description: |-
#############################################################

DME mechanism
Developed by N. Zettervall
FOI, Sweden, 2019-07-01
Zettervall, N., Fureby, C., & Nilsson, E. J.
(2021). Reduced Chemical Kinetic Reaction
Mechanism for Dimethyl Ether-Air Combustion.
Fuels, 2(3), 323-344.

#############################################################

generator: cti2yaml
cantera-version: 3.0.0a4
date: Mon, 24 Jun 2024 10:57:05 +0200
input-files: [Z69_DME_20190701.cti]

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

phases:
– name: gas
thermo: ideal-gas
elements: [H, O, C, N]
species: [CH3OCH3, CH3OCH2, CH3OCH2O2, CH3OCH2O2H, CH3O2, CH3O2H, CH3CHO,
CH3CO, CH3OCH2O, CH3OH, HO2CH2OCHO, CH2OCH2O2H, CH4, CH3, CH2, CH, CH3O, CH2O, HCO, CO, CO2, O2, N2, H2O, H, O,
OH, H2, HO2, H2O2]
kinetics: gas
reactions: all
transport: mixture-averaged
state:
T: 300.0
P: 1.01325e+05

species:
– name: CH3OCH3
composition: {H: 6, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1367.0, 5000.0]
data:
– [2.41860337, 0.018727964, -1.40894592e-06, -4.28367822e-09, 1.36818123e-12,
-2.36771735e+04, 12.8877967]
– [7.36358679, 0.0138910153, -4.74083257e-06, 7.34874498e-10, -4.25867578e-14,
-2.61148074e+04, -16.1332876]
transport:
model: gas
geometry: nonlinear
diameter: 4.037
well-depth: 395.0
dipole: 1.3
rotational-relaxation: 1.0
note: 1/20/11
– name: CH3OCH2
composition: {H: 5, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [300.0, 1389.0, 5000.0]
data:
– [2.19172957, 0.0190390966, -6.814507e-06, 8.63577609e-11, 3.23902492e-13,
-1389.48253, 16.2440756]
– [6.7313467, 0.011802253, -4.00104434e-06, 6.17227325e-10, -3.56435023e-14,
-3349.33412, -9.40782513]
transport:
model: gas
geometry: nonlinear
diameter: 4.037
well-depth: 395.0
dipole: 1.3
rotational-relaxation: 1.0
note: 1/20/11
– name: O
composition: {O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.1682671, -3.27931884e-03, 6.64306396e-06, -6.12806624e-09, 2.11265971e-12,
2.91222592e+04, 2.05193346]
– [2.54363697, -2.73162486e-05, -4.1902952e-09, 4.95481845e-12, -4.79553694e-16,
2.9226012e+04, 4.92229457]
transport:
model: gas
geometry: atom
diameter: 2.75
well-depth: 80.0
note: L1/90
– name: H
composition: {H: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [2.5, 0.0, 0.0, 0.0, 0.0, 2.547366e+04, -0.44668285]
– [2.5, 0.0, 0.0, 0.0, 0.0, 2.547366e+04, -0.44668285]
transport:
model: gas
geometry: atom
diameter: 2.05
well-depth: 145.0
note: L6/94
– name: OH
composition: {H: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.99198424, -2.40106655e-03, 4.61664033e-06, -3.87916306e-09, 1.36319502e-12,
3368.89836, -0.103998477]
– [2.83853033, 1.10741289e-03, -2.94000209e-07, 4.20698729e-11, -2.4228989e-15,
3697.80808, 5.84494652]
transport:
model: gas
geometry: linear
diameter: 2.75
well-depth: 80.0
note: HYDROXYLRADIIU3/03
– name: H2
composition: {H: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12,
-917.935173, 0.683010238]
– [2.93286575, 8.26608026e-04, -1.46402364e-07, 1.54100414e-11, -6.888048e-16,
-813.065581, -1.02432865]
transport:
model: gas
geometry: linear
diameter: 2.92
well-depth: 38.0
polarizability: 0.79
rotational-relaxation: 280.0
note: REFELEMENTtpis78
– name: H2O
composition: {H: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.1986352, -2.0364017e-03, 6.5203416e-06, -5.4879269e-09, 1.771968e-12,
-3.0293726e+04, -0.84900901]
– [2.6770389, 2.9731816e-03, -7.7376889e-07, 9.4433514e-11, -4.2689991e-15,
-2.9885894e+04, 6.88255]
transport:
model: gas
geometry: nonlinear
diameter: 2.605
well-depth: 572.4
dipole: 1.844
rotational-relaxation: 4.0
note: L5/89
– name: HO2
composition: {H: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 5000.0]
data:
– [4.30179807, -4.74912097e-03, 2.11582905e-05, -2.42763914e-08, 9.29225225e-12,
264.018485, 3.7166622]
– [4.17228741, 1.88117627e-03, -3.46277286e-07, 1.94657549e-11, 1.76256905e-16,
31.0206839, 2.95767672]
transport:
model: gas
geometry: nonlinear
diameter: 3.458
well-depth: 107.4
rotational-relaxation: 1.0
note: T1/09
– name: H2O2
composition: {H: 2, O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.31515149, -8.47390622e-04, 1.76404323e-05, -2.26762944e-08, 9.08950158e-12,
-1.77067437e+04, 3.27373319]
– [4.57977305, 4.05326003e-03, -1.2984473e-06, 1.982114e-10, -1.13968792e-14,
-1.80071775e+04, 0.664970694]
transport:
model: gas
geometry: nonlinear
diameter: 3.458
well-depth: 107.4
rotational-relaxation: 3.8
note: T8/03
– name: N2
composition: {N: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.53100528, -1.23660988e-04, -5.02999433e-07, 2.43530612e-09, -1.40881235e-12,
-1046.97628, 2.96747038]
– [2.95257637, 1.3969004e-03, -4.92631603e-07, 7.86010195e-11, -4.60755204e-15,
-923.948688, 5.87188762]
transport:
model: gas
geometry: linear
diameter: 3.621
well-depth: 97.53
polarizability: 1.76
rotational-relaxation: 4.0
note: REFELEMENTG8/02
– name: O2
composition: {O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12,
-1063.94356, 3.65767573]
– [3.66096065, 6.56365811e-04, -1.41149627e-07, 2.05797935e-11, -1.29913436e-15,
-1215.97718, 3.41536279]
transport:
model: gas
geometry: linear
diameter: 3.458
well-depth: 107.4
polarizability: 1.6
rotational-relaxation: 3.8
note: REFELEMENTRUS89
– name: CH4
composition: {H: 4, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [5.14825732, -0.013700241, 4.93749414e-05, -4.91952339e-08, 1.70097299e-11,
-1.02453222e+04, -4.63322726]
– [1.911786, 9.6026796e-03, -3.38387841e-06, 5.3879724e-10, -3.19306807e-14,
-1.00992136e+04, 8.48241861]
transport:
model: gas
geometry: nonlinear
diameter: 3.746
well-depth: 141.4
polarizability: 2.6
rotational-relaxation: 13.0
note: RRHOg8/99
– name: CH3
composition: {H: 3, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.6571797, 2.1265979e-03, 5.4583883e-06, -6.6181003e-09, 2.4657074e-12,
1.6422716e+04, 1.6735354]
– [2.9781206, 5.797852e-03, -1.97558e-06, 3.072979e-10, -1.7917416e-14,
1.6509513e+04, 4.7224799]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: IU0702
– name: CH2
composition: {H: 2, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.19331325, -2.33105184e-03, 8.15676451e-06, -6.62985981e-09, 1.93233199e-12,
5.03662246e+04, -0.74673431]
– [3.13501686, 2.89593926e-03, -8.1666809e-07, 1.13572697e-10, -6.36262835e-15,
5.05040504e+04, 4.06030621]
transport:
model: gas
geometry: linear
diameter: 3.8
well-depth: 144.0
note: SINGLETIU3/03
– name: CH
composition: {H: 1, C: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.4897583, 3.243216e-04, -1.6899751e-06, 3.162842e-09, -1.4061803e-12,
7.0660755e+04, 2.0842841]
– [2.5209369, 1.7653639e-03, -4.614766e-07, 5.9289675e-11, -3.3474501e-15,
7.0994878e+04, 7.4051829]
transport:
model: gas
geometry: linear
diameter: 2.75
well-depth: 80.0
note: IU3/03
– name: CH3O
composition: {H: 3, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.71180502, -2.80463306e-03, 3.76550971e-05, -4.73072089e-08, 1.8658842e-11,
1307.72484, 6.57240864]
– [4.75779238, 7.44142474e-03, -2.69705176e-06, 4.38090504e-10, -2.63537098e-14,
390.139164, -1.96680028]
transport:
model: gas
geometry: nonlinear
diameter: 3.69
well-depth: 417.0
dipole: 1.7
rotational-relaxation: 2.0
note: METHOXYRADIU1/03
– name: CH2O
composition: {H: 2, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.79372312, -9.90833322e-03, 3.7321999e-05, -3.79285237e-08, 1.31772641e-11,
-1.43227879e+04, 0.602798058]
– [3.16952665, 6.1932056e-03, -2.25056366e-06, 3.6597566e-10, -2.20149458e-14,
-1.44922756e+04, 6.04207898]
transport:
model: gas
geometry: nonlinear
diameter: 3.59
well-depth: 498.0
rotational-relaxation: 2.0
note: Formaldehydeg8/88
– name: HCO
composition: {H: 1, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.2375461, -3.32075257e-03, 1.40030264e-05, -1.34239995e-08, 4.37416208e-12,
3872.41185, 3.30834869]
– [3.92001542, 2.52279324e-03, -6.71004164e-07, 1.05615948e-10, -7.43798261e-15,
3653.42928, 3.58077056]
transport:
model: gas
geometry: nonlinear
diameter: 3.59
well-depth: 498.0
note: T5/03
– name: CO
composition: {C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [3.5795335, -6.1035369e-04, 1.0168143e-06, 9.0700586e-10, -9.0442449e-13,
-1.4344086e+04, 3.5084093]
– [3.0484859, 1.3517281e-03, -4.8579405e-07, 7.8853644e-11, -4.6980746e-15,
-1.4266117e+04, 6.0170977]
transport:
model: gas
geometry: linear
diameter: 3.65
well-depth: 98.1
polarizability: 1.95
rotational-relaxation: 1.8
note: RUS79
– name: CO2
composition: {C: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [2.356813, 8.9841299e-03, -7.1220632e-06, 2.4573008e-09, -1.4288548e-13,
-4.8371971e+04, 9.9009035]
– [4.6365111, 2.7414569e-03, -9.9589759e-07, 1.6038666e-10, -9.1619857e-15,
-4.9024904e+04, -1.9348955]
transport:
model: gas
geometry: linear
diameter: 3.763
well-depth: 244.0
polarizability: 2.65
rotational-relaxation: 2.1
note: L7/88
– name: CH3OCH2O2
composition: {H: 5, C: 2, O: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1399.0, 5000.0]
data:
– [1.72101041, 0.0378155492, -2.8966887e-05, 1.16796117e-08, -1.93234479e-12,
-2.05308597e+04, 21.9296296]
– [12.2024149, 0.0119225104, -4.06624713e-06, 6.30079576e-10, -3.65065312e-14,
-2.40327175e+04, -33.8665462]
transport:
model: gas
geometry: nonlinear
diameter: 4.037
well-depth: 395.0
dipole: 1.3
rotational-relaxation: 1.0
note: 1/20/11
– name: CH3CHO
composition: {H: 4, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.7294595, -3.1932858e-03, 4.7534921e-05, -5.7458611e-08, 2.1931112e-11,
-2.1572878e+04, 4.1030159]
– [5.4041108, 0.011723059, -4.2263137e-06, 6.8372451e-10, -4.0984863e-14,
-2.2593122e+04, -3.4807917]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: L8/88
– name: CH3CO
composition: {H: 3, C: 2, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [4.0358705, 8.7729487e-04, 3.071001e-05, -3.9247565e-08, 1.5296869e-11,
-2682.0738, 7.8617682]
– [5.3137165, 9.1737793e-03, -3.3220386e-06, 5.3947456e-10, -3.2452368e-14,
-3645.0414, -1.6757558]
transport:
model: gas
geometry: nonlinear
diameter: 3.97
well-depth: 436.0
rotational-relaxation: 2.0
note: IU2/03
– name: CH3OCH2O2H
composition: {H: 6, C: 2, O: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1402.0, 5000.0]
data:
– [0.737369081, 0.0467410003, -3.73051936e-05, 1.50735309e-08, -2.43781978e-12,
-3.73260287e+04, 25.7932851]
– [14.6617126, 0.0120544674, -4.13604704e-06, 6.43721637e-10, -3.74188832e-14,
-4.18896186e+04, -48.1293252]
transport:
model: gas
geometry: nonlinear
diameter: 4.037
well-depth: 395.0
dipole: 1.3
rotational-relaxation: 1.0
note: 1/20/11
– name: CH3OCH2O
composition: {H: 5, C: 2, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 2012.0, 5000.0]
data:
– [3.25889339, 0.0222146359, -7.7855634e-06, -2.41484158e-10, 4.51914496e-13,
-1.92377212e+04, 12.3680069]
– [8.60261845, 0.0135772195, -4.84661602e-06, 7.77766193e-10, -4.62633624e-14,
-2.13762444e+04, -17.5775023]
transport:
model: gas
geometry: nonlinear
diameter: 4.037
well-depth: 395.0
dipole: 1.3
rotational-relaxation: 1.0
note: 2/9/96THERM
– name: CH3OH
composition: {H: 4, C: 1, O: 1}
thermo:
model: NASA7
temperature-ranges: [200.0, 1000.0, 6000.0]
data:
– [5.65851051, -0.0162983419, 6.91938156e-05, -7.58372926e-08, 2.8042755e-11,
-2.56119736e+04, -0.897330508]
– [3.52726795, 0.0103178783, -3.62892944e-06, 5.77448016e-10, -3.42182632e-14,
-2.60028834e+04, 5.16758693]
transport:
model: gas
geometry: nonlinear
diameter: 3.626
well-depth: 481.8
rotational-relaxation: 1.0
note: T06/02
– name: CH3O2
composition: {H: 3, C: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1385.0, 5000.0]
data:
– [4.26146906, 0.0100873599, -3.21506184e-06, 2.09409267e-10, 4.18339103e-14,
-684.394259, 5.1633032]
– [5.95787891, 7.90728626e-03, -2.68246234e-06, 4.13891337e-10, -2.3900733e-14,
-1535.74838, -4.71963886]
transport:
model: gas
geometry: nonlinear
diameter: 3.626
well-depth: 481.8
dipole: 1.7
rotational-relaxation: 1.0
note: 7/13/98therm
– name: CH3O2H
composition: {H: 4, C: 1, O: 2}
thermo:
model: NASA7
temperature-ranges: [300.0, 1390.0, 5000.0]
data:
– [3.23442817, 0.0190129767, -1.13386287e-05, 3.40306653e-09, -4.11830222e-13,
-1.77197926e+04, 9.25623949]
– [8.43117091, 8.06817909e-03, -2.77094921e-06, 4.31332243e-10, -2.50692146e-14,
-1.96678771e+04, -19.1170629]
transport:
model: gas
geometry: nonlinear
diameter: 3.626
well-depth: 481.8
dipole: 1.7
rotational-relaxation: 1.0
note: 7/13/98therm
– name: CH2OCH2O2H
composition: {H: 5, C: 2, O: 3}
thermo:
model: NASA7
temperature-ranges: [300.0, 1393.0, 5000.0]
data:
– [2.52895507, 0.042412829, -3.73406386e-05, 1.66639333e-08, -2.96443312e-12,
-1.44293306e+04, 17.6899251]
– [15.1191783, 9.23718883e-03, -3.19127505e-06, 4.99114678e-10, -2.91162488e-14,
-1.84114867e+04, -48.5706618]
transport:
model: gas
geometry: nonlinear
diameter: 4.624
well-depth: 329.4
rotational-relaxation: 1.0
note: 7/20/98THERM
– name: HO2CH2OCHO
composition: {H: 4, C: 2, O: 4}
thermo:
model: NASA7
temperature-ranges: [300.0, 1387.0, 5000.0]
data:
– [3.47935703, 0.0402952392, -3.30109296e-05, 1.34360117e-08, -2.1860158e-12,
-5.80629934e+04, 15.2521392]
– [16.4584298, 8.52683511e-03, -3.041135e-06, 4.85596908e-10, -2.87316334e-14,
-6.23959608e+04, -53.8924139]
transport:
model: gas
geometry: nonlinear
diameter: 4.624
well-depth: 329.4
rotational-relaxation: 1.0
note: 8/31/99THERM

reactions:
– equation: CH3OCH3 (+ M) => CH3 + CH3O (+ M) # Reaction 1
type: falloff
low-P-rate-constant: {A: 7.52e+15, b: 0.0, Ea: 4.279e+04}
high-P-rate-constant: {A: 4.38e+21, b: -1.57, Ea: 8.389e+04}
Troe: {A: 0.454, T3: 1.0e-30, T1: 2510.0}
– equation: CH3OCH3 + OH => CH3OCH2 + H2O # Reaction 2
rate-constant: {A: 6.324e+06, b: 2.0, Ea: -651.7}
– equation: CH3OCH3 + H => CH3OCH2 + H2 # Reaction 3
rate-constant: {A: 7.721e+06, b: 2.09, Ea: 3384.0}
– equation: CH3OCH3 + O => CH3OCH2 + OH # Reaction 4
rate-constant: {A: 7.75e+08, b: 1.36, Ea: 2250.0}
– equation: CH3OCH3 + CH3O2 => CH3OCH2 + CH3O2H # Reaction 5
rate-constant: {A: 1.68e+13, b: 0.0, Ea: 1.369e+04}
– equation: CH3OCH2 + CH3O2H => CH3OCH3 + CH3O2 # Reaction 6
rate-constant: {A: 2.287e+14, b: -0.8, Ea: 7270.0}
– equation: CH3OCH3 + CH3CO => CH3OCH2 + CH3CHO # Reaction 7
rate-constant: {A: 7.746e+11, b: 0.28, Ea: 1.698e+04}
– equation: CH3OCH3 + CH3O => CH3OCH2 + CH3OH # Reaction 8
rate-constant: {A: 6.02e+11, b: 0.0, Ea: 4074.0}
– equation: CH3OCH3 + O2 => CH3OCH2 + HO2 # Reaction 9
rate-constant: {A: 4.1e+13, b: 0.0, Ea: 4.491e+04}
– equation: CH3OCH2 => CH2O + CH3 # Reaction 10
rate-constant: {A: 1.6e+13, b: 0.0, Ea: 2.55e+04}
– equation: CH3OCH2 + O2 => CH3OCH2O2 # Reaction 11
rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0}
– equation: CH3OCH2O2 + CH3OCH2O2 => O2 + CH3OCH2O + CH3OCH2O # Reaction 12
rate-constant: {A: 1.547e+23, b: -4.5, Ea: 0.0}
– equation: CH3OCH2O2 => CH3OCH2 + O2 # Reaction 13
rate-constant: {A: 4.439e+19, b: -1.59, Ea: 3.624e+04}
– equation: CH3OCH2O2 + CH3CHO => CH3OCH2O2H + CH3CO # Reaction 14
rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04}
– equation: CH3OCH2O + OH => CH3OCH2O2H # Reaction 15
rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
– equation: CH3OCH2O => CH3O + CH2O # Reaction 16
rate-constant: {A: 5.18e+12, b: -0.13, Ea: 1.937e+04}
– equation: CH3OCH2O2H => CH3OCH2O + OH # Reaction 17
rate-constant: {A: 4.384e+21, b: -1.94, Ea: 4.17e+04}
– equation: CH3OCH2O2 => CH2OCH2O2H # Reaction 18
rate-constant: {A: 2.2e+09, b: 0.0, Ea: 1.084608e+04}
– equation: ‘CH2OCH2O2H => CH3OCH2O2 ‘ # Reaction 19
rate-constant: {A: 2.2e+09, b: 0.0, Ea: 500}
– equation: CH2OCH2O2H => 2 CH2O + OH # Reaction 20
rate-constant: {A: 1.5e+13, b: 0.0, Ea: 3.05e+04}
– equation: CH2OCH2O2H + O2 => HO2CH2OCHO + OH # Reaction 21
rate-constant: {A: 2.86e+16, b: -1.48, Ea: 1873.09}
– equation: HO2CH2OCHO => CH2O + CO2 + OH + H # Reaction 22
rate-constant: {A: 2.5e+16, b: 0.0, Ea: 4.3e+04}
– equation: HO2CH2OCHO => CH2O + CO + 2 OH # Reaction 23
rate-constant: {A: 2.5e+16, b: 0.0, Ea: 3.8e+04}
– equation: CH3 + O2 + M => CH3O2 + M # Reaction 24
type: three-body
rate-constant: {A: 2.4e+13, b: 0, Ea: 28812}
– equation: CH3O2 + CH3O2 => O2 + CH3O + CH3O # Reaction 25
rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0}
– equation: CH3OCH2O2 + CH3OCH3 => CH3OCH2O2H + CH3CO + H2 # Reaction 26
rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.06e+04}
– equation: CH3OH (+ M) => CH3 + OH (+ M) # Reaction 27
type: falloff
low-P-rate-constant: {A: 2.95e+44, b: -7.35, Ea: 9.546e+04}
high-P-rate-constant: {A: 1.9e+16, b: 0.0, Ea: 9.173e+04}
Troe: {A: 0.414, T3: 279.0, T1: 5459.0}
efficiencies: {H2: 2.0, H2O: 16.0, CO2: 3.0, CO: 2.0}
– equation: H + O2 => OH + O # Reaction 28
rate-constant: {A: 1.5e+14, b: 0, Ea: 16800}
– equation: OH + O => H + O2 # Reaction 29
rate-constant: {A: 1.2e+13, b: 0, Ea: 690}
– equation: O + H2 => OH + H # Reaction 30
rate-constant: {A: 1.8e+10, b: 1, Ea: 8826}
– equation: OH + H => O + H2 # Reaction 31
rate-constant: {A: 8.0e+09, b: 1, Ea: 6760}
– equation: H2 + OH => H2O + H # Reaction 32
rate-constant: {A: 1.17e+09, b: 1.3, Ea: 3626}
– equation: H2O + H => H2 + OH # Reaction 33
rate-constant: {A: 6.0e+09, b: 1.3, Ea: 18588}
– equation: OH + OH => O + H2O # Reaction 34
rate-constant: {A: 6.0e+08, b: 1.3, Ea: 0}
– equation: O + H2O => OH + OH # Reaction 35
rate-constant: {A: 4.0e+09, b: 1.3, Ea: 17029}
– equation: H + O2 + M => HO2 + M # Reaction 36
type: three-body
rate-constant: {A: 2.2e+18, b: -0.8, Ea: 0}
efficiencies: {CH4: 6.5, CO: 0.75, CO2: 1.5, H2: 1, H2O: 6.5, N2: 0.4,
O2: 0.4}
– equation: H + HO2 => OH + OH # Reaction 37
rate-constant: {A: 1.5e+14, b: 0, Ea: 1004}
– equation: H + HO2 => H2 + O2 # Reaction 38
rate-constant: {A: 2.5e+13, b: 0, Ea: 700}
– equation: OH + HO2 => H2O + O2 # Reaction 39
rate-constant: {A: 2.0e+13, b: 0, Ea: 1000}
– equation: CO + OH => CO2 + H # Reaction 40
rate-constant: {A: 1.51e+07, b: 1.3, Ea: -758}
– equation: CO2 + H => CO + OH # Reaction 41
rate-constant: {A: 1.57e+09, b: 1.3, Ea: 20400}
– equation: CH4 (+ M) => CH3 + H (+ M) # Reaction 42
type: falloff
low-P-rate-constant: {A: 1.0e+17, b: 0, Ea: 86000}
high-P-rate-constant: {A: 6.3e+14, b: 0, Ea: 104000}
efficiencies: {CH3OCH3: 3, CH4: 6.5, CO: 0.75, CO2: 1.5, H2: 1, H2O: 6.5,
N2: 0.4, O2: 0.4}
– equation: CH3 + H (+ M) => CH4 (+ M) # Reaction 43
type: falloff
low-P-rate-constant: {A: 8.25e+14, b: 0, Ea: -19310}
high-P-rate-constant: {A: 5.2e+12, b: 0, Ea: -1310}
efficiencies: {CH3OCH3: 3, CH4: 6.5, CO: 0.75, CO2: 1.5, H2: 1, H2O: 6.5,
N2: 0.4, O2: 0.4}
– equation: CH4 + H => CH3 + H2 # Reaction 44
rate-constant: {A: 2.2e+04, b: 3, Ea: 8750}
– equation: CH3 + H2 => CH4 + H # Reaction 45
rate-constant: {A: 957.0, b: 3, Ea: 8750}
– equation: CH4 + OH => CH3 + H2O # Reaction 46
rate-constant: {A: 1.6e+06, b: 2.1, Ea: 2460}
– equation: CH3 + H2O => CH4 + OH # Reaction 47
rate-constant: {A: 3.02e+05, b: 2.1, Ea: 17422}
– equation: CH3 + O => CH2O + H # Reaction 48
rate-constant: {A: 6.8e+13, b: 0, Ea: 0}
– equation: CH2O + H => HCO + H2 # Reaction 49
rate-constant: {A: 5.0e+13, b: 0, Ea: 3991}
– equation: CH2O + OH => HCO + H2O # Reaction 50
rate-constant: {A: 1.4e+14, b: 0, Ea: 1100}
– equation: HCO + H => CO + H2 # Reaction 51
rate-constant: {A: 4.0e+13, b: 0, Ea: 0}
– equation: HCO + M => CO + H + M # Reaction 52
type: three-body
rate-constant: {A: 1.6e+14, b: 0, Ea: 14700}
– equation: CH3 + O2 => CH3O + O # Reaction 53
rate-constant: {A: 3.0e+13, b: 0, Ea: 25652}
– equation: CH3O + H => CH2O + H2 # Reaction 54
rate-constant: {A: 2.0e+13, b: 0, Ea: 0}
– equation: CH3O + M => CH2O + H + M # Reaction 55
type: three-body
rate-constant: {A: 2.4e+13, b: 0, Ea: 28812}
– equation: HO2 + HO2 => H2O2 + O2 # Reaction 56
rate-constant: {A: 2.0e+14, b: 0, Ea: 0}
– equation: H2O2 + M => OH + OH + M # Reaction 57
type: three-body
rate-constant: {A: 1.3e+17, b: 0, Ea: 45500}
– equation: OH + OH + M => H2O2 + M # Reaction 58
type: three-body
rate-constant: {A: 9.86e+14, b: 0, Ea: -5070}
– equation: H2O2 + OH => H2O + HO2 # Reaction 59
rate-constant: {A: 1.0e+13, b: 0, Ea: 1800}
– equation: H2O + HO2 => H2O2 + OH # Reaction 60
rate-constant: {A: 2.86e+13, b: 0, Ea: 32790}
– equation: OH + H + M => H2O + M # Reaction 61
type: three-body
rate-constant: {A: 2.2e+22, b: -2, Ea: 0}
– equation: H + H + M => H2 + M # Reaction 62
type: three-body
rate-constant: {A: 1.8e+18, b: -1, Ea: 0}
– equation: ‘ CH3 + OH => CH2 + H2O ‘ # Reaction 63
rate-constant: {A: 7.6e+06, b: 2.0, Ea: 5000}
– equation: ‘ CH2 + O => CO + H2 ‘ # Reaction 64
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
– equation: ‘ CH2 + OH => CH + H2O ‘ # Reaction 65
rate-constant: {A: 1.13e+07, b: 2.0, Ea: 3000}
– equation: ‘ CH + O => CO + H ‘ # Reaction 66
rate-constant: {A: 5.7e+13, b: 0, Ea: 0}
– equation: ‘ CH + OH => HCO + H ‘ # Reaction 67
rate-constant: {A: 3.0e+13, b: 0, Ea: 0}
– equation: ‘ CH + O2 => HCO + O ‘ # Reaction 68
rate-constant: {A: 3.3e+13, b: 0, Ea: 0}
– equation: ‘ CH + CO2 => HCO + CO ‘ # Reaction 69
rate-constant: {A: 8.4e+13, b: 0, Ea: 200}