +- equation: HNO(T)(117) + N2H3(15) <=> HNOH(76) + N2H2(17) # Reaction 532 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 3.06} + note: |- + Reaction index: Chemkin #532; RMG #2301 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), HNOH(76); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 + Multiplied by reaction path degeneracy 2.0 +- equation: HNO(63) + N2H2(17) <=> HNO(T)(117) + N2H2(17) # Reaction 533 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-0.7498, -6.36e-06, -3.898e-06, -1.829e-06] + - [3.216, 7.305e-07, 4.478e-07, 2.1e-07] + - [-0.2308, 4.22e-07, 2.587e-07, 1.213e-07] + - [-0.0431, 5.915e-07, 3.625e-07, 1.701e-07] + - [-0.01125, 3.658e-07, 2.242e-07, 1.052e-07] + - [-2.577e-03, 1.047e-07, 6.415e-08, 3.009e-08] + note: |- + Reaction index: Chemkin #533; RMG #2378 + PDep reaction: PDepNetwork #165 + Flux pairs: HNO(63), HNO(T)(117); N2H2(17), N2H2(17); +- equation: HNO(T)(117) + N2H2(17) <=> NNH(71) + NH2O(93) # Reaction 534 + rate-constant: {A: 5.628499e+07, b: 1.75, Ea: 1.947} + note: |- + Reaction index: Chemkin #534; RMG #2471 + Template reaction: H_Abstraction + Flux pairs: N2H2(17), NNH(71); HNO(T)(117), NH2O(93); + Estimated using an average for rate rule [N3d/H/NonDeN;Y_1centerbirad] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNO(T)(117) + H2NN(S)(18) <=> NNH(71) + NH2O(93) # Reaction 535 + rate-constant: {A: 3.4e+08, b: 1.5, Ea: 2.36} + note: |- + Reaction index: Chemkin #535; RMG #2473 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); HNO(T)(117), NH2O(93); + Estimated using an average for rate rule [N5dc_H;Y_1centerbirad] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNO(T)(117) + NH2(16) <=> HNO(63) + NH2(16) # Reaction 536 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [13.6, -0.06396, -0.02452, -3.377e-03] + - [-0.7414, -0.05943, -0.01958, -9.593e-04] + - [-0.4517, 8.084e-03, 7.072e-03, 2.733e-03] + - [-0.1435, 0.01951, 8.78e-03, 1.303e-03] + - [-0.01623, 7.539e-03, 2.201e-03, -4.366e-04] + - [6.002e-03, -3.925e-04, -9.54e-04, -5.811e-04] + note: |- + Reaction index: Chemkin #536; RMG #4873 + PDep reaction: PDepNetwork #473 + Flux pairs: HNO(T)(117), HNO(63); NH2(16), NH2(16); +- equation: HNO(T)(117) + N2H3(15) <=> NH2O(93) + H2NN(S)(18) # Reaction 537 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 7.949} + note: |- + Reaction index: Chemkin #537; RMG #2602 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), NH2O(93); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: HNO(T)(117) + N2H3(15) <=> HNOH(76) + H2NN(S)(18) # Reaction 538 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 11.148} + note: |- + Reaction index: Chemkin #538; RMG #2642 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), HNOH(76); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 +- equation: NH2O(93) + N2H3(15) <=> HNO(T)(117) + N2H4(22) # Reaction 539 + rate-constant: {A: 0.231, b: 3.93, Ea: 16.754} + note: |- + Reaction index: Chemkin #539; RMG #2911 + Template reaction: H_Abstraction + Flux pairs: N2H3(15), N2H4(22); NH2O(93), HNO(T)(117); + Estimated using template [Xrad_H;N3s_rad_pri] for rate rule [N5sc_radH;N3s_rad_pri] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNO(T)(117) + HONHO(221) <=> HONO(77) + NH2O(93) # Reaction 540 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.0} + note: |- + Reaction index: Chemkin #540; RMG #3066 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); HNO(T)(117), NH2O(93); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: HNO(T)(117) + HONHO(221) <=> HONO(77) + HNOH(76) # Reaction 541 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 0.763} + note: |- + Reaction index: Chemkin #541; RMG #3091 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); HNO(T)(117), HNOH(76); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C +- equation: NO2(60) + NH(37) <=> NO(28) + HNO(T)(117) # Reaction 542 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [13.9, -1.213e-05, -7.437e-06, -3.488e-06] + - [0.07327, -2.262e-05, -1.386e-05, -6.502e-06] + - [5.049e-03, -1.845e-05, -1.131e-05, -5.303e-06] + - [-2.682e-03, -1.336e-05, -8.189e-06, -3.841e-06] + - [-2.875e-03, -8.718e-06, -5.343e-06, -2.506e-06] + - [-1.991e-03, -5.164e-06, -3.165e-06, -1.484e-06] + note: |- + Reaction index: Chemkin #542; RMG #3346 + PDep reaction: PDepNetwork #154 + Flux pairs: NO2(60), HNO(T)(117); NH(37), NO(28); +- equation: HNO(T)(117) + N[N]O(355) <=> NH2O(93) + NH2NO(73) # Reaction 543 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.31} + note: |- + Reaction index: Chemkin #543; RMG #3423 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), NH2O(93); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: HNO(T)(117) + N2H3O(81) <=> NH2O(93) + NH2NO(73) # Reaction 544 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.0} + note: |- + Reaction index: Chemkin #544; RMG #3424 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); HNO(T)(117), NH2O(93); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: HNO(T)(117) + N[N]O(355) <=> HNOH(76) + NH2NO(73) # Reaction 545 + rate-constant: {A: 1.27138e+08, b: 1.573, Ea: 0.0} + note: |- + Reaction index: Chemkin #545; RMG #3480 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), HNOH(76); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O +- equation: HNO(T)(117) + N2H3O(81) <=> HNOH(76) + NH2NO(73) # Reaction 546 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 1.179} + note: |- + Reaction index: Chemkin #546; RMG #3481 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); HNO(T)(117), HNOH(76); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C +- equation: HNO(T)(117) + HONHO(221) <=> HNO2(74) + NH2O(93) # Reaction 547 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.509} + note: |- + Reaction index: Chemkin #547; RMG #3680 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), NH2O(93); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: HNO(T)(117) + HONHO(221) <=> HNO2(74) + HNOH(76) # Reaction 548 + rate-constant: {A: 1.27138e+08, b: 1.573, Ea: 0.0} + note: |- + Reaction index: Chemkin #548; RMG #3704 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), HNOH(76); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O +- equation: OH(7) + HNO(T)(117) <=> OH(7) + HNO(63) # Reaction 549 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.14, -0.2512, -0.09723, -0.01374] + - [-1.29, -0.0133, 1.323e-03, 1.951e-03] + - [-0.455, 0.1113, 0.03521, -5.591e-04] + - [-0.08575, 0.01729, 2.617e-03, -8.116e-04] + - [-5.133e-03, -0.01402, -3.102e-03, 1.271e-03] + - [-1.54e-03, -4.072e-03, -1.074e-04, 4.382e-04] + note: |- + Reaction index: Chemkin #549; RMG #4889 + PDep reaction: PDepNetwork #478 + Flux pairs: HNO(T)(117), HNO(63); OH(7), OH(7); +- equation: O(8) + HNOH(76) <=> OH(7) + HNO(T)(117) # Reaction 550 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.28, -1.502e-03, -9.188e-04, -4.296e-04] + - [0.5166, 1.091e-03, 6.67e-04, 3.115e-04] + - [-0.04985, 3.63e-04, 2.22e-04, 1.038e-04] + - [0.03326, -2.688e-04, -1.642e-04, -7.65e-05] + - [-1.168e-03, 9.084e-06, 5.473e-06, 2.488e-06] + - [-1.281e-03, 2.602e-05, 1.586e-05, 7.366e-06] + note: |- + Reaction index: Chemkin #550; RMG #3881 + PDep reaction: PDepNetwork #143 + Flux pairs: HNOH(76), HNO(T)(117); O(8), OH(7); +- equation: OH(7) + HNO(T)(117) <=> H(5) + HONO(77) # Reaction 551 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.42, -0.2675, -0.1148, -0.02465] + - [0.2235, 0.0229, 0.01336, 2.521e-03] + - [-0.07143, 0.128, 0.04794, 6.259e-03] + - [-0.06133, 5.578e-03, -1.329e-03, -1.321e-03] + - [5.405e-03, -0.01781, -5.351e-03, 1.721e-04] + - [4.639e-03, -2.224e-03, 5.753e-04, 6.466e-04] + note: |- + Reaction index: Chemkin #551; RMG #4888 + PDep reaction: PDepNetwork #478 + Flux pairs: HNO(T)(117), HONO(77); OH(7), H(5); +- equation: OH(7) + HNO(T)(117) <=> H(5) + HNO2(74) # Reaction 552 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.32, -0.1504, -0.06619, -0.01447] + - [0.8044, 0.04247, 0.01907, 3.517e-03] + - [-0.1273, 0.08382, 0.0321, 3.938e-03] + - [-4.215e-03, -9.799e-04, -7.755e-04, 1.693e-04] + - [0.01768, -0.01504, -4.458e-03, 3.631e-04] + - [2.247e-03, -1.655e-03, -2.497e-04, 4.043e-05] + note: |- + Reaction index: Chemkin #552; RMG #4886 + PDep reaction: PDepNetwork #478 + Flux pairs: HNO(T)(117), HNO2(74); OH(7), H(5); +- equation: OH(7) + HNO(T)(117) <=> HONHO(221) # Reaction 553 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.52, 1.188, -0.113, -0.01147] + - [0.01284, -0.06439, -0.0116, 3.075e-03] + - [-0.259, 0.1128, 0.03295, -2.854e-03] + - [-0.04151, 0.02457, 2.913e-03, -1.8e-03] + - [7.41e-03, -0.01237, -2.417e-03, 1.532e-03] + - [3.29e-03, -4.734e-03, 1.642e-04, 6.532e-04] + note: |- + Reaction index: Chemkin #553; RMG #4885 + PDep reaction: PDepNetwork #478 + Flux pairs: OH(7), HONHO(221); HNO(T)(117), HONHO(221); +- equation: HNO(63) + NH2NO(73) <=> HNO(T)(117) + NH2NO(73) # Reaction 554 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-9.505, -3.119e-06, -1.912e-06, -8.967e-07] + - [9.476, 1.075e-06, 6.587e-07, 3.09e-07] + - [0.04985, 4.486e-07, 2.749e-07, 1.29e-07] + - [0.02684, -1.329e-07, -8.147e-08, -3.822e-08] + - [2.396e-03, 4.865e-09, 2.982e-09, 1.399e-09] + - [5.114e-03, 8.772e-09, 5.376e-09, 2.522e-09] + note: |- + Reaction index: Chemkin #554; RMG #4190 + PDep reaction: PDepNetwork #356 + Flux pairs: NH2NO(73), NH2NO(73); HNO(63), HNO(T)(117); +- equation: HNO(63) + NH2NO(73) <=> HNO(T)(117) + NH2NO(73) # Reaction 555 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-1.719, -1.259e-03, -7.646e-04, -3.529e-04] + - [5.93, -2.26e-03, -1.372e-03, -6.325e-04] + - [-0.1516, -1.633e-03, -9.89e-04, -4.542e-04] + - [-0.1443, -9.332e-04, -5.627e-04, -2.562e-04] + - [-0.08911, -3.977e-04, -2.37e-04, -1.055e-04] + - [-0.04299, -9.973e-05, -5.667e-05, -2.288e-05] + note: |- + Reaction index: Chemkin #555; RMG #4238 + PDep reaction: PDepNetwork #355 + Flux pairs: NH2NO(73), NH2NO(73); HNO(63), HNO(T)(117); +- equation: O(8) + N2H3(15) <=> HNO(T)(117) + NH2(16) # Reaction 556 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.08, -6.149e-04, -3.751e-04, -1.745e-04] + - [0.7932, -2.013e-04, -1.228e-04, -5.705e-05] + - [-0.09698, 2.85e-04, 1.736e-04, 8.048e-05] + - [-7.47e-03, 8.832e-05, 5.371e-05, 2.484e-05] + - [0.01307, -4.796e-05, -2.918e-05, -1.351e-05] + - [2.557e-03, -2.763e-05, -1.677e-05, -7.731e-06] + note: |- + Reaction index: Chemkin #556; RMG #4275 + PDep reaction: PDepNetwork #300 + Flux pairs: O(8), HNO(T)(117); N2H3(15), NH2(16); +- equation: HNO(T)(117) + NH2(16) <=> H(5) + NH2NO(73) # Reaction 557 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.97, -0.07145, -0.03331, -8.845e-03] + - [-0.0677, -0.06551, -0.03109, -9.143e-03] + - [-0.1516, 0.01098, 4.347e-03, -1.572e-04] + - [-0.02158, 0.02322, 0.01013, 1.848e-03] + - [0.01763, 8.368e-03, 3.531e-03, 7.762e-04] + - [7.649e-03, -1.462e-03, -7.059e-04, 3.116e-06] + note: |- + Reaction index: Chemkin #557; RMG #4872 + PDep reaction: PDepNetwork #473 + Flux pairs: HNO(T)(117), NH2NO(73); NH2(16), H(5); +- equation: HNO(T)(117) + NH2(16) <=> N2H3O(81) # Reaction 558 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.52, 1.407, -0.03297, -3.02e-03] + - [0.4801, -0.102, -0.03089, 2.297e-05] + - [-0.2634, -8.327e-03, 4.193e-03, 3.682e-03] + - [-0.09737, 0.01841, 9.931e-03, 1.748e-03] + - [-6.157e-03, 9.993e-03, 3.473e-03, -4.427e-04] + - [8.311e-03, 9.988e-04, -5.638e-04, -7.265e-04] + note: |- + Reaction index: Chemkin #558; RMG #4869 + PDep reaction: PDepNetwork #473 + Flux pairs: HNO(T)(117), N2H3O(81); NH2(16), N2H3O(81); +- equation: HNO(T)(117) + NH2(16) <=> OH(7) + H2NN(S)(18) # Reaction 559 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.72, -0.248, -0.12, -0.03496] + - [1.093, 0.03848, 0.02562, 9.757e-03] + - [-0.2263, 0.01228, 0.0104, 4.896e-03] + - [-0.1057, 0.01615, 7.189e-03, 1.025e-03] + - [-9.094e-03, 5.608e-03, 1.264e-03, -6.897e-04] + - [7.191e-03, -1.156e-03, -1.247e-03, -6.349e-04] + note: |- + Reaction index: Chemkin #559; RMG #4874 + PDep reaction: PDepNetwork #473 + Flux pairs: HNO(T)(117), OH(7); NH2(16), H2NN(S)(18); +- equation: HNO(T)(117) + NH2(16) <=> N[N]O(355) # Reaction 560 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.17, 1.201, -0.1376, -0.03641] + - [0.5295, -0.01256, 0.01066, 9.485e-03] + - [-0.2717, -4.926e-03, 7.763e-03, 6.003e-03] + - [-0.107, 0.01504, 8.567e-03, 1.563e-03] + - [-9.324e-03, 8.227e-03, 2.544e-03, -7.685e-04] + - [7.837e-03, 4.129e-04, -8.826e-04, -8.495e-04] + note: |- + Reaction index: Chemkin #560; RMG #4870 + PDep reaction: PDepNetwork #473 + Flux pairs: HNO(T)(117), N[N]O(355); NH2(16), N[N]O(355); +- equation: HNO(T)(117) <=> HNO(63) # Reaction 561 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.475, 0.7131, -0.2205, 5.328e-03] + - [-0.1518, 0.1572, 4.48e-04, -0.02016] + - [-0.03783, 0.0323, 5.309e-03, -3.914e-03] + - [-6.146e-03, 2.574e-03, 2.342e-03, -1.251e-05] + - [-2.889e-03, 1.998e-03, 2.569e-04, -8.23e-05] + - [4.209e-04, -9.79e-04, 2.049e-04, 1.623e-04] + note: |- + Reaction index: Chemkin #561; RMG #4867 + PDep reaction: PDepNetwork #470 + Flux pairs: HNO(T)(117), HNO(63); +- equation: HNO(T)(117) <=> NO(28) + H(5) # Reaction 562 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [3.529, 0.4499, -0.2467, 0.01148] + - [3.946, 0.1581, 2.552e-03, -6.277e-03] + - [-0.05099, 0.01661, -4.708e-04, -9.858e-04] + - [-0.02355, -1.512e-03, 1.532e-03, -8.837e-04] + - [4.138e-03, -2.991e-03, 1.586e-03, -5.296e-04] + - [-8.501e-03, 5.602e-03, -2.461e-03, 7.849e-04] + note: |- + Reaction index: Chemkin #562; RMG #4868 + PDep reaction: PDepNetwork #470 + Flux pairs: HNO(T)(117), NO(28); HNO(T)(117), H(5); +- equation: N2O4(82) + N2H3(15) <=> N2O3(85) + N2H3O(81) # Reaction 563 + rate-constant: {A: 3.69e+11, b: 0.87, Ea: 8.047} + note: |- + Reaction index: Chemkin #563; RMG #207 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2O4(82), N2O3(85); N2H3(15), N2H3O(81); +- equation: N2O3(85) <=> NO(28) + NO2(60) # Reaction 564 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.167, 1.382, -0.05107, -0.01538] + - [0.7697, 0.02226, 1.378e-03, -4.255e-03] + - [-3.239e-03, -0.01313, -9.428e-03, -3.196e-03] + - [7.28e-03, -6.762e-03, -2.754e-03, -9.448e-04] + - [-9.571e-04, -2.1e-03, -7.681e-04, -4.282e-04] + - [-3.215e-03, -2.242e-04, -6.797e-05, -1.001e-04] + note: |- + Reaction index: Chemkin #564; RMG #4899 + PDep reaction: PDepNetwork #519 + Flux pairs: N2O3(85), NO(28); N2O3(85), NO2(60); +- equation: NO(28) + HNO(T)(117) <=> NO(28) + HNO(63) # Reaction 565 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [13.25, -1.246e-03, -7.572e-04, -3.499e-04] + - [-1.257, -1.962e-03, -1.191e-03, -5.489e-04] + - [-0.1955, -1.203e-03, -7.283e-04, -3.341e-04] + - [-0.0352, -6.562e-04, -3.961e-04, -1.807e-04] + - [-6.641e-03, -3.357e-04, -2.02e-04, -9.161e-05] + - [-1.6e-03, -1.594e-04, -9.554e-05, -4.303e-05] + note: |- + Reaction index: Chemkin #565; RMG #4910 + PDep reaction: PDepNetwork #484 + Flux pairs: HNO(T)(117), HNO(63); NO(28), NO(28); +- equation: N2O2(274) <=> NO(28) + NO(28) # Reaction 566 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.871, 1.5, -1.169e-04, -5.421e-05] + - [0.186, -3.374e-04, -2.056e-04, -9.54e-05] + - [-0.07919, -2.336e-04, -1.426e-04, -6.634e-05] + - [-0.05141, -1.273e-04, -7.817e-05, -3.677e-05] + - [2.607e-03, -5.09e-05, -3.198e-05, -1.566e-05] + - [0.02541, -6.4e-06, -5.059e-06, -3.318e-06] + note: |- + Reaction index: Chemkin #566; RMG #5005 + PDep reaction: PDepNetwork #520 + Flux pairs: N2O2(274), NO(28); N2O2(274), NO(28); +- equation: NO(28) + HNO(T)(117) <=> N2O2(274) + H(5) # Reaction 567 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-0.124, -1.226e-04, -7.514e-05, -3.522e-05] + - [4.252, -2.274e-04, -1.393e-04, -6.53e-05] + - [-0.196, -1.841e-04, -1.128e-04, -5.287e-05] + - [-0.03627, -1.33e-04, -8.149e-05, -3.819e-05] + - [-8.665e-03, -8.718e-05, -5.34e-05, -2.502e-05] + - [-2.387e-03, -5.226e-05, -3.201e-05, -1.499e-05] + note: |- + Reaction index: Chemkin #567; RMG #4918 + PDep reaction: PDepNetwork #484 + Flux pairs: HNO(T)(117), N2O2(274); NO(28), H(5); +- equation: HNO3(80) + NH3(1) <=> H2O(9) + H2NONO(99) # Reaction 568 + rate-constant: {A: 23.2, b: 3.5, Ea: 44.93} + note: |- + Reaction index: Chemkin #568; RMG #288 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO3(80), H2NONO(99); NH3(1), H2O(9); +- equation: HNO(63) + HNO(63) <=> H2NONO(99) # Reaction 569 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-11.36, 1.494, -3.501e-03, -1.631e-03] + - [7.448, -5.437e-04, -3.301e-04, -1.522e-04] + - [0.3009, -1.562e-03, -9.5e-04, -4.395e-04] + - [0.05482, -4.548e-04, -2.763e-04, -1.275e-04] + - [5.127e-03, -1.425e-04, -8.61e-05, -3.934e-05] + - [-5.085e-04, -4.215e-05, -2.532e-05, -1.145e-05] + note: |- + Reaction index: Chemkin #569; RMG #2075 + PDep reaction: PDepNetwork #86 + Flux pairs: HNO(63), H2NONO(99); HNO(63), H2NONO(99); +- equation: NO2(60) + NH2(16) <=> H2NONO(99) # Reaction 570 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.685, 1.49, -6.332e-03, -2.931e-03] + - [-0.2058, 3.335e-03, 2.014e-03, 9.19e-04] + - [0.08184, -2.302e-03, -1.39e-03, -6.342e-04] + - [0.02229, -2.164e-04, -1.34e-04, -6.399e-05] + - [6.0e-04, -7.054e-05, -4.19e-05, -1.854e-05] + - [-1.49e-03, -9.842e-06, -5.859e-06, -2.602e-06] + note: |- + Reaction index: Chemkin #570; RMG #2135 + PDep reaction: PDepNetwork #114 + Flux pairs: NO2(60), H2NONO(99); NH2(16), H2NONO(99); +- equation: NO2(60) + NH3(1) <=> H(5) + H2NONO(99) # Reaction 571 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-22.26, -4.288e-05, -2.628e-05, -1.233e-05] + - [13.71, -4.132e-06, -2.532e-06, -1.188e-06] + - [0.05445, 1.029e-05, 6.307e-06, 2.958e-06] + - [-2.219e-03, -6.3e-07, -3.861e-07, -1.811e-07] + - [-3.287e-03, -2.392e-06, -1.466e-06, -6.875e-07] + - [-1.123e-03, 1.405e-06, 8.608e-07, 4.037e-07] + note: |- + Reaction index: Chemkin #571; RMG #2159 + PDep reaction: PDepNetwork #108 + Flux pairs: NO2(60), H2NONO(99); NH3(1), H(5); +- equation: NO(28) + NH2O(93) <=> H2NONO(99) # Reaction 572 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.625, 1.371, -0.04856, -0.01012] + - [-0.4837, 0.1158, 0.03855, 5.296e-03] + - [0.03739, -0.01214, -3.937e-03, -4.585e-04] + - [0.02964, -5.181e-03, 2.736e-04, 3.043e-04] + - [-4.086e-04, 5.738e-03, -1.202e-03, -5.271e-04] + - [3.605e-03, -5.432e-03, 1.353e-03, 4.917e-04] + note: |- + Reaction index: Chemkin #572; RMG #3359 + PDep reaction: PDepNetwork #94 + Flux pairs: NO(28), H2NONO(99); NH2O(93), H2NONO(99); +- equation: HNO(63) + HNO(63) <=> NO2(60) + NH2(16) # Reaction 573 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-8.818, -5.736e-03, -3.502e-03, -1.632e-03] + - [7.37, -5.508e-04, -3.344e-04, -1.542e-04] + - [0.1821, -1.564e-03, -9.511e-04, -4.4e-04] + - [0.0244, -4.552e-04, -2.765e-04, -1.276e-04] + - [3.111e-03, -1.423e-04, -8.599e-05, -3.928e-05] + - [5.145e-04, -4.19e-05, -2.517e-05, -1.138e-05] + note: |- + Reaction index: Chemkin #573; RMG #5006 + PDep reaction: PDepNetwork #86 + Flux pairs: HNO(63), NO2(60); HNO(63), NH2(16); +- equation: ONONO2(78) (+M) <=> NO(28) + NO3(79) (+M) # Reaction 574 + type: falloff + low-P-rate-constant: {A: 2.37e+41, b: -7.36, Ea: 31.704} + high-P-rate-constant: {A: 2.41e+21, b: -1.76, Ea: 31.535} + note: |- + Reaction index: Chemkin #574; RMG #194 + Library reaction: primaryNitrogenLibrary + Flux pairs: ONONO2(78), NO(28); ONONO2(78), NO3(79); + Reaction library: 'primaryNitrogenLibrary' +- equation: NO3(79) + N2H4(22) <=> HNO3(80) + N2H3(15) # Reaction 575 + rate-constant: {A: 1.28e+04, b: 2.53, Ea: -2.947} + note: |- + Reaction index: Chemkin #575; RMG #196 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO3(79), HNO3(80); N2H4(22), N2H3(15); +- equation: NO3(79) + N2H4(22) <=> HONO(77) + N2H3O(81) # Reaction 576 + rate-constant: {A: 3460.0, b: 2.51, Ea: -7.452} + note: |- + Reaction index: Chemkin #576; RMG #197 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO3(79), HONO(77); N2H4(22), N2H3O(81); +- equation: NO3(79) + NH3(1) <=> HNO3(80) + NH2(16) # Reaction 577 + type: pressure-dependent-Arrhenius + rate-constants: + - {P: 0.001316 atm, A: 2.57, b: 3.61, Ea: 0.964} + - {P: 0.013158 atm, A: 5.67, b: 3.53, Ea: 1.598} + - {P: 0.131579 atm, A: 4.61, b: 3.56, Ea: 1.691} + - {P: 1.0 atm, A: 4.06, b: 3.57, Ea: 1.689} + - {P: 10.0 atm, A: 3.85, b: 3.58, Ea: 1.679} + - {P: 100.0 atm, A: 3.63, b: 3.59, Ea: 1.669} + note: |- + Reaction index: Chemkin #577; RMG #258 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO3(79), HNO3(80); NH3(1), NH2(16); +- equation: NO2(60) + NO2(60) <=> NO(28) + NO3(79) # Reaction 578 + rate-constant: {A: 1.0e+13, b: 0.0, Ea: 25.8} + note: |- + Reaction index: Chemkin #578; RMG #265 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO2(60), NO3(79); NO2(60), NO(28); +- equation: H(5) + HNO3(80) <=> NO3(79) + H2(4) # Reaction 579 + rate-constant: {A: 5.56e+08, b: 1.53, Ea: 16.4} + note: |- + Reaction index: Chemkin #579; RMG #276 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO3(80), NO3(79); H(5), H2(4); +- equation: OH(7) + HNO3(80) <=> NO3(79) + H2O(9) # Reaction 580 + rate-constant: {A: 8.73, b: 3.5, Ea: -1.667} + note: |- + Reaction index: Chemkin #580; RMG #293 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO3(80), NO3(79); OH(7), H2O(9); +- equation: O(8) + NO2(60) (+M) <=> NO3(79) (+M) # Reaction 581 + 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} + note: |- + Reaction index: Chemkin #581; RMG #1061 + Library reaction: NOx2018 + Flux pairs: O(8), NO3(79); NO2(60), NO3(79); + Reaction library: 'NOx2018' +- equation: NO3(79) + H(5) <=> NO2(60) + OH(7) # Reaction 582 + rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #582; RMG #1062 + Library reaction: NOx2018 + Flux pairs: NO3(79), NO2(60); H(5), OH(7); +- equation: O(8) + NO3(79) <=> O2(3) + NO2(60) # Reaction 583 + rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #583; RMG #1063 + Library reaction: NOx2018 + Flux pairs: NO3(79), NO2(60); O(8), O2(3); +- equation: NO3(79) + OH(7) <=> NO2(60) + HO2(10) # Reaction 584 + rate-constant: {A: 1.4e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #584; RMG #1064 + Library reaction: NOx2018 + Flux pairs: NO3(79), NO2(60); OH(7), HO2(10); +- equation: NO3(79) + HO2(10) <=> O2(3) + NO2(60) + OH(7) # Reaction 585 + rate-constant: {A: 1.5e+12, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #585; RMG #1065 + Library reaction: NOx2018 + Flux pairs: NO3(79), NO2(60); HO2(10), OH(7); HO2(10), O2(3); +- equation: NO2(60) + NO3(79) <=> O2(3) + NO(28) + NO2(60) # Reaction 586 + rate-constant: {A: 5.0e+10, b: 0.0, Ea: 2.94} + note: |- + Reaction index: Chemkin #586; RMG #1066 + Library reaction: NOx2018 + Flux pairs: NO3(79), NO2(60); NO2(60), NO(28); NO2(60), O2(3); +- equation: NO3(79) + NNH(71) <=> N2(2) + HNO3(80) # Reaction 587 + rate-constant: {A: 3.6e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #587; RMG #3760 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C + Multiplied by reaction path degeneracy 3.0 +- equation: NO3(79) + HO2(10) <=> O2(3) + HNO3(80) # Reaction 588 + rate-constant: {A: 2.748471e+05, b: 1.877, Ea: 3.422} + note: |- + Reaction index: Chemkin #588; RMG #3761 + Template reaction: H_Abstraction + Flux pairs: HO2(10), O2(3); NO3(79), HNO3(80); + Estimated using average of templates [X_H;O_rad/OneDeN] + [Orad_O_H;O_sec_rad] for rate rule [Orad_O_H;O_rad/OneDeN] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 3.0 + family: H_Abstraction +- equation: NO3(79) + H2O2(11) <=> HO2(10) + HNO3(80) # Reaction 589 + rate-constant: {A: 0.2097, b: 3.75, Ea: 19.545} + note: |- + Reaction index: Chemkin #589; RMG #3762 + Template reaction: H_Abstraction + Flux pairs: H2O2(11), HO2(10); NO3(79), HNO3(80); + Estimated using template [H2O2;O_rad/OneDe] for rate rule [H2O2;O_rad/OneDeN] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 6.0 + family: H_Abstraction +- equation: NO3(79) + NH2OOH(133) <=> HNO3(80) + NO[O](227) # Reaction 590 + rate-constant: {A: 0.10485, b: 3.75, Ea: 19.545} + note: |- + Reaction index: Chemkin #590; RMG #3763 + Template reaction: H_Abstraction + Flux pairs: NH2OOH(133), NO[O](227); NO3(79), HNO3(80); + Estimated using template [O/H/NonDeO;O_rad/OneDe] for rate rule [O/H/NonDeO;O_rad/OneDeN] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 3.0 + family: H_Abstraction +- equation: NO3(79) + NH2OH(94) <=> HNO3(80) + NH2O(93) # Reaction 591 + rate-constant: {A: 0.10485, b: 3.75, Ea: 19.545} + note: |- + Reaction index: Chemkin #591; RMG #3764 + Template reaction: H_Abstraction + Flux pairs: NH2OH(94), NH2O(93); NO3(79), HNO3(80); + Estimated using template [O_sec;O_rad/OneDe] for rate rule [O/H/NonDeN;O_rad/OneDeN] + Euclidian distance = 1.4142135623730951 + Multiplied by reaction path degeneracy 3.0 + family: H_Abstraction +- equation: NO3(79) + HNOH(76) <=> HNO(63) + HNO3(80) # Reaction 592 + rate-constant: {A: 8.82e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #592; RMG #3766 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); HNOH(76), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 3.0 +- equation: NO3(79) + NH2O(93) <=> HNO(63) + HNO3(80) # Reaction 593 + rate-constant: {A: 1.44e+07, b: 2.0, Ea: 1.192} + note: |- + Reaction index: Chemkin #593; RMG #3767 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); NH2O(93), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C + Multiplied by reaction path degeneracy 6.0 +- equation: NO3(79) + HNO(63) <=> NO(28) + HNO3(80) # Reaction 594 + rate-constant: {A: 7.2e+06, b: 2.0, Ea: -1.19} + note: |- + Reaction index: Chemkin #594; RMG #3769 + Template reaction: H_Abstraction + Flux pairs: HNO(63), NO(28); NO3(79), HNO3(80); + Estimated using template [N3d/H/NonDe;O_rad] for rate rule [N3d/H/NonDeO;O_rad/OneDeN] + Euclidian distance = 3.1622776601683795 + Multiplied by reaction path degeneracy 3.0 + family: H_Abstraction +- equation: O(8) + HNO3(80) <=> NO3(79) + OH(7) # Reaction 595 + rate-constant: {A: 1.7e+08, b: 1.5, Ea: 24.76} + note: |- + Reaction index: Chemkin #595; RMG #3770 + Template reaction: H_Abstraction + Flux pairs: O(8), OH(7); HNO3(80), NO3(79); + From training reaction 657 used for O/H/OneDeN;O_atom_triplet + Exact match found for rate rule [O/H/OneDeN;O_atom_triplet] + Euclidian distance = 0 + family: H_Abstraction +- equation: NO3(79) + HONO(77) <=> NO2(60) + HNO3(80) # Reaction 596 + rate-constant: {A: 0.10485, b: 3.75, Ea: 19.545} + note: |- + Reaction index: Chemkin #596; RMG #3773 + Template reaction: H_Abstraction + Flux pairs: HONO(77), NO2(60); NO3(79), HNO3(80); + Estimated using template [O_sec;O_rad/OneDe] for rate rule [O/H/OneDeN;O_rad/OneDeN] + Euclidian distance = 2.23606797749979 + Multiplied by reaction path degeneracy 3.0 + family: H_Abstraction +- equation: NO3(79) + HNO2(74) <=> NO2(60) + HNO3(80) # Reaction 597 + rate-constant: {A: 0.508719, b: 3.755, Ea: 8.482} + note: |- + Reaction index: Chemkin #597; RMG #3774 + Template reaction: H_Abstraction + Flux pairs: HNO2(74), NO2(60); NO3(79), HNO3(80); + Estimated using template [X_H;O_rad/OneDeN] for rate rule [N5dc_H;O_rad/OneDeN] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 3.0 + family: H_Abstraction +- equation: NO3(79) + NH2OH(94) <=> HNO3(80) + HNOH(76) # Reaction 598 + rate-constant: {A: 1.74e+05, b: 2.69, Ea: 9.56} + note: |- + Reaction index: Chemkin #598; RMG #3775 + Template reaction: H_Abstraction + Flux pairs: NH2OH(94), HNOH(76); NO3(79), HNO3(80); + Estimated using template [N3s/H2/NonDeO;O_sec_rad] for rate rule [N3s/H2/NonDeO;O_rad/OneDeN] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 6.0 + family: H_Abstraction +- equation: NO3(79) + NH2(16) <=> NH(37) + HNO3(80) # Reaction 599 + rate-constant: {A: 1.017438, b: 3.755, Ea: 8.482} + note: |- + Reaction index: Chemkin #599; RMG #3776 + Template reaction: H_Abstraction + Flux pairs: NH2(16), NH(37); NO3(79), HNO3(80); + Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;O_rad/OneDeN] for rate rule [NH2_rad_H;O_rad/OneDeN] + Euclidian distance = 3.0 + Multiplied by reaction path degeneracy 6.0 + family: H_Abstraction +- equation: NO3(79) + N2H3(15) <=> HNO3(80) + N2H2(17) # Reaction 600 + rate-constant: {A: 7.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #600; RMG #3777 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 + Multiplied by reaction path degeneracy 6.0 +- equation: NO3(79) + N2H2(17) <=> HNO3(80) + NNH(71) # Reaction 601 + rate-constant: {A: 1.44e+07, b: 2.0, Ea: -1.19} + note: |- + Reaction index: Chemkin #601; RMG #3779 + Template reaction: H_Abstraction + Flux pairs: N2H2(17), NNH(71); NO3(79), HNO3(80); + Estimated using template [N3d/H/NonDeN;O_rad] for rate rule [N3d/H/NonDeN;O_rad/OneDeN] + Euclidian distance = 3.0 + Multiplied by reaction path degeneracy 6.0 + family: H_Abstraction +- equation: NO3(79) + H2NN(S)(18) <=> HNO3(80) + NNH(71) # Reaction 602 + rate-constant: {A: 1.017438, b: 3.755, Ea: 8.482} + note: |- + Reaction index: Chemkin #602; RMG #3781 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); NO3(79), HNO3(80); + Estimated using template [X_H;O_rad/OneDeN] for rate rule [N5dc_H;O_rad/OneDeN] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 6.0 + family: H_Abstraction +- equation: NO3(79) + N2H3(15) <=> HNO3(80) + H2NN(S)(18) # Reaction 603 + rate-constant: {A: 3.6e+06, b: 2.0, Ea: 2.343} + note: |- + Reaction index: Chemkin #603; RMG #3783 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 + Multiplied by reaction path degeneracy 3.0 +- equation: NO3(79) + HONHO(221) <=> HONO(77) + HNO3(80) # Reaction 604 + rate-constant: {A: 7.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #604; RMG #3791 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); HONHO(221), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C + Multiplied by reaction path degeneracy 3.0 +- equation: NO3(79) + N[N]O(355) <=> HNO3(80) + NH2NO(73) # Reaction 605 + rate-constant: {A: 8.82e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #605; RMG #3792 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 3.0 +- equation: NO3(79) + N2H3O(81) <=> HNO3(80) + NH2NO(73) # Reaction 606 + rate-constant: {A: 7.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #606; RMG #3793 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); N2H3O(81), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C + Multiplied by reaction path degeneracy 3.0 +- equation: NO3(79) + HONHO(221) <=> HNO2(74) + HNO3(80) # Reaction 607 + rate-constant: {A: 8.82e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #607; RMG #3796 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 3.0 +- equation: NO3(79) + H(5) <=> HNO3(80) # Reaction 608 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.23, 1.499, -8.794e-04, -4.117e-04] + - [-0.2371, 9.293e-04, 5.685e-04, 2.658e-04] + - [-0.03913, -1.915e-05, -1.155e-05, -5.256e-06] + - [-8.224e-03, -4.827e-06, -2.959e-06, -1.388e-06] + - [-4.109e-03, 3.452e-06, 2.113e-06, 9.886e-07] + - [-3.641e-03, 7.32e-06, 4.48e-06, 2.096e-06] + note: |- + Reaction index: Chemkin #608; RMG #5217 + PDep reaction: PDepNetwork #543 + Flux pairs: NO3(79), HNO3(80); H(5), HNO3(80); +- equation: NO3(79) + NH2O(93) <=> HNO(T)(117) + HNO3(80) # Reaction 609 + rate-constant: {A: 1.017438, b: 3.755, Ea: 8.482} + note: |- + Reaction index: Chemkin #609; RMG #5174 + Template reaction: H_Abstraction + Flux pairs: NO3(79), HNO3(80); NH2O(93), HNO(T)(117); + Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;O_rad/OneDeN] for rate rule [N5sc_radH;O_rad/OneDeN] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 6.0 + family: H_Abstraction +- equation: N2O2(274) + NH3(1) <=> NO(28) + N2H3O(81) # Reaction 610 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-3.224, -1.912e-03, -1.169e-03, -5.468e-04] + - [8.738, -1.713e-03, -1.047e-03, -4.885e-04] + - [0.07479, -3.983e-04, -2.429e-04, -1.129e-04] + - [-9.005e-03, 5.283e-05, 3.256e-05, 1.542e-05] + - [-0.01321, 9.903e-05, 6.056e-05, 2.829e-05] + - [-6.481e-03, 5.061e-05, 3.09e-05, 1.44e-05] + note: |- + Reaction index: Chemkin #610; RMG #5207 + PDep reaction: PDepNetwork #523 + Flux pairs: N2O2(274), N2H3O(81); NH3(1), NO(28); +- equation: N2O(59) + NH2(16) <=> NO(28) + H2NN(S)(18) # Reaction 611 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [2.22, -8.341e-03, -5.077e-03, -2.352e-03] + - [5.218, 6.051e-03, 3.668e-03, 1.686e-03] + - [0.0827, -3.379e-04, -1.978e-04, -8.502e-05] + - [0.0243, -1.629e-05, -1.082e-05, -5.774e-06] + - [6.514e-03, -2.006e-05, -1.214e-05, -5.57e-06] + - [1.149e-03, -3.579e-07, -2.488e-07, -1.413e-07] + note: |- + Reaction index: Chemkin #611; RMG #5233 + PDep reaction: PDepNetwork #241 + Flux pairs: N2O(59), NO(28); NH2(16), H2NN(S)(18); +- equation: N(27) + NO(28) <=> O(8) + N2(2) # Reaction 612 + rate-constant: {A: 4.29e+13, b: 0.0, Ea: 1.564} + note: |- + Reaction index: Chemkin #612; RMG #92 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), O(8); N(27), N2(2); +- equation: O2(3) + N(27) <=> O(8) + NO(28) # Reaction 613 + rate-constant: {A: 9.0e+09, b: 1.0, Ea: 6.5} + note: |- + Reaction index: Chemkin #613; RMG #93 + Library reaction: primaryNitrogenLibrary + Flux pairs: O2(3), NO(28); N(27), O(8); +- equation: NO(28) + H(5) <=> N(27) + OH(7) # Reaction 614 + rate-constant: {A: 1.7e+14, b: 0.0, Ea: 47.574} + note: |- + Reaction index: Chemkin #614; RMG #94 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), OH(7); H(5), N(27); +- equation: N(27) + NH(37) <=> N2(2) + H(5) # Reaction 615 + rate-constant: {A: 6.41e+11, b: 0.51, Ea: 0.018} + note: |- + Reaction index: Chemkin #615; RMG #172 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH(37), N2(2); N(27), H(5); +- equation: N(27) + NH(37) <=> N(27) + N(27) + H(5) # Reaction 616 + rate-constant: {A: 7.75e+14, b: -0.2, Ea: 54.159} + note: |- + Reaction index: Chemkin #616; RMG #173 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH(37), N(27); N(27), H(5); N(27), N(27); +- equation: NH(37) + M <=> N(27) + H(5) + M # Reaction 617 + type: three-body + rate-constant: {A: 2.65e+14, b: 0.0, Ea: 75.5} + note: |- + Reaction index: Chemkin #617; RMG #183 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH(37), N(27); NH(37), H(5); +- equation: NH(37) + NH(37) <=> N(27) + NH2(16) # Reaction 618 + rate-constant: {A: 0.566, b: 3.88, Ea: 0.342} + note: |- + Reaction index: Chemkin #618; RMG #248 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH(37), NH2(16); NH(37), N(27); +- equation: NH(37) + NH2(16) <=> N(27) + NH3(1) # Reaction 619 + rate-constant: {A: 9580.0, b: 2.46, Ea: 0.107} + note: |- + Reaction index: Chemkin #619; RMG #250 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2(16), NH3(1); NH(37), N(27); +- equation: NO(28) + M <=> O(8) + N(27) + M # Reaction 620 + type: three-body + rate-constant: {A: 9.6e+14, b: 0.0, Ea: 148.0} + efficiencies: {N2(2): 1.5} + note: |- + Reaction index: Chemkin #620; RMG #272 + Library reaction: primaryNitrogenLibrary + Flux pairs: NO(28), O(8); NO(28), N(27); +- equation: N(27) + HO2(10) <=> O2(3) + NH(37) # Reaction 621 + rate-constant: {A: 27.7894, b: 3.472, Ea: 1.313} + note: |- + Reaction index: Chemkin #621; RMG #393 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), O2(3); N(27), NH(37); +- equation: HO2(10) + NH(37) <=> N(27) + H2O2(11) # Reaction 622 + rate-constant: {A: 0.211726, b: 4.021, Ea: 3.695} + note: |- + Reaction index: Chemkin #622; RMG #394 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), H2O2(11); NH(37), N(27); +- equation: N(27) + HNO2(74) <=> NO2(60) + NH(37) # Reaction 623 + rate-constant: {A: 0.0284234, b: 4.423, Ea: 3.279} + note: |- + Reaction index: Chemkin #623; RMG #395 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO2(74), NO2(60); N(27), NH(37); +- equation: N(27) + HNO(63) <=> NO(28) + NH(37) # Reaction 624 + rate-constant: {A: 9.14196e+06, b: 2.178, Ea: 1.822} + note: |- + Reaction index: Chemkin #624; RMG #396 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO(63), NO(28); N(27), NH(37); +- equation: N(27) + N2H2(17) <=> NH(37) + NNH(71) # Reaction 625 + rate-constant: {A: 2.18748, b: 3.969, Ea: 3.882} + note: |- + Reaction index: Chemkin #625; RMG #397 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H2(17), NNH(71); N(27), NH(37); +- equation: N(27) + NH2OH(94) <=> NH(37) + NH2O(93) # Reaction 626 + rate-constant: {A: 4.47106e-05, b: 5.052, Ea: 6.801} + note: |- + Reaction index: Chemkin #626; RMG #398 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2OH(94), NH2O(93); N(27), NH(37); +- equation: N(27) + HNOH(76) <=> NH(37) + HNO(63) # Reaction 627 + rate-constant: {A: 30.8138, b: 3.398, Ea: 5.408} + note: |- + Reaction index: Chemkin #627; RMG #400 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNOH(76), HNO(63); N(27), NH(37); +- equation: NH(37) + HNOH(76) <=> N(27) + NH2OH(94) # Reaction 628 + rate-constant: {A: 2.85669e-06, b: 5.321, Ea: 3.533} + note: |- + Reaction index: Chemkin #628; RMG #401 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNOH(76), NH2OH(94); NH(37), N(27); +- equation: NH(37) + N2H3(15) <=> N(27) + N2H4(22) # Reaction 629 + rate-constant: {A: 4.18231e-04, b: 4.355, Ea: 5.369} + note: |- + Reaction index: Chemkin #629; RMG #402 + Library reaction: primaryNitrogenLibrary + Flux pairs: N2H3(15), N2H4(22); NH(37), N(27); +- equation: H(5) + NH(37) <=> N(27) + H2(4) # Reaction 630 + rate-constant: {A: 1.06816e+08, b: 1.649, Ea: 0.474} + note: |- + Reaction index: Chemkin #630; RMG #465 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH(37), N(27); H(5), H2(4); +- equation: OH(7) + NH(37) <=> N(27) + H2O(9) # Reaction 631 + rate-constant: {A: 2.61e+07, b: 1.66, Ea: -0.945} + note: |- + Reaction index: Chemkin #631; RMG #472 + Library reaction: primaryNitrogenLibrary + Flux pairs: OH(7), H2O(9); NH(37), N(27); +- equation: N(27) + NH2(16) <=> N2(2) + H(5) + H(5) # Reaction 632 + rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #632; RMG #1025 + Library reaction: NOx2018 + Flux pairs: NH2(16), N2(2); N(27), H(5); N(27), H(5); +- equation: N(27) + OH(7) <=> O(8) + NH(37) # Reaction 633 + rate-constant: {A: 6.4e+12, b: 0.1, Ea: 21.249} + note: |- + Reaction index: Chemkin #633; RMG #1634 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: OH(7), O(8); N(27), NH(37); +- equation: N(27) + NNH(71) <=> N2(2) + NH(37) # Reaction 634 + rate-constant: {A: 9.31776e+07, b: 1.48, Ea: 0.0} + note: |- + Reaction index: Chemkin #634; RMG #2243 + Template reaction: Disproportionation + Flux pairs: N(27), NH(37); NNH(71), N2(2); + Estimated from node Root_N-4R->H +- equation: NH(37) + NO[O](227) <=> N(27) + NH2OOH(133) # Reaction 635 + rate-constant: {A: 7.870017e+04, b: 2.261, Ea: 3.685} + note: |- + Reaction index: Chemkin #635; RMG #2249 + Template reaction: H_Abstraction + Flux pairs: NO[O](227), NH2OOH(133); NH(37), N(27); + Estimated using average of templates [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;O_rad/NonDeO] + [NH_triplet_H;O_rad] for rate rule [NH_triplet_H;O_rad/NonDeO] + Euclidian distance = 2.0 + family: H_Abstraction +- equation: N(27) + NH2O(93) <=> NH(37) + HNO(63) # Reaction 636 + rate-constant: {A: 1.863552e+08, b: 1.48, Ea: 0.0} + note: |- + Reaction index: Chemkin #636; RMG #2254 + Template reaction: Disproportionation + Flux pairs: NH2O(93), HNO(63); N(27), NH(37); + Estimated from node Root_N-4R->H + Multiplied by reaction path degeneracy 2.0 +- equation: N(27) + HONO(77) <=> NO2(60) + NH(37) # Reaction 637 + rate-constant: {A: 2.49336e+07, b: 1.67, Ea: 15.579} + note: |- + Reaction index: Chemkin #637; RMG #2261 + Template reaction: H_Abstraction + Flux pairs: HONO(77), NO2(60); N(27), NH(37); + Estimated using template [O/H/OneDeN;Y_rad_birad_trirad_quadrad] for rate rule [O/H/OneDeN;N_atom_quartet] + Euclidian distance = 2.0 + family: H_Abstraction +- equation: N(27) + N2H3(15) <=> NH(37) + N2H2(17) # Reaction 638 + rate-constant: {A: 1.863552e+08, b: 1.48, Ea: 0.0} + note: |- + Reaction index: Chemkin #638; RMG #2304 + Template reaction: Disproportionation + Flux pairs: N(27), NH(37); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H + Multiplied by reaction path degeneracy 2.0 +- equation: N(27) + H2NN(S)(18) <=> NH(37) + NNH(71) # Reaction 639 + rate-constant: {A: 9.034753e+10, b: 0.832, Ea: 13.727} + note: |- + Reaction index: Chemkin #639; RMG #2544 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); N(27), NH(37); + Estimated using average of templates [X_H;N_atom_quartet] + [N5dc_H;Y_rad_birad_trirad_quadrad] for rate rule [N5dc_H;N_atom_quartet] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: N(27) + N2H3(15) <=> NH(37) + H2NN(S)(18) # Reaction 640 + rate-constant: {A: 9.31776e+07, b: 1.48, Ea: 0.0} + note: |- + Reaction index: Chemkin #640; RMG #2648 + Template reaction: Disproportionation + Flux pairs: N2H3(15), H2NN(S)(18); N(27), NH(37); + Estimated from node Root_N-4R->H +- equation: N(27) + HONHO(221) <=> NH(37) + HONO(77) # Reaction 641 + rate-constant: {A: 9.31776e+07, b: 1.48, Ea: 0.0} + note: |- + Reaction index: Chemkin #641; RMG #3095 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); N(27), NH(37); + Estimated from node Root_N-4R->H +- equation: N(27) + N[N]O(355) <=> NH(37) + NH2NO(73) # Reaction 642 + rate-constant: {A: 9.31776e+07, b: 1.48, Ea: 0.0} + note: |- + Reaction index: Chemkin #642; RMG #3489 + Template reaction: Disproportionation + Flux pairs: N(27), NH(37); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H +- equation: N(27) + N2H3O(81) <=> NH(37) + NH2NO(73) # Reaction 643 + rate-constant: {A: 9.31776e+07, b: 1.48, Ea: 0.0} + note: |- + Reaction index: Chemkin #643; RMG #3490 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); N(27), NH(37); + Estimated from node Root_N-4R->H +- equation: N(27) + HONHO(221) <=> NH(37) + HNO2(74) # Reaction 644 + rate-constant: {A: 9.31776e+07, b: 1.48, Ea: 0.0} + note: |- + Reaction index: Chemkin #644; RMG #3708 + Template reaction: Disproportionation + Flux pairs: N(27), NH(37); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H +- equation: NO3(79) + NH(37) <=> N(27) + HNO3(80) # Reaction 645 + rate-constant: {A: 0.508719, b: 3.755, Ea: 8.482} + note: |- + Reaction index: Chemkin #645; RMG #5179 + Template reaction: H_Abstraction + Flux pairs: NO3(79), HNO3(80); NH(37), N(27); + Estimated using template [X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;O_rad/OneDeN] for rate rule [NH_triplet_H;O_rad/OneDeN] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 3.0 + family: H_Abstraction +- equation: NH(37) + HNO(T)(117) <=> N(27) + NH2O(93) # Reaction 646 + rate-constant: {A: 1.7e+08, b: 1.5, Ea: 52.074} + note: |- + Reaction index: Chemkin #646; RMG #5296 + Template reaction: H_Abstraction + Flux pairs: NH(37), N(27); HNO(T)(117), NH2O(93); + Estimated using an average for rate rule [NH_triplet_H;Y_1centerbirad] + Euclidian distance = 0 + family: H_Abstraction +- equation: NH2(16) + O[N]O(449) <=> HONO(77) + NH3(1) # Reaction 647 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 0.0} + note: |- + Reaction index: Chemkin #647; RMG #3047 + Template reaction: Disproportionation + Flux pairs: NH2(16), NH3(1); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: H(5) + O[N]O(449) <=> HONO(77) + H2(4) # Reaction 648 + rate-constant: {A: 9.6e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #648; RMG #3052 + Template reaction: Disproportionation + Flux pairs: H(5), H2(4); O[N]O(449), HONO(77); + Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_N-2R!H->C + Multiplied by reaction path degeneracy 2.0 +- equation: NH(37) + O[N]O(449) <=> HONO(77) + NH2(16) # Reaction 649 + rate-constant: {A: 1.21397e+14, b: -0.073, Ea: 0.745} + note: |- + Reaction index: Chemkin #649; RMG #3054 + Template reaction: Disproportionation + Flux pairs: NH(37), NH2(16); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O + Multiplied by reaction path degeneracy 2.0 +- equation: O2(3) + O[N]O(449) <=> HO2(10) + HONO(77) # Reaction 650 + rate-constant: {A: 5.08552e+08, b: 1.573, Ea: 0.0} + note: |- + Reaction index: Chemkin #650; RMG #3057 + Template reaction: Disproportionation + Flux pairs: O2(3), HO2(10); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O + Multiplied by reaction path degeneracy 4.0 +- equation: HO2(10) + O[N]O(449) <=> HONO(77) + H2O2(11) # Reaction 651 + rate-constant: {A: 5.88e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #651; RMG #3061 + Template reaction: Disproportionation + Flux pairs: HO2(10), H2O2(11); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: O[N]O(449) + N2H3(15) <=> HONO(77) + N2H4(22) # Reaction 652 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 0.084} + note: |- + Reaction index: Chemkin #652; RMG #3063 + Template reaction: Disproportionation + Flux pairs: N2H3(15), N2H4(22); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: HNO(T)(117) + O[N]O(449) <=> HONO(77) + NH2O(93) # Reaction 653 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 0.111} + note: |- + Reaction index: Chemkin #653; RMG #3065 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), NH2O(93); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: O(8) + O[N]O(449) <=> OH(7) + HONO(77) # Reaction 654 + rate-constant: {A: 6.6e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #654; RMG #3068 + Template reaction: Disproportionation + Flux pairs: O(8), OH(7); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_N-2R!H->C + Multiplied by reaction path degeneracy 2.0 +- equation: OH(7) + O[N]O(449) <=> HONO(77) + H2O(9) # Reaction 655 + rate-constant: {A: 2.54276e+08, b: 1.573, Ea: 0.0} + note: |- + Reaction index: Chemkin #655; RMG #3070 + Template reaction: Disproportionation + Flux pairs: OH(7), H2O(9); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O + Multiplied by reaction path degeneracy 2.0 +- equation: NO[O](227) + O[N]O(449) <=> HONO(77) + NH2OOH(133) # Reaction 656 + rate-constant: {A: 5.88e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #656; RMG #3072 + Template reaction: Disproportionation + Flux pairs: NO[O](227), NH2OOH(133); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: NO(28) + O[N]O(449) <=> HNO(63) + HONO(77) # Reaction 657 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 6.119} + note: |- + Reaction index: Chemkin #657; RMG #3076 + Template reaction: Disproportionation + Flux pairs: NO(28), HONO(77); O[N]O(449), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: NH2O(93) + O[N]O(449) <=> HONO(77) + NH2OH(94) # Reaction 658 + rate-constant: {A: 5.88e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #658; RMG #3083 + Template reaction: Disproportionation + Flux pairs: NH2O(93), NH2OH(94); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: HNOH(76) + O[N]O(449) <=> HONO(77) + NH2OH(94) # Reaction 659 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 0.0} + note: |- + Reaction index: Chemkin #659; RMG #3085 + Template reaction: Disproportionation + Flux pairs: O[N]O(449), HONO(77); HNOH(76), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: HNO(T)(117) + O[N]O(449) <=> HONO(77) + HNOH(76) # Reaction 660 + rate-constant: {A: 2.54276e+08, b: 1.573, Ea: 0.0} + note: |- + Reaction index: Chemkin #660; RMG #3090 + Template reaction: Disproportionation + Flux pairs: HNO(T)(117), HNOH(76); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O + Multiplied by reaction path degeneracy 2.0 +- equation: N(27) + O[N]O(449) <=> NH(37) + HONO(77) # Reaction 661 + rate-constant: {A: 1.863552e+08, b: 1.48, Ea: 0.0} + note: |- + Reaction index: Chemkin #661; RMG #3094 + Template reaction: Disproportionation + Flux pairs: N(27), NH(37); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H + Multiplied by reaction path degeneracy 2.0 +- equation: NNH(71) + O[N]O(449) <=> HONO(77) + N2H2(17) # Reaction 662 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 2.056} + note: |- + Reaction index: Chemkin #662; RMG #3100 + Template reaction: Disproportionation + Flux pairs: NNH(71), HONO(77); O[N]O(449), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: NNH(71) + O[N]O(449) <=> HONO(77) + H2NN(S)(18) # Reaction 663 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 9.371} + note: |- + Reaction index: Chemkin #663; RMG #3111 + Template reaction: Disproportionation + Flux pairs: NNH(71), HONO(77); O[N]O(449), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: NO2(60) + O[N]O(449) <=> HONO(77) + HONO(77) # Reaction 664 + rate-constant: {A: 1.176e+05, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #664; RMG #3132 + Template reaction: Disproportionation + Flux pairs: NO2(60), HONO(77); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 4.0 +- equation: NO2(60) + O[N]O(449) <=> HNO2(74) + HONO(77) # Reaction 665 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 1.005} + note: |- + Reaction index: Chemkin #665; RMG #3742 + Template reaction: Disproportionation + Flux pairs: O[N]O(449), HONO(77); NO2(60), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: NO3(79) + O[N]O(449) <=> HONO(77) + HNO3(80) # Reaction 666 + rate-constant: {A: 1.764e+05, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #666; RMG #3790 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N + Multiplied by reaction path degeneracy 6.0 +- equation: OH(7) + HNO(63) <=> O[N]O(449) # Reaction 667 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.371, 0.4666, -0.1769, 2.112e-03] + - [-0.1384, -4.292e-03, 0.0488, 0.01154] + - [-0.4252, 0.08618, -1.979e-04, -2.257e-03] + - [-0.09723, 0.01945, -1.678e-03, -7.039e-04] + - [-0.01879, -3.689e-03, 3.886e-04, 4.375e-04] + - [-2.202e-03, -3.984e-03, 7.287e-04, 1.81e-04] + note: |- + Reaction index: Chemkin #667; RMG #3876 + PDep reaction: PDepNetwork #84 + Flux pairs: OH(7), O[N]O(449); HNO(63), O[N]O(449); +- equation: O(8) + HNOH(76) <=> O[N]O(449) # Reaction 668 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [8.453, 1.495, -3.039e-03, -1.419e-03] + - [-0.2671, 3.284e-03, 2.004e-03, 9.333e-04] + - [-0.187, 4.806e-04, 2.945e-04, 1.381e-04] + - [0.01221, -3.414e-04, -2.083e-04, -9.688e-05] + - [-8.376e-04, -2.579e-05, -1.583e-05, -7.453e-06] + - [4.467e-04, 2.34e-05, 1.421e-05, 6.56e-06] + note: |- + Reaction index: Chemkin #668; RMG #3885 + PDep reaction: PDepNetwork #143 + Flux pairs: O(8), O[N]O(449); HNOH(76), O[N]O(449); +- equation: H(5) + HONO(77) <=> O[N]O(449) # Reaction 669 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.26, 0.3823, -0.05706, -4.846e-04] + - [1.071, 0.2401, -0.02915, 0.01339] + - [-0.09904, 0.06722, 0.01281, -8.246e-04] + - [-0.05709, 0.01944, 7.615e-03, -8.62e-04] + - [-0.01581, 2.17e-03, 1.771e-04, 4.861e-04] + - [-1.397e-04, -2.367e-03, -3.816e-04, 4.034e-04] + note: |- + Reaction index: Chemkin #669; RMG #3894 + PDep reaction: PDepNetwork #322 + Flux pairs: H(5), O[N]O(449); HONO(77), O[N]O(449); +- equation: H(5) + HNO2(74) <=> O[N]O(449) # Reaction 670 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.694, 1.008, -0.1693, -0.02214] + - [1.175, 0.01824, 0.04887, 0.02166] + - [-0.3023, 0.1092, 0.028, -3.163e-03] + - [-0.07257, 0.02357, -8.641e-04, -2.263e-03] + - [-9.602e-04, -0.01026, -2.502e-03, 9.254e-04] + - [2.786e-03, -4.936e-03, 3.76e-04, 4.753e-04] + note: |- + Reaction index: Chemkin #670; RMG #3903 + PDep reaction: PDepNetwork #385 + Flux pairs: H(5), O[N]O(449); HNO2(74), O[N]O(449); +- equation: HONHO(221) <=> O[N]O(449) # Reaction 671 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [4.886, 0.8051, -0.13, -1.168e-04] + - [3.418, 0.3635, 0.03013, -0.01209] + - [-0.1782, 0.04987, 0.01565, 1.622e-03] + - [-0.03812, 5.491e-04, 1.801e-03, 9.547e-04] + - [-5.053e-03, -2.082e-03, -5.299e-04, 8.102e-05] + - [4.003e-04, -6.431e-04, -3.304e-04, -4.673e-05] + note: |- + Reaction index: Chemkin #671; RMG #4105 + PDep reaction: PDepNetwork #400 + Flux pairs: HONHO(221), O[N]O(449); +- equation: OH(7) + HNO(T)(117) <=> O[N]O(449) # Reaction 672 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [11.97, 1.079, -0.1713, -0.03306] + - [-0.04011, -4.248e-03, 0.02179, 0.01528] + - [-0.2706, 0.1101, 0.0323, -2.361e-03] + - [-0.04714, 0.02266, 1.604e-03, -2.373e-03] + - [5.207e-03, -0.01293, -2.786e-03, 1.34e-03] + - [2.672e-03, -4.962e-03, 9.57e-05, 6.366e-04] + note: |- + Reaction index: Chemkin #672; RMG #4893 + PDep reaction: PDepNetwork #478 + Flux pairs: OH(7), O[N]O(449); HNO(T)(117), O[N]O(449); +- equation: OH(7) + NH2O(93) <=> H(5) + HONHO(221) # Reaction 673 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [3.925, -5.883e-04, -3.604e-04, -1.689e-04] + - [4.731, 6.431e-04, 3.938e-04, 1.845e-04] + - [0.0571, -1.299e-04, -7.95e-05, -3.717e-05] + - [0.01076, -3.581e-06, -2.227e-06, -1.071e-06] + - [1.582e-03, 1.175e-07, 7.485e-08, 3.752e-08] + - [1.822e-04, 2.079e-06, 1.273e-06, 5.967e-07] + note: |- + Reaction index: Chemkin #673; RMG #5443 + PDep reaction: PDepNetwork #71 + Flux pairs: NH2O(93), HONHO(221); OH(7), H(5); +- equation: NO(28) + HNO(T)(117) <=> NO(28) + HNO(63) # Reaction 674 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.98, -1.765e-04, -1.081e-04, -5.067e-05] + - [-0.4144, -2.243e-04, -1.374e-04, -6.438e-05] + - [-0.05593, -9.779e-05, -5.991e-05, -2.808e-05] + - [-0.01301, -4.769e-05, -2.923e-05, -1.371e-05] + - [-6.999e-03, -2.807e-05, -1.72e-05, -8.068e-06] + - [-5.035e-03, -1.402e-05, -8.587e-06, -4.022e-06] + note: |- + Reaction index: Chemkin #674; RMG #5447 + PDep reaction: PDepNetwork #483 + Flux pairs: HNO(T)(117), HNO(63); NO(28), NO(28); +- equation: N2O(59) + OH(7) <=> N2O2(274) + H(5) # Reaction 675 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-10.48, -7.717e-05, -4.73e-05, -2.218e-05] + - [11.8, -3.079e-05, -1.887e-05, -8.848e-06] + - [0.1036, -4.44e-06, -2.721e-06, -1.275e-06] + - [0.0113, -3.783e-07, -2.316e-07, -1.085e-07] + - [1.549e-03, 5.883e-09, 3.653e-09, 1.754e-09] + - [2.587e-04, 1.022e-08, 6.274e-09, 2.95e-09] + note: |- + Reaction index: Chemkin #675; RMG #5473 + PDep reaction: PDepNetwork #250 + Flux pairs: N2O(59), N2O2(274); OH(7), H(5); +- equation: NH2NO(73) + NH3(1) <=> NH2O(93) + N2H3(15) # Reaction 676 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-15.78, -1.219e-03, -7.462e-04, -3.495e-04] + - [13.73, -1.77e-04, -1.082e-04, -5.056e-05] + - [0.1517, -4.436e-04, -2.715e-04, -1.269e-04] + - [0.02917, -1.623e-04, -9.928e-05, -4.641e-05] + - [4.654e-03, -5.183e-05, -3.167e-05, -1.477e-05] + - [5.716e-04, -1.57e-05, -9.576e-06, -4.452e-06] + note: |- + Reaction index: Chemkin #676; RMG #5505 + PDep reaction: PDepNetwork #341 + Flux pairs: NH2NO(73), NH2O(93); NH3(1), N2H3(15); +- equation: NH2NO(73) + NH3(1) <=> NH2(16) + N2H3O(81) # Reaction 677 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-16.91, -1.162e-03, -7.115e-04, -3.333e-04] + - [14.15, -1.692e-04, -1.035e-04, -4.835e-05] + - [0.2156, -4.358e-04, -2.667e-04, -1.247e-04] + - [0.0376, -1.596e-04, -9.761e-05, -4.563e-05] + - [5.547e-03, -5.241e-05, -3.203e-05, -1.494e-05] + - [5.939e-04, -1.65e-05, -1.007e-05, -4.683e-06] + note: |- + Reaction index: Chemkin #677; RMG #5506 + PDep reaction: PDepNetwork #341 + Flux pairs: NH2NO(73), N2H3O(81); NH3(1), NH2(16); +- equation: O1O[N]1(277) <=> O(8) + NO(28) # Reaction 678 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [9.433, 1.482, -0.01079, -4.953e-03] + - [0.5025, 5.93e-03, 3.534e-03, 1.574e-03] + - [0.03954, -1.499e-03, -8.936e-04, -3.982e-04] + - [-3.47e-03, -4.004e-04, -2.431e-04, -1.12e-04] + - [3.865e-03, -2.641e-05, -1.82e-05, -1.019e-05] + - [1.717e-03, -6.213e-04, -3.691e-04, -1.634e-04] + note: |- + Reaction index: Chemkin #678; RMG #5580 + PDep reaction: PDepNetwork #558 + Flux pairs: O1O[N]1(277), O(8); O1O[N]1(277), NO(28); +- equation: O1O[N]1(277) <=> NO2(60) # Reaction 679 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [6.847, 2.98, -0.01199, -5.5e-03] + - [0.1791, 4.976e-03, 2.949e-03, 1.299e-03] + - [-0.0232, -1.837e-03, -1.098e-03, -4.922e-04] + - [-0.02744, -4.583e-04, -2.78e-04, -1.279e-04] + - [-5.919e-03, -4.777e-05, -3.089e-05, -1.58e-05] + - [0.01159, -6.839e-04, -4.058e-04, -1.793e-04] + note: |- + Reaction index: Chemkin #679; RMG #5572 + PDep reaction: PDepNetwork #558 + Flux pairs: O1O[N]1(277), NO2(60); +- equation: HNNO(70) + M <=> NO(28) + NH(37) + M # Reaction 680 + type: three-body + rate-constant: {A: 4.0e+15, b: 0.0, Ea: 49.952} + note: |- + Reaction index: Chemkin #680; RMG #162 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNNO(70), NO(28); HNNO(70), NH(37); +- equation: HNNO(70) + M <=> N2(2) + OH(7) + M # Reaction 681 + type: three-body + rate-constant: {A: 6.8e+12, b: 0.0, Ea: 29.398} + note: |- + Reaction index: Chemkin #681; RMG #163 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNNO(70), N2(2); HNNO(70), OH(7); +- equation: HNNO(70) + M <=> O(8) + NNH(71) + M # Reaction 682 + type: three-body + rate-constant: {A: 4.9e+15, b: 0.0, Ea: 61.663} + note: |- + Reaction index: Chemkin #682; RMG #167 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNNO(70), O(8); HNNO(70), NNH(71); +- equation: NO2(60) + NH2(16) <=> OH(7) + HNNO(70) # Reaction 683 + duplicate: true + rate-constant: {A: 3.35e+14, b: -0.926, Ea: 5.477} + note: |- + Reaction index: Chemkin #683; RMG #262 + Library reaction: primaryNitrogenLibrary +- equation: NO2(60) + NH2(16) <=> OH(7) + HNNO(70) # Reaction 684 + duplicate: true + rate-constant: {A: 2.38e+12, b: -0.107, Ea: 11.238} + note: |- + Reaction index: Chemkin #684; RMG #262 + Library reaction: primaryNitrogenLibrary +- equation: NH(37) + HNNO(70) <=> N(27) + NH2NO(73) # Reaction 685 + rate-constant: {A: 4.6901e-38, b: 14.129, Ea: 0.998} + note: |- + Reaction index: Chemkin #685; RMG #399 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNNO(70), NH2NO(73); NH(37), N(27); +- equation: HNNO(70) + NH2(16) <=> NH(37) + NH2NO(73) # Reaction 686 + rate-constant: {A: 1.27732e-07, b: 5.526, Ea: 10.137} + note: |- + Reaction index: Chemkin #686; RMG #413 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNNO(70), NH2NO(73); NH2(16), NH(37); +- equation: HNNO(70) + N2H4(22) <=> NH2NO(73) + N2H3(15) # Reaction 687 + rate-constant: {A: 0.946419, b: 3.534, Ea: 8.42} + note: |- + Reaction index: Chemkin #687; RMG #421 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNNO(70), NH2NO(73); N2H4(22), N2H3(15); +- equation: HNO(63) + HNNO(70) <=> NO(28) + NH2NO(73) # Reaction 688 + rate-constant: {A: 515.701, b: 3.013, Ea: 6.102} + note: |- + Reaction index: Chemkin #688; RMG #430 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNNO(70), NH2NO(73); HNO(63), NO(28); +- equation: HNO2(74) + HNNO(70) <=> NO2(60) + NH2NO(73) # Reaction 689 + rate-constant: {A: 6.49987e-13, b: 7.224, Ea: 11.784} + note: |- + Reaction index: Chemkin #689; RMG #441 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNO2(74), NO2(60); HNNO(70), NH2NO(73); +- equation: HONO(77) + HNNO(70) <=> NO2(60) + NH2NO(73) # Reaction 690 + rate-constant: {A: 2.88652e-12, b: 6.519, Ea: 9.953} + note: |- + Reaction index: Chemkin #690; RMG #442 + Library reaction: primaryNitrogenLibrary + Flux pairs: HONO(77), NO2(60); HNNO(70), NH2NO(73); +- equation: HO2(10) + HNNO(70) <=> O2(3) + NH2NO(73) # Reaction 691 + rate-constant: {A: 7.88453, b: 3.437, Ea: 1.324} + note: |- + Reaction index: Chemkin #691; RMG #447 + Library reaction: primaryNitrogenLibrary + Flux pairs: HO2(10), O2(3); HNNO(70), NH2NO(73); +- equation: HNNO(70) + N2H2(17) <=> NNH(71) + NH2NO(73) # Reaction 692 + rate-constant: {A: 3.8865e-11, b: 6.786, Ea: -0.178} + note: |- + Reaction index: Chemkin #692; RMG #454 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNNO(70), NH2NO(73); N2H2(17), NNH(71); +- equation: HNNO(70) + NH2OH(94) <=> NH2O(93) + NH2NO(73) # Reaction 693 + rate-constant: {A: 1.91127e-12, b: 6.638, Ea: 5.782} + note: |- + Reaction index: Chemkin #693; RMG #458 + Library reaction: primaryNitrogenLibrary + Flux pairs: HNNO(70), NH2NO(73); NH2OH(94), NH2O(93); +- equation: HNOH(76) + NH2NO(73) <=> HNNO(70) + NH2OH(94) # Reaction 694 + rate-constant: {A: 1.01102e-10, b: 6.242, Ea: 3.646} + note: |- + Reaction index: Chemkin #694; RMG #459 + Library reaction: primaryNitrogenLibrary + Flux pairs: NH2NO(73), HNNO(70); HNOH(76), NH2OH(94); +- equation: HO2(10) + NNH(71) <=> OH(7) + HNNO(70) # Reaction 695 + rate-constant: {A: 2.4e+13, b: 0.0, Ea: 70.211} + note: |- + Reaction index: Chemkin #695; RMG #1638 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: HO2(10), HNNO(70); NNH(71), OH(7); +- equation: H(5) + NH2NO(73) <=> HNNO(70) + H2(4) # Reaction 696 + rate-constant: {A: 4.8e+08, b: 1.5, Ea: 7.407} + note: |- + Reaction index: Chemkin #696; RMG #1685 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: NH2NO(73), HNNO(70); H(5), H2(4); +- equation: O(8) + NH2NO(73) <=> OH(7) + HNNO(70) # Reaction 697 + rate-constant: {A: 3.3e+08, b: 1.5, Ea: 4.697} + note: |- + Reaction index: Chemkin #697; RMG #1686 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: NH2NO(73), HNNO(70); O(8), OH(7); +- equation: OH(7) + NH2NO(73) <=> HNNO(70) + H2O(9) # Reaction 698 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: -0.07} + note: |- + Reaction index: Chemkin #698; RMG #1687 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: NH2NO(73), HNNO(70); OH(7), H2O(9); +- equation: NH2(16) + NH2NO(73) <=> HNNO(70) + NH3(1) # Reaction 699 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 4.538} + note: |- + Reaction index: Chemkin #699; RMG #1689 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: NH2NO(73), HNNO(70); NH2(16), NH3(1); +- equation: HO2(10) + NH2NO(73) <=> HNNO(70) + H2O2(11) # Reaction 700 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: 12.62} + note: |- + Reaction index: Chemkin #700; RMG #1690 + Library reaction: Nitrogen_Dean_and_Bozzelli + Flux pairs: HO2(10), H2O2(11); NH2NO(73), HNNO(70); +- equation: N2O(59) + H(5) <=> HNNO(70) # Reaction 701 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.11, 0.9963, -0.1146, -5.216e-03] + - [0.73, 0.249, 0.04304, -3.543e-03] + - [-0.1487, 0.02418, 8.339e-03, 1.419e-03] + - [-0.03075, 8.863e-04, 7.049e-04, 2.32e-04] + - [-4.705e-03, -6.633e-04, -5.761e-05, 1.184e-05] + - [3.743e-05, -3.548e-04, -6.058e-05, -4.451e-06] + note: |- + Reaction index: Chemkin #701; RMG #5249 + PDep reaction: PDepNetwork #254 + Flux pairs: N2O(59), HNNO(70); H(5), HNNO(70); +- equation: HNNO(70) + NH2(16) <=> N2O(59) + NH3(1) # Reaction 702 + rate-constant: {A: 4.6e+05, b: 1.94, Ea: 0.0} + note: |- + Reaction index: Chemkin #702; RMG #2665 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); NH2(16), NH3(1); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_2N-u1 +- equation: H(5) + HNNO(70) <=> N2O(59) + H2(4) # Reaction 703 + rate-constant: {A: 2.4e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #703; RMG #2668 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); H(5), H2(4); + Estimated from node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_2NO->N +- equation: NH(37) + HNNO(70) <=> N2O(59) + NH2(16) # Reaction 704 + rate-constant: {A: 1.59386e+10, b: 0.994, Ea: 0.0} + note: |- + Reaction index: Chemkin #704; RMG #2671 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); NH(37), NH2(16); + Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS +- equation: O2(3) + HNNO(70) <=> N2O(59) + HO2(10) # Reaction 705 + rate-constant: {A: 1.446e+13, b: 0.0, Ea: 10.896} + note: |- + Reaction index: Chemkin #705; RMG #2677 + Template reaction: Disproportionation + Flux pairs: O2(3), HO2(10); HNNO(70), N2O(59); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS + Multiplied by reaction path degeneracy 2.0 +- equation: HO2(10) + HNNO(70) <=> N2O(59) + H2O2(11) # Reaction 706 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #706; RMG #2683 + Template reaction: Disproportionation + Flux pairs: HO2(10), H2O2(11); HNNO(70), N2O(59); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1 +- equation: HNNO(70) + N2H3(15) <=> N2O(59) + N2H4(22) # Reaction 707 + rate-constant: {A: 3.6333e+08, b: 1.265, Ea: 0.0} + note: |- + Reaction index: Chemkin #707; RMG #2686 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); N2H3(15), N2H4(22); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S +- equation: HNO(T)(117) + HNNO(70) <=> N2O(59) + NH2O(93) # Reaction 708 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #708; RMG #2689 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); HNO(T)(117), NH2O(93); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: O(8) + HNNO(70) <=> N2O(59) + OH(7) # Reaction 709 + rate-constant: {A: 1.7e+08, b: 1.5, Ea: 0.0} + note: |- + Reaction index: Chemkin #709; RMG #2698 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); O(8), OH(7); + Estimated from node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N +- equation: OH(7) + HNNO(70) <=> N2O(59) + H2O(9) # Reaction 710 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #710; RMG #2705 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); OH(7), H2O(9); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 +- equation: HNNO(70) + NO[O](227) <=> N2O(59) + NH2OOH(133) # Reaction 711 + rate-constant: {A: 2.9e+04, b: 2.69, Ea: 0.0} + note: |- + Reaction index: Chemkin #711; RMG #2708 + Template reaction: Disproportionation + Flux pairs: NO[O](227), NH2OOH(133); HNNO(70), N2O(59); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1 +- equation: NO(28) + HNNO(70) <=> N2O(59) + HNO(63) # Reaction 712 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 3.354} + note: |- + Reaction index: Chemkin #712; RMG #2714 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); NO(28), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: HNNO(70) + NH2O(93) <=> N2O(59) + NH2OH(94) # Reaction 713 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #713; RMG #2727 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); NH2O(93), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 +- equation: HNNO(70) + HNOH(76) <=> N2O(59) + NH2OH(94) # Reaction 714 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #714; RMG #2730 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); HNOH(76), NH2OH(94); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: HNO(T)(117) + HNNO(70) <=> N2O(59) + HNOH(76) # Reaction 715 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.102} + note: |- + Reaction index: Chemkin #715; RMG #2738 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); HNO(T)(117), HNOH(76); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 +- equation: N(27) + HNNO(70) <=> N2O(59) + NH(37) # Reaction 716 + rate-constant: {A: 9.31776e+07, b: 1.48, Ea: 0.0} + note: |- + Reaction index: Chemkin #716; RMG #2747 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); N(27), NH(37); + Estimated from node Root_N-4R->H +- equation: NNH(71) + HNNO(70) <=> N2O(59) + N2H2(17) # Reaction 717 + rate-constant: {A: 3.6333e+08, b: 1.265, Ea: 0.0} + note: |- + Reaction index: Chemkin #717; RMG #2752 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); NNH(71), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S +- equation: NNH(71) + HNNO(70) <=> N2O(59) + H2NN(S)(18) # Reaction 718 + rate-constant: {A: 3.6333e+08, b: 1.265, Ea: 3.124} + note: |- + Reaction index: Chemkin #718; RMG #2758 + Template reaction: Disproportionation + Flux pairs: HNNO(70), N2O(59); NNH(71), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S +- equation: N2O(59) + NH3(1) <=> HNNO(70) + NH2(16) # Reaction 719 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-13.64, -0.02832, -0.01649, -7.031e-03] + - [13.28, 0.03453, 0.01988, 8.285e-03] + - [0.1041, -7.346e-03, -4.01e-03, -1.486e-03] + - [0.02173, -1.033e-03, -6.854e-04, -3.612e-04] + - [3.829e-03, 3.687e-04, 2.029e-04, 7.595e-05] + - [6.436e-04, 1.288e-04, 8.184e-05, 4.055e-05] + note: |- + Reaction index: Chemkin #719; RMG #2773 + PDep reaction: PDepNetwork #238 + Flux pairs: N2O(59), HNNO(70); NH3(1), NH2(16); +- equation: NO(28) + N2H3(15) <=> HNNO(70) + NH2(16) # Reaction 720 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [6.676, -0.03529, -0.02045, -8.632e-03] + - [2.791, 0.04021, 0.02297, 9.425e-03] + - [-1.761e-04, -6.614e-03, -3.504e-03, -1.205e-03] + - [3.194e-03, -1.688e-03, -1.053e-03, -5.05e-04] + - [8.983e-04, 2.368e-04, 1.15e-04, 2.93e-05] + - [1.386e-04, 1.859e-04, 1.123e-04, 5.106e-05] + note: |- + Reaction index: Chemkin #720; RMG #3038 + PDep reaction: PDepNetwork #298 + Flux pairs: NO(28), HNNO(70); N2H3(15), NH2(16); +- equation: NO2(60) + HNNO(70) <=> N2O(59) + HONO(77) # Reaction 721 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #721; RMG #3118 + Template reaction: Disproportionation + Flux pairs: NO2(60), HONO(77); HNNO(70), N2O(59); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 + Multiplied by reaction path degeneracy 2.0 +- equation: N2(2) + HONO(77) <=> NO(28) + HNNO(70) # Reaction 722 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-17.46, -5.919e-04, -3.626e-04, -1.7e-04] + - [14.16, -2.294e-04, -1.405e-04, -6.579e-05] + - [0.1106, -2.247e-04, -1.376e-04, -6.445e-05] + - [0.01861, -5.434e-05, -3.326e-05, -1.556e-05] + - [0.01069, -8.542e-06, -5.217e-06, -2.432e-06] + - [-2.44e-03, 4.222e-06, 2.591e-06, 1.218e-06] + note: |- + Reaction index: Chemkin #722; RMG #3202 + PDep reaction: PDepNetwork #318 + Flux pairs: HONO(77), HNNO(70); N2(2), NO(28); +- equation: NNH(71) + HNNO(70) <=> N2(2) + NH2NO(73) # Reaction 723 + rate-constant: {A: 3.6333e+08, b: 1.265, Ea: 0.0} + note: |- + Reaction index: Chemkin #723; RMG #3400 + Template reaction: Disproportionation + Flux pairs: HNNO(70), NH2NO(73); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S +- equation: NO[O](227) + NH2NO(73) <=> HNNO(70) + NH2OOH(133) # Reaction 724 + rate-constant: {A: 5.8e+04, b: 2.69, Ea: 12.63} + note: |- + Reaction index: Chemkin #724; RMG #3415 + Template reaction: H_Abstraction + Flux pairs: NO[O](227), NH2OOH(133); NH2NO(73), HNNO(70); + From training reaction 723 used for N3s/H2/OneDeN;O_rad/NonDeO + Exact match found for rate rule [N3s/H2/OneDeN;O_rad/NonDeO] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNNO(70) + HNOH(76) <=> HNO(63) + NH2NO(73) # Reaction 725 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 2.447} + note: |- + Reaction index: Chemkin #725; RMG #3453 + Template reaction: Disproportionation + Flux pairs: HNNO(70), NH2NO(73); HNOH(76), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: HNNO(70) + NH2O(93) <=> HNO(63) + NH2NO(73) # Reaction 726 + rate-constant: {A: 7.383e+08, b: 1.263, Ea: 3.254} + note: |- + Reaction index: Chemkin #726; RMG #3454 + Template reaction: Disproportionation + Flux pairs: HNNO(70), NH2NO(73); NH2O(93), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS + Multiplied by reaction path degeneracy 2.0 +- equation: HNNO(70) + N2H3(15) <=> N2H2(17) + NH2NO(73) # Reaction 727 + rate-constant: {A: 7.2666e+08, b: 1.265, Ea: 0.131} + note: |- + Reaction index: Chemkin #727; RMG #3497 + Template reaction: Disproportionation + Flux pairs: HNNO(70), NH2NO(73); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S + Multiplied by reaction path degeneracy 2.0 +- equation: HNNO(70) + H2NN(S)(18) <=> NNH(71) + NH2NO(73) # Reaction 728 + rate-constant: {A: 1.84e+06, b: 1.94, Ea: 0.87} + note: |- + Reaction index: Chemkin #728; RMG #3504 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); HNNO(70), NH2NO(73); + Estimated using template [N5dc_H;N3s_rad] for rate rule [N5dc_H;N3s_rad_pri] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNNO(70) + N2H3(15) <=> H2NN(S)(18) + NH2NO(73) # Reaction 729 + rate-constant: {A: 3.6333e+08, b: 1.265, Ea: 4.426} + note: |- + Reaction index: Chemkin #729; RMG #3508 + Template reaction: Disproportionation + Flux pairs: HNNO(70), NH2NO(73); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S +- equation: HNNO(70) + HNNO(70) <=> N2O(59) + NH2NO(73) # Reaction 730 + rate-constant: {A: 7.2666e+08, b: 1.265, Ea: 0.0} + note: |- + Reaction index: Chemkin #730; RMG #3512 + Template reaction: Disproportionation + Flux pairs: HNNO(70), NH2NO(73); HNNO(70), N2O(59); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S + Multiplied by reaction path degeneracy 2.0 +- equation: HNNO(70) + O[N]O(449) <=> HONO(77) + NH2NO(73) # Reaction 731 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 0.0} + note: |- + Reaction index: Chemkin #731; RMG #3527 + Template reaction: Disproportionation + Flux pairs: O[N]O(449), HONO(77); HNNO(70), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: HNNO(70) + HONHO(221) <=> HONO(77) + NH2NO(73) # Reaction 732 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.0} + note: |- + Reaction index: Chemkin #732; RMG #3528 + Template reaction: Disproportionation + Flux pairs: HONHO(221), HONO(77); HNNO(70), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: HNNO(70) + N[N]O(355) <=> NH2NO(73) + NH2NO(73) # Reaction 733 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.192} + note: |- + Reaction index: Chemkin #733; RMG #3530 + Template reaction: Disproportionation + Flux pairs: HNNO(70), NH2NO(73); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: HNNO(70) + N2H3O(81) <=> NH2NO(73) + NH2NO(73) # Reaction 734 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.0} + note: |- + Reaction index: Chemkin #734; RMG #3531 + Template reaction: Disproportionation + Flux pairs: N2H3O(81), NH2NO(73); HNNO(70), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: H(5) + HNNO(70) <=> NH2NO(73) # Reaction 735 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.16, 1.323, -0.08899, -0.02748] + - [-0.5787, 0.1445, 0.0662, 0.01529] + - [-0.1565, 5.096e-04, 3.658e-03, 3.669e-03] + - [-0.03064, -5.318e-03, -2.45e-03, -4.701e-04] + - [-4.305e-03, -1.2e-03, -7.577e-04, -3.507e-04] + - [-1.986e-03, 7.136e-04, 2.501e-04, -1.571e-05] + note: |- + Reaction index: Chemkin #735; RMG #5974 + PDep reaction: PDepNetwork #610 + Flux pairs: H(5), NH2NO(73); HNNO(70), NH2NO(73); +- equation: NO2(60) + HNNO(70) <=> N2O(59) + HNO2(74) # Reaction 736 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.206} + note: |- + Reaction index: Chemkin #736; RMG #3726 + Template reaction: Disproportionation + Flux pairs: NO2(60), HNO2(74); HNNO(70), N2O(59); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: HNNO(70) + HONHO(221) <=> HNO2(74) + NH2NO(73) # Reaction 737 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.352} + note: |- + Reaction index: Chemkin #737; RMG #3744 + Template reaction: Disproportionation + Flux pairs: HNNO(70), HNO2(74); HONHO(221), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NO3(79) + HNNO(70) <=> N2O(59) + HNO3(80) # Reaction 738 + rate-constant: {A: 3.6e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #738; RMG #3786 + Template reaction: Disproportionation + Flux pairs: NO3(79), HNO3(80); HNNO(70), N2O(59); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 + Multiplied by reaction path degeneracy 3.0 +- equation: NO(28) + HNO(T)(117) <=> O(8) + HNNO(70) # Reaction 739 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-1.016, -1.254e-04, -7.682e-05, -3.601e-05] + - [6.778, -2.325e-04, -1.424e-04, -6.677e-05] + - [0.07481, -1.883e-04, -1.154e-04, -5.407e-05] + - [0.01444, -1.36e-04, -8.334e-05, -3.906e-05] + - [1.934e-03, -8.915e-05, -5.46e-05, -2.558e-05] + - [-7.878e-05, -5.341e-05, -3.271e-05, -1.532e-05] + note: |- + Reaction index: Chemkin #739; RMG #4916 + PDep reaction: PDepNetwork #484 + Flux pairs: HNO(T)(117), HNNO(70); NO(28), O(8); +- equation: NO3(79) + NH2NO(73) <=> HNO3(80) + HNNO(70) # Reaction 740 + rate-constant: {A: 1.74e+05, b: 2.69, Ea: 12.63} + note: |- + Reaction index: Chemkin #740; RMG #5184 + Template reaction: H_Abstraction + Flux pairs: NO3(79), HNO3(80); NH2NO(73), HNNO(70); + Estimated using template [N3s/H2/OneDeN;O_sec_rad] for rate rule [N3s/H2/OneDeN;O_rad/OneDeN] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 6.0 + family: H_Abstraction +- equation: N2O(59) + H(5) <=> HNNO(70) # Reaction 741 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.11, 0.9957, -0.1141, -5.316e-03] + - [0.7304, 0.2491, 0.04277, -3.475e-03] + - [-0.1487, 0.02429, 8.322e-03, 1.417e-03] + - [-0.03077, 8.999e-04, 7.096e-04, 2.321e-04] + - [-4.704e-03, -6.658e-04, -5.751e-05, 1.182e-05] + - [4.036e-05, -3.556e-04, -6.089e-05, -4.603e-06] + note: |- + Reaction index: Chemkin #741; RMG #5285 + PDep reaction: PDepNetwork #252 + Flux pairs: N2O(59), HNNO(70); H(5), HNNO(70); +- equation: N2O(59) + H(5) <=> HNNO(70) # Reaction 742 + duplicate: true + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-0.2696, -5.169e-03, -3.151e-03, -1.463e-03] + - [7.033, -4.519e-03, -2.745e-03, -1.267e-03] + - [-0.02953, -6.18e-04, -3.699e-04, -1.661e-04] + - [-0.01775, 4.258e-04, 2.615e-04, 1.231e-04] + - [-6.994e-03, 2.259e-04, 1.375e-04, 6.369e-05] + - [-2.162e-03, -4.157e-05, -2.55e-05, -1.198e-05] + note: |- + Reaction index: Chemkin #742; RMG #5292 + PDep reaction: PDepNetwork #253 + Flux pairs: N2O(59), HNNO(70); H(5), HNNO(70); +- equation: NO2(60) + NH(37) <=> O(8) + HNNO(70) # Reaction 743 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [7.215, -4.695e-03, -2.863e-03, -1.331e-03] + - [2.69, 4.31e-03, 2.623e-03, 1.215e-03] + - [0.06981, -4.713e-04, -2.833e-04, -1.283e-04] + - [0.01516, -9.804e-05, -6.048e-05, -2.87e-05] + - [2.953e-03, -1.831e-05, -1.128e-05, -5.338e-06] + - [5.406e-04, -9.752e-07, -6.102e-07, -2.967e-07] + note: |- + Reaction index: Chemkin #743; RMG #5459 + PDep reaction: PDepNetwork #155 + Flux pairs: NO2(60), HNNO(70); NH(37), O(8); +- equation: OH(7) + HNNO(70) <=> NO(28) + HNOH(76) # Reaction 744 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.68, -0.5031, -0.1814, -0.01881] + - [-0.08954, 0.2233, 0.05763, -9.168e-03] + - [-0.1126, 0.03233, 0.0174, 4.071e-03] + - [-0.05042, -5.172e-03, 1.134e-03, 2.108e-03] + - [-0.01403, -3.526e-03, -1.17e-03, 9.624e-05] + - [-2.069e-03, -6.759e-05, -3.573e-04, -2.516e-04] + note: |- + Reaction index: Chemkin #744; RMG #6163 + PDep reaction: PDepNetwork #598 + Flux pairs: HNNO(70), HNOH(76); OH(7), NO(28); +- equation: HNNO(70) + NH2O(93) <=> HNO(T)(117) + NH2NO(73) # Reaction 745 + rate-constant: {A: 0.231, b: 3.93, Ea: 16.754} + note: |- + Reaction index: Chemkin #745; RMG #5653 + Template reaction: H_Abstraction + Flux pairs: HNNO(70), NH2NO(73); NH2O(93), HNO(T)(117); + Estimated using template [Xrad_H;N3s_rad_pri] for rate rule [N5sc_radH;N3s_rad_pri] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNNO(70) + NH3(1) <=> NH(37) + N2H3O(81) # Reaction 746 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-9.401, -1.47e-03, -8.998e-04, -4.211e-04] + - [12.6, 6.758e-04, 4.134e-04, 1.933e-04] + - [-0.01836, 3.64e-04, 2.226e-04, 1.04e-04] + - [-0.01028, -1.226e-04, -7.484e-05, -3.488e-05] + - [-3.359e-03, -6.72e-06, -4.103e-06, -1.912e-06] + - [-7.9e-04, 3.56e-05, 2.174e-05, 1.013e-05] + note: |- + Reaction index: Chemkin #746; RMG #5985 + PDep reaction: PDepNetwork #571 + Flux pairs: HNNO(70), N2H3O(81); NH3(1), NH(37); +- equation: H(5) + [NH]OO(236) <=> NH2OOH(133) # Reaction 747 + rate-constant: {A: 7.27792e+12, b: 0.315, Ea: 0.0} + note: |- + Reaction index: Chemkin #747; RMG #1823 + Template reaction: R_Recombination + Flux pairs: [NH]OO(236), NH2OOH(133); H(5), NH2OOH(133); + Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO +- equation: NNH(71) + [NH]OO(236) <=> N2(2) + NH2OOH(133) # Reaction 748 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #748; RMG #1863 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); NNH(71), N2(2); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: HO2(10) + [NH]OO(236) <=> O2(3) + NH2OOH(133) # Reaction 749 + rate-constant: {A: 4.479746e+07, b: 1.503, Ea: 6.347} + note: |- + Reaction index: Chemkin #749; RMG #1864 + Template reaction: H_Abstraction + Flux pairs: HO2(10), O2(3); [NH]OO(236), NH2OOH(133); + Estimated using template [X_H;N3s_rad] for rate rule [Orad_O_H;N3s_rad_pri] + Euclidian distance = 2.23606797749979 + family: H_Abstraction +- equation: NH2(16) + NH2OOH(133) <=> [NH]OO(236) + NH3(1) # Reaction 750 + rate-constant: {A: 6.827884e+04, b: 2.385, Ea: 3.92} + note: |- + Reaction index: Chemkin #750; RMG #1865 + Template reaction: H_Abstraction + Flux pairs: NH2(16), NH3(1); NH2OOH(133), [NH]OO(236); + Estimated using template [N3s/H2/NonDe;NH2_rad] for rate rule [N3s/H2/NonDeO;NH2_rad] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HO2(10) + NH2OOH(133) <=> H2O2(11) + [NH]OO(236) # Reaction 751 + rate-constant: {A: 5.8e+04, b: 2.69, Ea: 9.56} + note: |- + Reaction index: Chemkin #751; RMG #1866 + Template reaction: H_Abstraction + Flux pairs: HO2(10), H2O2(11); NH2OOH(133), [NH]OO(236); + From training reaction 711 used for N3s/H2/NonDeO;O_rad/NonDeO + Exact match found for rate rule [N3s/H2/NonDeO;O_rad/NonDeO] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: NO[O](227) + NH2OOH(133) <=> [NH]OO(236) + NH2OOH(133) # Reaction 752 + rate-constant: {A: 5.8e+04, b: 2.69, Ea: 9.56} + note: |- + Reaction index: Chemkin #752; RMG #1867 + Template reaction: H_Abstraction + Flux pairs: NO[O](227), NH2OOH(133); NH2OOH(133), [NH]OO(236); + From training reaction 711 used for N3s/H2/NonDeO;O_rad/NonDeO + Exact match found for rate rule [N3s/H2/NonDeO;O_rad/NonDeO] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: '[NH]OO(236) + NH2OH(94) <=> NH2O(93) + NH2OOH(133)' # Reaction 753 + rate-constant: {A: 9.2e+05, b: 1.94, Ea: 2.785} + note: |- + Reaction index: Chemkin #753; RMG #1869 + Template reaction: H_Abstraction + Flux pairs: NH2OH(94), NH2O(93); [NH]OO(236), NH2OOH(133); + Estimated using template [O_sec;N3s_rad] for rate rule [O/H/NonDeN;N3s_rad_pri] + Euclidian distance = 1.4142135623730951 + family: H_Abstraction +- equation: OH(7) + NH2OOH(133) <=> H2O(9) + [NH]OO(236) # Reaction 754 + rate-constant: {A: 5.276362e+05, b: 2.345, Ea: 14.091} + note: |- + Reaction index: Chemkin #754; RMG #1872 + Template reaction: H_Abstraction + Flux pairs: OH(7), H2O(9); NH2OOH(133), [NH]OO(236); + Estimated using average of templates [N3s/H2/NonDe;O_pri_rad] + [N3s/H2/NonDeO;O_rad] for rate rule [N3s/H2/NonDeO;O_pri_rad] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: OH(7) + HNO(63) <=> [NH]OO(236) # Reaction 755 + rate-constant: {A: 1.169966e+07, b: 2.021, Ea: 7.142} + note: |- + Reaction index: Chemkin #755; RMG #1892 + Template reaction: R_Addition_MultipleBond + Flux pairs: OH(7), [NH]OO(236); HNO(63), [NH]OO(236); + Estimated using template [Od_R;YJ] for rate rule [Od_N3d;OJ_pri] + Euclidian distance = 2.8284271247461903 + family: R_Addition_MultipleBond +- equation: HNOH(76) + [NH]OO(236) <=> HNO(63) + NH2OOH(133) # Reaction 756 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 1.764} + note: |- + Reaction index: Chemkin #756; RMG #1895 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); HNOH(76), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: NH2O(93) + [NH]OO(236) <=> HNO(63) + NH2OOH(133) # Reaction 757 + rate-constant: {A: 7.383e+08, b: 1.263, Ea: 2.406} + note: |- + Reaction index: Chemkin #757; RMG #1896 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); NH2O(93), HNO(63); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS + Multiplied by reaction path degeneracy 2.0 +- equation: H(5) + NH2OOH(133) <=> H2(4) + [NH]OO(236) # Reaction 758 + rate-constant: {A: 9.6e+08, b: 1.5, Ea: 6.25} + note: |- + Reaction index: Chemkin #758; RMG #1950 + Template reaction: H_Abstraction + Flux pairs: H(5), H2(4); NH2OOH(133), [NH]OO(236); + From training reaction 706 used for N3s/H2/NonDeO;H_rad + Exact match found for rate rule [N3s/H2/NonDeO;H_rad] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNO(63) + [NH]OO(236) <=> NO(28) + NH2OOH(133) # Reaction 759 + rate-constant: {A: 9.2e+05, b: 1.94, Ea: -1.15} + note: |- + Reaction index: Chemkin #759; RMG #1979 + Template reaction: H_Abstraction + Flux pairs: HNO(63), NO(28); [NH]OO(236), NH2OOH(133); + Estimated using template [N3d/H/NonDeO;N3s_rad] for rate rule [N3d/H/NonDeO;N3s_rad_pri] + Euclidian distance = 1.0 + family: H_Abstraction +- equation: O(8) + NH2OOH(133) <=> OH(7) + [NH]OO(236) # Reaction 760 + rate-constant: {A: 6.6e+08, b: 1.5, Ea: 12.323} + note: |- + Reaction index: Chemkin #760; RMG #1993 + Template reaction: H_Abstraction + Flux pairs: O(8), OH(7); NH2OOH(133), [NH]OO(236); + From training reaction 707 used for N3s/H2/NonDeO;O_atom_triplet + Exact match found for rate rule [N3s/H2/NonDeO;O_atom_triplet] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: '[NH]OO(236) <=> NO[O](227)' # Reaction 761 + rate-constant: {A: 4.081326e+04, b: 2.171, Ea: 32.307} + note: |- + Reaction index: Chemkin #761; RMG #1996 + Template reaction: intra_H_migration + Flux pairs: [NH]OO(236), NO[O](227); + Estimated using average of templates [R3H_SS;Y_rad_out;O_H_out] + [R3H_SS_O;Y_rad_out;XH_out] for rate rule [R3H_SS_O;Y_rad_out;O_H_out] + Euclidian distance = 1.0 + family: intra_H_migration +- equation: HONO(77) + [NH]OO(236) <=> NO2(60) + NH2OOH(133) # Reaction 762 + rate-constant: {A: 9.2e+05, b: 1.94, Ea: 1.92} + note: |- + Reaction index: Chemkin #762; RMG #2043 + Template reaction: H_Abstraction + Flux pairs: HONO(77), NO2(60); [NH]OO(236), NH2OOH(133); + Estimated using template [O/H/OneDeN;N3s_rad] for rate rule [O/H/OneDeN;N3s_rad_pri] + Euclidian distance = 1.0 + family: H_Abstraction +- equation: HNO2(74) + [NH]OO(236) <=> NO2(60) + NH2OOH(133) # Reaction 763 + rate-constant: {A: 9.2e+05, b: 1.94, Ea: 0.87} + note: |- + Reaction index: Chemkin #763; RMG #2045 + Template reaction: H_Abstraction + Flux pairs: HNO2(74), NO2(60); [NH]OO(236), NH2OOH(133); + Estimated using template [N5dc_H;N3s_rad] for rate rule [N5dc_H;N3s_rad_pri] + Euclidian distance = 1.0 + family: H_Abstraction +- equation: '[NH]OO(236) + NH2OH(94) <=> HNOH(76) + NH2OOH(133)' # Reaction 764 + rate-constant: {A: 6.827884e+04, b: 2.385, Ea: 3.92} + note: |- + Reaction index: Chemkin #764; RMG #2208 + Template reaction: H_Abstraction + Flux pairs: NH2OH(94), HNOH(76); [NH]OO(236), NH2OOH(133); + Estimated using template [N3s/H2/NonDe;N3s_rad] for rate rule [N3s/H2/NonDeO;N3s_rad_pri] + Euclidian distance = 1.4142135623730951 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HO2(10) + NH(37) <=> [NH]OO(236) # Reaction 765 + rate-constant: {A: 1.355705e+09, b: 1.408, Ea: 0.0} + note: |- + Reaction index: Chemkin #765; RMG #2246 + Template reaction: Birad_R_Recombination + Flux pairs: NH(37), [NH]OO(236); HO2(10), [NH]OO(236); + Estimated using template [O_rad/NonDe;Birad] for rate rule [O_rad/NonDe;N_birad/H] + Euclidian distance = 2.0 + family: Birad_R_Recombination + Ea raised from -12.0 to 0 kJ/mol. +- equation: NH2(16) + [NH]OO(236) <=> NH(37) + NH2OOH(133) # Reaction 766 + rate-constant: {A: 0.231, b: 3.93, Ea: 16.754} + note: |- + Reaction index: Chemkin #766; RMG #2253 + Template reaction: H_Abstraction + Flux pairs: NH2(16), NH(37); [NH]OO(236), NH2OOH(133); + From training reaction 3080 used for NH2_rad_H;N3s_rad_pri + Exact match found for rate rule [NH2_rad_H;N3s_rad_pri] + Euclidian distance = 0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: '[NH]OO(236) + N2H3(15) <=> N2H2(17) + NH2OOH(133)' # Reaction 767 + rate-constant: {A: 2.4e+06, b: 2.0, Ea: 0.815} + note: |- + Reaction index: Chemkin #767; RMG #2284 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); N2H3(15), N2H2(17); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C + Multiplied by reaction path degeneracy 2.0 +- equation: '[NH]OO(236) + N2H2(17) <=> NNH(71) + NH2OOH(133)' # Reaction 768 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: -1.15} + note: |- + Reaction index: Chemkin #768; RMG #2485 + Template reaction: H_Abstraction + Flux pairs: N2H2(17), NNH(71); [NH]OO(236), NH2OOH(133); + Estimated using template [N3d/H/NonDeN;N3s_rad] for rate rule [N3d/H/NonDeN;N3s_rad_pri] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: '[NH]OO(236) + H2NN(S)(18) <=> NNH(71) + NH2OOH(133)' # Reaction 769 + rate-constant: {A: 1.84e+06, b: 1.94, Ea: 0.87} + note: |- + Reaction index: Chemkin #769; RMG #2489 + Template reaction: H_Abstraction + Flux pairs: H2NN(S)(18), NNH(71); [NH]OO(236), NH2OOH(133); + Estimated using template [N5dc_H;N3s_rad] for rate rule [N5dc_H;N3s_rad_pri] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: '[NH]OO(236) + N2H3(15) <=> H2NN(S)(18) + NH2OOH(133)' # Reaction 770 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 5.955} + note: |- + Reaction index: Chemkin #770; RMG #2616 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); N2H3(15), H2NN(S)(18); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: HNNO(70) + [NH]OO(236) <=> N2O(59) + NH2OOH(133) # Reaction 771 + rate-constant: {A: 1.2e+06, b: 2.0, Ea: 0.0} + note: |- + Reaction index: Chemkin #771; RMG #2711 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); HNNO(70), N2O(59); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +- equation: '[NH]OO(236) + N2H4(22) <=> NH2OOH(133) + N2H3(15)' # Reaction 772 + rate-constant: {A: 2590.0, b: 2.83, Ea: 0.7} + note: |- + Reaction index: Chemkin #772; RMG #2924 + Template reaction: H_Abstraction + Flux pairs: N2H4(22), N2H3(15); [NH]OO(236), NH2OOH(133); + Estimated using template [N3s/H2/NonDeN;N3s_rad] for rate rule [N3s/H2/NonDeN;N3s_rad_pri] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 4.0 + family: H_Abstraction +- equation: O[N]O(449) + [NH]OO(236) <=> HONO(77) + NH2OOH(133) # Reaction 773 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 0.0} + note: |- + Reaction index: Chemkin #773; RMG #3074 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); O[N]O(449), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + Multiplied by reaction path degeneracy 2.0 +- equation: HONHO(221) + [NH]OO(236) <=> HONO(77) + NH2OOH(133) # Reaction 774 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.0} + note: |- + Reaction index: Chemkin #774; RMG #3075 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); HONHO(221), HONO(77); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: '[NH]OO(236) + N[N]O(355) <=> NH2NO(73) + NH2OOH(133)' # Reaction 775 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.0} + note: |- + Reaction index: Chemkin #775; RMG #3443 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); N[N]O(355), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: '[NH]OO(236) + N2H3O(81) <=> NH2NO(73) + NH2OOH(133)' # Reaction 776 + rate-constant: {A: 3.6915e+08, b: 1.263, Ea: 0.0} + note: |- + Reaction index: Chemkin #776; RMG #3444 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); N2H3O(81), NH2NO(73); + Estimated from node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS +- equation: HONHO(221) + [NH]OO(236) <=> HNO2(74) + NH2OOH(133) # Reaction 777 + rate-constant: {A: 1.8e+06, b: 1.94, Ea: 0.141} + note: |- + Reaction index: Chemkin #777; RMG #3688 + Template reaction: Disproportionation + Flux pairs: [NH]OO(236), NH2OOH(133); HONHO(221), HNO2(74); + Estimated from node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +- equation: '[NH]OO(236) <=> HONHO(221)' # Reaction 778 + rate-constant: {A: 4.729062e+10, b: 0.0, Ea: 22.631} + note: |- + Reaction index: Chemkin #778; RMG #3867 + Template reaction: intra_OH_migration + Flux pairs: [NH]OO(236), HONHO(221); + Estimated using template [RnOOH;Y_rad_out] for rate rule [ROOH;Y_rad_out] + Euclidian distance = 1.0 + family: intra_OH_migration +- equation: OH(7) + HNO(T)(117) <=> [NH]OO(236) # Reaction 779 + rate-constant: {A: 6.74236e+12, b: 0.142, Ea: 0.0} + note: |- + Reaction index: Chemkin #779; RMG #4832 + Template reaction: R_Recombination + Flux pairs: HNO(T)(117), [NH]OO(236); OH(7), [NH]OO(236); + Estimated from node Root_N-1R->H_1CNOS->N_Ext-1N-R +- equation: NO3(79) + NH2OOH(133) <=> HNO3(80) + [NH]OO(236) # Reaction 780 + rate-constant: {A: 1.74e+05, b: 2.69, Ea: 9.56} + note: |- + Reaction index: Chemkin #780; RMG #5175 + Template reaction: H_Abstraction + Flux pairs: NO3(79), HNO3(80); NH2OOH(133), [NH]OO(236); + Estimated using template [N3s/H2/NonDeO;O_sec_rad] for rate rule [N3s/H2/NonDeO;O_rad/OneDeN] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 6.0 + family: H_Abstraction +- equation: NH(37) + [NH]OO(236) <=> N(27) + NH2OOH(133) # Reaction 781 + rate-constant: {A: 9.2e+05, b: 1.94, Ea: 24.191} + note: |- + Reaction index: Chemkin #781; RMG #5297 + Template reaction: H_Abstraction + Flux pairs: NH(37), N(27); [NH]OO(236), NH2OOH(133); + Estimated using template [NH_triplet_H;N3s_rad] for rate rule [NH_triplet_H;N3s_rad_pri] + Euclidian distance = 1.0 + family: H_Abstraction +- equation: '[NH]OO(236) + NH2NO(73) <=> HNNO(70) + NH2OOH(133)' # Reaction 782 + rate-constant: {A: 3.6e+06, b: 1.94, Ea: 4.54} + note: |- + Reaction index: Chemkin #782; RMG #5681 + Template reaction: H_Abstraction + Flux pairs: NH2NO(73), HNNO(70); [NH]OO(236), NH2OOH(133); + Estimated using template [N3s/H2/OneDeN;N3_rad] for rate rule [N3s/H2/OneDeN;N3s_rad_pri] + Euclidian distance = 2.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: NH2O(93) + [NH]OO(236) <=> HNO(T)(117) + NH2OOH(133) # Reaction 783 + rate-constant: {A: 0.231, b: 3.93, Ea: 16.754} + note: |- + Reaction index: Chemkin #783; RMG #6010 + Template reaction: H_Abstraction + Flux pairs: [NH]OO(236), NH2OOH(133); NH2O(93), HNO(T)(117); + Estimated using template [Xrad_H;N3s_rad_pri] for rate rule [N5sc_radH;N3s_rad_pri] + Euclidian distance = 1.0 + Multiplied by reaction path degeneracy 2.0 + family: H_Abstraction +- equation: HNO(63) + HNO(63) <=> H2N2O2(289) # Reaction 784 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [1.62, 1.197, -0.1411, -0.03595] + - [2.153, 0.1678, 0.0643, 5.913e-03] + - [-0.1245, 9.104e-03, 8.347e-03, 4.732e-03] + - [-0.01366, -7.245e-03, -2.071e-03, 6.366e-04] + - [5.22e-03, -2.196e-03, -1.181e-03, -3.424e-04] + - [2.006e-03, 2.462e-04, -5.556e-05, -1.546e-04] + note: |- + Reaction index: Chemkin #784; RMG #2098 + PDep reaction: PDepNetwork #85 + Flux pairs: HNO(63), H2N2O2(289); HNO(63), H2N2O2(289); +- equation: NO(28) + HNOH(76) <=> H2N2O2(289) # Reaction 785 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [10.96, 0.335, -0.1092, 0.01326] + - [-0.4916, 0.2551, -0.05167, -6.984e-03] + - [-0.09409, 0.04741, -6.854e-07, -3.444e-03] + - [-0.01312, -2.722e-03, 3.381e-03, 4.53e-04] + - [2.809e-04, -5.264e-03, 9.058e-04, 7.357e-04] + - [4.944e-04, -1.688e-03, -2.471e-05, 2.617e-04] + note: |- + Reaction index: Chemkin #785; RMG #5490 + PDep reaction: PDepNetwork #142 + Flux pairs: NO(28), H2N2O2(289); HNOH(76), H2N2O2(289); +- equation: HNO(63) + HNO(63) <=> OH(7) + HNNO(70) # Reaction 786 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [2.355, -0.2639, -0.1249, -0.03332] + - [2.958, 0.1797, 0.07341, 0.01051] + - [-0.05827, 9.08e-03, 8.909e-03, 5.484e-03] + - [-0.02224, -7.642e-03, -2.615e-03, 2.673e-04] + - [-1.288e-03, -2.164e-03, -1.34e-03, -5.443e-04] + - [1.151e-03, 3.145e-04, -2.987e-05, -1.656e-04] + note: |- + Reaction index: Chemkin #786; RMG #6156 + PDep reaction: PDepNetwork #85 + Flux pairs: HNO(63), HNNO(70); HNO(63), OH(7); +- equation: HNO(63) + HNO(63) <=> NO(28) + HNOH(76) # Reaction 787 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [2.219, -0.2906, -0.136, -0.03515] + - [2.254, 0.1723, 0.06746, 7.378e-03] + - [-0.1637, 9.464e-03, 8.72e-03, 5.031e-03] + - [-0.04812, -7.196e-03, -2.154e-03, 5.508e-04] + - [-8.53e-03, -2.129e-03, -1.206e-03, -4.003e-04] + - [-7.198e-04, 2.849e-04, -4.178e-05, -1.588e-04] + note: |- + Reaction index: Chemkin #787; RMG #6157 + PDep reaction: PDepNetwork #85 + Flux pairs: HNO(63), HNOH(76); HNO(63), NO(28); +- equation: OH(7) + HNNO(70) <=> H2N2O2(289) # Reaction 788 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [12.41, 0.9526, -0.1916, -0.01643] + - [-0.2884, 0.1938, 0.04662, -9.933e-03] + - [-0.08869, 0.02858, 0.01539, 3.236e-03] + - [-0.0155, -4.62e-03, 1.746e-03, 2.179e-03] + - [-1.192e-04, -3.302e-03, -7.005e-04, 3.255e-04] + - [4.357e-04, -8.926e-05, -2.58e-04, -1.712e-04] + note: |- + Reaction index: Chemkin #788; RMG #6162 + PDep reaction: PDepNetwork #598 + Flux pairs: OH(7), H2N2O2(289); HNNO(70), H2N2O2(289); +- equation: H2N2O2(289) + NH3(1) <=> HNOH(76) + N2H3O(81) # Reaction 789 + type: Chebyshev + temperature-range: [500.0, 1600.0] + pressure-range: [0.099 atm, 98.692 atm] + data: + - [-6.254, -0.01965, -0.01159, -5.066e-03] + - [9.841, 0.01036, 5.961e-03, 2.481e-03] + - [0.02388, -4.409e-03, -2.522e-03, -1.038e-03] + - [-0.02952, -3.394e-04, -2.066e-04, -9.541e-05] + - [-0.01687, 4.086e-04, 2.43e-04, 1.079e-04] + - [-5.138e-03, 1.788e-04, 1.099e-04, 5.165e-05] + note: |- + Reaction index: Chemkin #789; RMG #6466 + PDep reaction: PDepNetwork #640 + Flux pairs: H2N2O2(289), N2H3O(81); NH3(1), HNOH(76); diff --git a/tests/test_fix_cantera.py b/tests/test_fix_cantera.py new file mode 100644 index 00000000..3901090b --- /dev/null +++ b/tests/test_fix_cantera.py @@ -0,0 +1,172 @@ +#!/usr/bin/env python3 +# encoding: utf-8 + +""" +t3 tests test_flux module +""" + +import os +import shutil + +from t3.common import DATA_BASE_PATH, SCRATCH_BASE_PATH +from tests.common import copy_model +import t3.utils.fix_cantera as fix + + +def test_fix_cantera_1(): + """Test fixing a Cantera file, case 1.""" + model_path = os.path.join(DATA_BASE_PATH, 'models', 'dups', '1_test_fix_cantera.yaml') + shutil.copyfile(os.path.join(DATA_BASE_PATH, 'models', 'dups', '1.yaml'), model_path) + done = fix.fix_cantera(model_path) + assert done is True + os.remove(model_path) + os.remove(model_path + '.bak') + + +def test_fix_cantera_2(): + """Test fixing a Cantera file, case 2.""" + model_path = os.path.join(DATA_BASE_PATH, 'models', 'dups', '2_test_fix_cantera.yaml') + shutil.copyfile(os.path.join(DATA_BASE_PATH, 'models', 'dups', '2.yaml'), model_path) + done = fix.fix_cantera(model_path) + assert done is True + os.remove(model_path) + os.remove(model_path + '.bak') + + +def test_fix_cantera_NH3(): + """Test fixing a Cantera file, NH3 case.""" + model_path = os.path.join(DATA_BASE_PATH, 'models', 'dups', 'NH3_test_fix_cantera.yaml') + shutil.copyfile(os.path.join(DATA_BASE_PATH, 'models', 'dups', 'NH3.yaml'), model_path) + done = fix.fix_cantera(model_path) + assert done is True + os.remove(model_path) + os.remove(model_path + '.bak') + + +def test_fix_undeclared_duplicate_reactions(): + """Test fixing undeclared duplicate reactions.""" + model_path_1 = os.path.join(DATA_BASE_PATH, 'models', 'dups', '1_test_fix_undeclared_duplicate_reactions.yaml') + shutil.copyfile(os.path.join(DATA_BASE_PATH, 'models', 'dups', '1.yaml'), model_path_1) + tb_1 = fix.get_traceback(model_path_1) + model_path_2 = copy_model(os.path.join(DATA_BASE_PATH, 'models', 'dups', '1.yaml')) + fix.fix_undeclared_duplicate_reactions(model_path_2, tb_1) + tb = fix.get_traceback(model_path_2) + assert tb is None + os.remove(model_path_1) + os.remove(model_path_2) + + +def test_get_traceback(): + """Test getting a traceback.""" + model_path = os.path.join(DATA_BASE_PATH, 'models', 'HOCHO.yaml') + tb = fix.get_traceback(model_path) + assert tb is None + + model_path = copy_model(os.path.join(DATA_BASE_PATH, 'models', 'dups', '1.yaml'), name='C') + shutil.copyfile(os.path.join(DATA_BASE_PATH, 'models', 'dups', '1.yaml'), model_path) + tb = fix.get_traceback(model_path) + line_num = tb[93:95] + assert tb == f"""Traceback (most recent call last): + File "/home/alon/Code/T3/t3/utils/fix_cantera.py", line {line_num}, in get_traceback + ct.Solution(model_path) + File "build/python/cantera/base.pyx", line 71, in cantera._cantera._SolutionBase.__cinit__ + File "build/python/cantera/base.pyx", line 128, in cantera._cantera._SolutionBase._cinit + File "build/python/cantera/base.pyx", line 215, in cantera._cantera._SolutionBase._init_yaml +cantera._cantera.CanteraError: +******************************************************************************* +InputFileError thrown by Kinetics::checkDuplicates: +Error on lines 72 and 87 of /home/alon/Code/T3/tests/data/models/dups/temp_C_1.yaml: +Undeclared duplicate reactions detected: +Reaction 2: 2 HNO(63) <=> 2 HNO(T)(117) +Reaction 1: HNO(T)(117) <=> HNO(63) + +| Line | +| 67 | note: Epsilon & sigma estimated with Tc=544.31 K, Pc=43.8 bar (from +| 68 | Joback method) +| 69 | note: HNO(T)(117) +| 70 | +| 71 | reactions: +> 72 > - equation: HNO(63) + HNO(63) <=> HNO(T)(117) + HNO(T)(117) # Reaction 515 + ^ +| 73 | type: Chebyshev +| 74 | temperature-range: [500.0, 1600.0] +| 75 | pressure-range: [0.099 atm, 98.692 atm] +... +| 82 | - [8.737e-04, -2.09e-10, -1.281e-10, -6.01e-11] +| 83 | note: |- +| 84 | Reaction index: Chemkin #515; RMG #1957 +| 85 | PDep reaction: PDepNetwork #87 +| 86 | Flux pairs: HNO(63), HNO(T)(117); HNO(63), HNO(T)(117); +> 87 > - equation: HNO(T)(117) <=> HNO(63) # Reaction 561 + ^ +| 88 | type: Chebyshev +| 89 | temperature-range: [500.0, 1600.0] +| 90 | pressure-range: [0.099 atm, 98.692 atm] +******************************************************************************* + +""" + os.remove(model_path) + + model_path = copy_model(os.path.join(DATA_BASE_PATH, 'models', 'dups', '2.yaml'), name='B') + tb = fix.get_traceback(model_path) + line_num = tb[93:95] + assert tb == f"""Traceback (most recent call last): + File "/home/alon/Code/T3/t3/utils/fix_cantera.py", line {line_num}, in get_traceback + ct.Solution(model_path) + File "build/python/cantera/base.pyx", line 71, in cantera._cantera._SolutionBase.__cinit__ + File "build/python/cantera/base.pyx", line 128, in cantera._cantera._SolutionBase._cinit + File "build/python/cantera/base.pyx", line 215, in cantera._cantera._SolutionBase._init_yaml +cantera._cantera.CanteraError: +******************************************************************************* +InputFileError thrown by Kinetics::checkDuplicates: +Error on line 149 of /home/alon/Code/T3/tests/data/models/dups/temp_B_2.yaml: +No duplicate found for declared duplicate reaction number 0 (NH2O(93) + O2(3) <=> HNO(T)(117) + HO2(10)) +| Line | +| 144 | note: Epsilon & sigma estimated with Tc=544.31 K, Pc=43.8 bar (from +| 145 | Joback method) +| 146 | note: HNO(T)(117) +| 147 | +| 148 | reactions: +> 149 > - equation: O2(3) + NH2O(93) <=> HO2(10) + HNO(T)(117) # Reaction 503 + ^ +| 150 | duplicate: true +| 151 | rate-constant: {{A: 4429.0, b: 2.578, Ea: 29.877}} +| 152 | note: |- +******************************************************************************* + +""" + os.remove(model_path) + + +def test_get_dup_rxn_indices(): + """Test getting the reaction indices from the traceback.""" + model_path = copy_model(os.path.join(DATA_BASE_PATH, 'models', 'HOCHO.yaml')) + tb = fix.get_traceback(model_path) + rxns = fix.get_dup_rxn_indices(tb) + assert rxns == [] + os.remove(model_path) + + model_path = copy_model(os.path.join(DATA_BASE_PATH, 'models', 'dups', '1.yaml')) + tb = fix.get_traceback(model_path) + rxns = fix.get_dup_rxn_indices(tb) + assert rxns == [2, 1] + os.remove(model_path) + + +def test_get_mistakenly_marked_dup_rxns(): + """Test getting the reaction indices from the traceback.""" + model_path = copy_model(os.path.join(DATA_BASE_PATH, 'models', 'HOCHO.yaml')) + tb = fix.get_traceback(model_path) + rxns = fix.get_mistakenly_marked_dup_rxns(tb) + assert rxns == [] + os.remove(model_path) + + tb = 'No duplicate found for declared duplicate reaction number 51 (NH2O(93) + O2(3) <=> HNO(T)(117) + HO2(10))' + rxns = fix.get_mistakenly_marked_dup_rxns(tb) + assert rxns == [51] + + model_path = copy_model(os.path.join(DATA_BASE_PATH, 'models', 'dups', '2.yaml'), name='A') + tb = fix.get_traceback(model_path) + rxns = fix.get_mistakenly_marked_dup_rxns(tb) + assert rxns == [0] + os.remove(model_path)