"""
A 30-species skeletal mechanism based on GRI3.0
by Tianfeng Lu
Email: tlu@engr.uconn.edu
Reference:
Tianfeng Lu and Chung K. Law,
"A criterion based on computational singular perturbation
for the identification of quasi steady state species:
A reduced mechanism for methane oxidation with NO chemistry,"
Combustion and Flame, Vol.154 No.4 pp.761774, 2008.
"""
units(length='cm', time='s', quantity='mol', act_energy='cal/mol')
ideal_gas(name='gas',
elements="O H C N Ar",
species="""H2 H O O2 OH H2O HO2
H2O2 C CH CH2 CH2(S) CH3 CH4
CO CO2 HCO CH2O CH2OH CH3O CH3OH
C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO
CH2CHO N2""",
reactions='all',
transport='Mix',
initial_state=state(temperature=300.0, pressure=OneAtm))
#-------------------------------------------------------------------------------
# Species data
#-------------------------------------------------------------------------------
species(name=u'H2',
atoms='H:2',
thermo=(NASA([200.00, 1000.00],
[ 2.34433112E+00, 7.98052075E-03, -1.94781510E-05,
2.01572094E-08, -7.37611761E-12, -9.17935173E+02,
6.83010238E-01]),
NASA([1000.00, 3500.00],
[ 3.33727920E+00, -4.94024731E-05, 4.99456778E-07,
-1.79566394E-10, 2.00255376E-14, -9.50158922E+02,
-3.20502331E+00])),
transport=gas_transport(geom='linear',
diam=2.92,
well_depth=38.0,
polar=0.79,
rot_relax=280.0),
note=u'TPIS78')
species(name=u'H',
atoms='H:1',
thermo=(NASA([200.00, 1000.00],
[ 2.50000000E+00, 7.05332819E-13, -1.99591964E-15,
2.30081632E-18, -9.27732332E-22, 2.54736599E+04,
-4.46682853E-01]),
NASA([1000.00, 3500.00],
[ 2.50000001E+00, -2.30842973E-11, 1.61561948E-14,
-4.73515235E-18, 4.98197357E-22, 2.54736599E+04,
-4.46682914E-01])),
transport=gas_transport(geom='atom',
diam=2.05,
well_depth=145.0),
note=u'L7/88')
species(name=u'O',
atoms='O:1',
thermo=(NASA([200.00, 1000.00],
[ 3.16826710E+00, -3.27931884E-03, 6.64306396E-06,
-6.12806624E-09, 2.11265971E-12, 2.91222592E+04,
2.05193346E+00]),
NASA([1000.00, 3500.00],
[ 2.56942078E+00, -8.59741137E-05, 4.19484589E-08,
-1.00177799E-11, 1.22833691E-15, 2.92175791E+04,
4.78433864E+00])),
transport=gas_transport(geom='atom',
diam=2.75,
well_depth=80.0),
note=u'L1/90')
species(name=u'O2',
atoms='O:2',
thermo=(NASA([200.00, 1000.00],
[ 3.78245636E+00, -2.99673416E-03, 9.84730201E-06,
-9.68129509E-09, 3.24372837E-12, -1.06394356E+03,
3.65767573E+00]),
NASA([1000.00, 3500.00],
[ 3.28253784E+00, 1.48308754E-03, -7.57966669E-07,
2.09470555E-10, -2.16717794E-14, -1.08845772E+03,
5.45323129E+00])),
transport=gas_transport(geom='linear',
diam=3.458,
well_depth=107.4,
polar=1.6,
rot_relax=3.8),
note=u'TPIS89')
species(name=u'OH',
atoms='H:1 O:1',
thermo=(NASA([200.00, 1000.00],
[ 3.99201543E+00, -2.40131752E-03, 4.61793841E-06,
-3.88113333E-09, 1.36411470E-12, 3.61508056E+03,
-1.03925458E-01]),
NASA([1000.00, 3500.00],
[ 3.09288767E+00, 5.48429716E-04, 1.26505228E-07,
-8.79461556E-11, 1.17412376E-14, 3.85865700E+03,
4.47669610E+00])),
transport=gas_transport(geom='linear',
diam=2.75,
well_depth=80.0),
note=u'RUS78')
species(name=u'H2O',
atoms='H:2 O:1',
thermo=(NASA([200.00, 1000.00],
[ 4.19864056E+00, -2.03643410E-03, 6.52040211E-06,
-5.48797062E-09, 1.77197817E-12, -3.02937267E+04,
-8.49032208E-01]),
NASA([1000.00, 3500.00],
[ 3.03399249E+00, 2.17691804E-03, -1.64072518E-07,
-9.70419870E-11, 1.68200992E-14, -3.00042971E+04,
4.96677010E+00])),
transport=gas_transport(geom='nonlinear',
diam=2.605,
well_depth=572.4,
dipole=1.844,
rot_relax=4.0),
note=u'L8/89')
species(name=u'HO2',
atoms='H:1 O:2',
thermo=(NASA([200.00, 1000.00],
[ 4.30179801E+00, -4.74912051E-03, 2.11582891E-05,
-2.42763894E-08, 9.29225124E-12, 2.94808040E+02,
3.71666245E+00]),
NASA([1000.00, 3500.00],
[ 4.01721090E+00, 2.23982013E-03, -6.33658150E-07,
1.14246370E-10, -1.07908535E-14, 1.11856713E+02,
3.78510215E+00])),
transport=gas_transport(geom='nonlinear',
diam=3.458,
well_depth=107.4,
rot_relax=1.0),
note=u'L5/89')
species(name=u'H2O2',
atoms='H:2 O:2',
thermo=(NASA([200.00, 1000.00],
[ 4.27611269E+00, -5.42822417E-04, 1.67335701E-05,
-2.15770813E-08, 8.62454363E-12, -1.77025821E+04,
3.43505074E+00]),
NASA([1000.00, 3500.00],
[ 4.16500285E+00, 4.90831694E-03, -1.90139225E-06,
3.71185986E-10, -2.87908305E-14, -1.78617877E+04,
2.91615662E+00])),
transport=gas_transport(geom='nonlinear',
diam=3.458,
well_depth=107.4,
rot_relax=3.8),
note=u'L7/88')
species(name=u'C',
atoms='C:1',
thermo=(NASA([200.00, 1000.00],
[ 2.55423955E+00, -3.21537724E-04, 7.33792245E-07,
-7.32234889E-10, 2.66521446E-13, 8.54438832E+04,
4.53130848E+00]),
NASA([1000.00, 3500.00],
[ 2.49266888E+00, 4.79889284E-05, -7.24335020E-08,
3.74291029E-11, -4.87277893E-15, 8.54512953E+04,
4.80150373E+00])),
transport=gas_transport(geom='atom',
diam=3.298,
well_depth=71.4),
note=u'L11/88')
species(name=u'CH',
atoms='H:1 C:1',
thermo=(NASA([200.00, 1000.00],
[ 3.48981665E+00, 3.23835541E-04, -1.68899065E-06,
3.16217327E-09, -1.40609067E-12, 7.07972934E+04,
2.08401108E+00]),
NASA([1000.00, 3500.00],
[ 2.87846473E+00, 9.70913681E-04, 1.44445655E-07,
-1.30687849E-10, 1.76079383E-14, 7.10124364E+04,
5.48497999E+00])),
transport=gas_transport(geom='linear',
diam=2.75,
well_depth=80.0),
note=u'TPIS79')
species(name=u'CH2',
atoms='H:2 C:1',
thermo=(NASA([200.00, 1000.00],
[ 3.76267867E+00, 9.68872143E-04, 2.79489841E-06,
-3.85091153E-09, 1.68741719E-12, 4.60040401E+04,
1.56253185E+00]),
NASA([1000.00, 3500.00],
[ 2.87410113E+00, 3.65639292E-03, -1.40894597E-06,
2.60179549E-10, -1.87727567E-14, 4.62636040E+04,
6.17119324E+00])),
transport=gas_transport(geom='linear',
diam=3.8,
well_depth=144.0),
note=u'LS/93')
species(name=u'CH2(S)',
atoms='H:2 C:1',
thermo=(NASA([200.00, 1000.00],
[ 4.19860411E+00, -2.36661419E-03, 8.23296220E-06,
-6.68815981E-09, 1.94314737E-12, 5.04968163E+04,
-7.69118967E-01]),
NASA([1000.00, 3500.00],
[ 2.29203842E+00, 4.65588637E-03, -2.01191947E-06,
4.17906000E-10, -3.39716365E-14, 5.09259997E+04,
8.62650169E+00])),
transport=gas_transport(geom='linear',
diam=3.8,
well_depth=144.0),
note=u'LS/93')
species(name=u'CH3',
atoms='H:3 C:1',
thermo=(NASA([200.00, 1000.00],
[ 3.67359040E+00, 2.01095175E-03, 5.73021856E-06,
-6.87117425E-09, 2.54385734E-12, 1.64449988E+04,
1.60456433E+00]),
NASA([1000.00, 3500.00],
[ 2.28571772E+00, 7.23990037E-03, -2.98714348E-06,
5.95684644E-10, -4.67154394E-14, 1.67755843E+04,
8.48007179E+00])),
transport=gas_transport(geom='linear',
diam=3.8,
well_depth=144.0),
note=u'L11/89')
species(name=u'CH4',
atoms='H:4 C:1',
thermo=(NASA([200.00, 1000.00],
[ 5.14987613E+00, -1.36709788E-02, 4.91800599E-05,
-4.84743026E-08, 1.66693956E-11, -1.02466476E+04,
-4.64130376E+00]),
NASA([1000.00, 3500.00],
[ 7.48514950E-02, 1.33909467E-02, -5.73285809E-06,
1.22292535E-09, -1.01815230E-13, -9.46834459E+03,
1.84373180E+01])),
transport=gas_transport(geom='nonlinear',
diam=3.746,
well_depth=141.4,
polar=2.6,
rot_relax=13.0),
note=u'L8/88')
species(name=u'CO',
atoms='C:1 O:1',
thermo=(NASA([200.00, 1000.00],
[ 3.57953347E+00, -6.10353680E-04, 1.01681433E-06,
9.07005884E-10, -9.04424499E-13, -1.43440860E+04,
3.50840928E+00]),
NASA([1000.00, 3500.00],
[ 2.71518561E+00, 2.06252743E-03, -9.98825771E-07,
2.30053008E-10, -2.03647716E-14, -1.41518724E+04,
7.81868772E+00])),
transport=gas_transport(geom='linear',
diam=3.65,
well_depth=98.1,
polar=1.95,
rot_relax=1.8),
note=u'TPIS79')
species(name=u'CO2',
atoms='C:1 O:2',
thermo=(NASA([200.00, 1000.00],
[ 2.35677352E+00, 8.98459677E-03, -7.12356269E-06,
2.45919022E-09, -1.43699548E-13, -4.83719697E+04,
9.90105222E+00]),
NASA([1000.00, 3500.00],
[ 3.85746029E+00, 4.41437026E-03, -2.21481404E-06,
5.23490188E-10, -4.72084164E-14, -4.87591660E+04,
2.27163806E+00])),
transport=gas_transport(geom='linear',
diam=3.763,
well_depth=244.0,
polar=2.65,
rot_relax=2.1),
note=u'L7/88')
species(name=u'HCO',
atoms='H:1 C:1 O:1',
thermo=(NASA([200.00, 1000.00],
[ 4.22118584E+00, -3.24392532E-03, 1.37799446E-05,
-1.33144093E-08, 4.33768865E-12, 3.83956496E+03,
3.39437243E+00]),
NASA([1000.00, 3500.00],
[ 2.77217438E+00, 4.95695526E-03, -2.48445613E-06,
5.89161778E-10, -5.33508711E-14, 4.01191815E+03,
9.79834492E+00])),
transport=gas_transport(geom='nonlinear',
diam=3.59,
well_depth=498.0),
note=u'L12/89')
species(name=u'CH2O',
atoms='H:2 C:1 O:1',
thermo=(NASA([200.00, 1000.00],
[ 4.79372315E+00, -9.90833369E-03, 3.73220008E-05,
-3.79285261E-08, 1.31772652E-11, -1.43089567E+04,
6.02812900E-01]),
NASA([1000.00, 3500.00],
[ 1.76069008E+00, 9.20000082E-03, -4.42258813E-06,
1.00641212E-09, -8.83855640E-14, -1.39958323E+04,
1.36563230E+01])),
transport=gas_transport(geom='nonlinear',
diam=3.59,
well_depth=498.0,
rot_relax=2.0),
note=u'L8/88')
species(name=u'CH2OH',
atoms='H:3 C:1 O:1',
thermo=(NASA([200.00, 1000.00],
[ 3.86388918E+00, 5.59672304E-03, 5.93271791E-06,
-1.04532012E-08, 4.36967278E-12, -3.19391367E+03,
5.47302243E+00]),
NASA([1000.00, 3500.00],
[ 3.69266569E+00, 8.64576797E-03, -3.75101120E-06,
7.87234636E-10, -6.48554201E-14, -3.24250627E+03,
5.81043215E+00])),
transport=gas_transport(geom='nonlinear',
diam=3.69,
well_depth=417.0,
dipole=1.7,
rot_relax=2.0),
note=u'GUNL93')
species(name=u'CH3O',
atoms='H:3 C:1 O:1',
thermo=(NASA([300.00, 1000.00],
[ 2.10620400E+00, 7.21659500E-03, 5.33847200E-06,
-7.37763600E-09, 2.07561000E-12, 9.78601100E+02,
1.31521770E+01]),
NASA([1000.00, 3000.00],
[ 3.77079900E+00, 7.87149700E-03, -2.65638400E-06,
3.94443100E-10, -2.11261600E-14, 1.27832520E+02,
2.92957500E+00])),
transport=gas_transport(geom='nonlinear',
diam=3.69,
well_depth=417.0,
dipole=1.7,
rot_relax=2.0),
note=u'121686')
species(name=u'CH3OH',
atoms='H:4 C:1 O:1',
thermo=(NASA([200.00, 1000.00],
[ 5.71539582E+00, -1.52309129E-02, 6.52441155E-05,
-7.10806889E-08, 2.61352698E-11, -2.56427656E+04,
-1.50409823E+00]),
NASA([1000.00, 3500.00],
[ 1.78970791E+00, 1.40938292E-02, -6.36500835E-06,
1.38171085E-09, -1.17060220E-13, -2.53748747E+04,
1.45023623E+01])),
transport=gas_transport(geom='nonlinear',
diam=3.626,
well_depth=481.8,
rot_relax=1.0),
note=u'L8/88')
species(name=u'C2H2',
atoms='H:2 C:2',
thermo=(NASA([200.00, 1000.00],
[ 8.08681094E-01, 2.33615629E-02, -3.55171815E-05,
2.80152437E-08, -8.50072974E-12, 2.64289807E+04,
1.39397051E+01]),
NASA([1000.00, 3500.00],
[ 4.14756964E+00, 5.96166664E-03, -2.37294852E-06,
4.67412171E-10, -3.61235213E-14, 2.59359992E+04,
-1.23028121E+00])),
transport=gas_transport(geom='linear',
diam=4.1,
well_depth=209.0,
rot_relax=2.5),
note=u'L1/91')
species(name=u'C2H3',
atoms='H:3 C:2',
thermo=(NASA([200.00, 1000.00],
[ 3.21246645E+00, 1.51479162E-03, 2.59209412E-05,
-3.57657847E-08, 1.47150873E-11, 3.48598468E+04,
8.51054025E+00]),
NASA([1000.00, 3500.00],
[ 3.01672400E+00, 1.03302292E-02, -4.68082349E-06,
1.01763288E-09, -8.62607041E-14, 3.46128739E+04,
7.78732378E+00])),
transport=gas_transport(geom='nonlinear',
diam=4.1,
well_depth=209.0,
rot_relax=1.0),
note=u'L2/92')
species(name=u'C2H4',
atoms='H:4 C:2',
thermo=(NASA([200.00, 1000.00],
[ 3.95920148E+00, -7.57052247E-03, 5.70990292E-05,
-6.91588753E-08, 2.69884373E-11, 5.08977593E+03,
4.09733096E+00]),
NASA([1000.00, 3500.00],
[ 2.03611116E+00, 1.46454151E-02, -6.71077915E-06,
1.47222923E-09, -1.25706061E-13, 4.93988614E+03,
1.03053693E+01])),
transport=gas_transport(geom='nonlinear',
diam=3.971,
well_depth=280.8,
rot_relax=1.5),
note=u'L1/91')
species(name=u'C2H5',
atoms='H:5 C:2',
thermo=(NASA([200.00, 1000.00],
[ 4.30646568E+00, -4.18658892E-03, 4.97142807E-05,
-5.99126606E-08, 2.30509004E-11, 1.28416265E+04,
4.70720924E+00]),
NASA([1000.00, 3500.00],
[ 1.95465642E+00, 1.73972722E-02, -7.98206668E-06,
1.75217689E-09, -1.49641576E-13, 1.28575200E+04,
1.34624343E+01])),
transport=gas_transport(geom='nonlinear',
diam=4.302,
well_depth=252.3,
rot_relax=1.5),
note=u'L12/92')
species(name=u'C2H6',
atoms='H:6 C:2',
thermo=(NASA([200.00, 1000.00],
[ 4.29142492E+00, -5.50154270E-03, 5.99438288E-05,
-7.08466285E-08, 2.68685771E-11, -1.15222055E+04,
2.66682316E+00]),
NASA([1000.00, 3500.00],
[ 1.07188150E+00, 2.16852677E-02, -1.00256067E-05,
2.21412001E-09, -1.90002890E-13, -1.14263932E+04,
1.51156107E+01])),
transport=gas_transport(geom='nonlinear',
diam=4.302,
well_depth=252.3,
rot_relax=1.5),
note=u'L8/88')
species(name=u'HCCO',
atoms='H:1 C:2 O:1',
thermo=(NASA([300.00, 1000.00],
[ 2.25172140E+00, 1.76550210E-02, -2.37291010E-05,
1.72757590E-08, -5.06648110E-12, 2.00594490E+04,
1.24904170E+01]),
NASA([1000.00, 4000.00],
[ 5.62820580E+00, 4.08534010E-03, -1.59345470E-06,
2.86260520E-10, -1.94078320E-14, 1.93272150E+04,
-3.93025950E+00])),
transport=gas_transport(geom='nonlinear',
diam=2.5,
well_depth=150.0,
rot_relax=1.0),
note=u'SRIC91')
species(name=u'CH2CO',
atoms='H:2 C:2 O:1',
thermo=(NASA([200.00, 1000.00],
[ 2.13583630E+00, 1.81188721E-02, -1.73947474E-05,
9.34397568E-09, -2.01457615E-12, -7.04291804E+03,
1.22156480E+01]),
NASA([1000.00, 3500.00],
[ 4.51129732E+00, 9.00359745E-03, -4.16939635E-06,
9.23345882E-10, -7.94838201E-14, -7.55105311E+03,
6.32247205E-01])),
transport=gas_transport(geom='nonlinear',
diam=3.97,
well_depth=436.0,
rot_relax=2.0),
note=u'L5/90')
species(name=u'CH2CHO',
atoms='H:3 C:2 O:1',
thermo=(NASA([300.00, 1000.00],
[ 3.40906200E+00, 1.07385740E-02, 1.89149200E-06,
-7.15858300E-09, 2.86738500E-12, 1.52147660E+03,
9.55829000E+00]),
NASA([1000.00, 5000.00],
[ 5.97567000E+00, 8.13059100E-03, -2.74362400E-06,
4.07030400E-10, -2.17601700E-14, 4.90321800E+02,
-5.04525100E+00])),
transport=gas_transport(geom='nonlinear',
diam=3.97,
well_depth=436.0,
rot_relax=2.0),
note=u'SAND86')
species(name=u'N2',
atoms='N:2',
thermo=(NASA([300.00, 1000.00],
[ 3.29867700E+00, 1.40824040E-03, -3.96322200E-06,
5.64151500E-09, -2.44485400E-12, -1.02089990E+03,
3.95037200E+00]),
NASA([1000.00, 5000.00],
[ 2.92664000E+00, 1.48797680E-03, -5.68476000E-07,
1.00970380E-10, -6.75335100E-15, -9.22797700E+02,
5.98052800E+00])),
transport=gas_transport(geom='linear',
diam=3.621,
well_depth=97.53,
polar=1.76,
rot_relax=4.0),
note=u'121286')
#-------------------------------------------------------------------------------
# Reaction data
#-------------------------------------------------------------------------------
# R1
# Reaction 1
three_body_reaction('2 O + M <=> O2 + M', [1.200000e+17, -1.0, 0.0],
efficiencies='CO2:3.6 CO:1.75 H2:2.4 H2O:15.4 CH4:2.0 C2H6:3.0')
# R2
# Reaction 2
three_body_reaction('O + H + M <=> OH + M', [5.000000e+17, -1.0, 0.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0')
# R3
# Reaction 3
reaction('O + H2 <=> H + OH', [3.870000e+04, 2.7, 6260.0])
# R4
# Reaction 4
reaction('O + HO2 <=> OH + O2', [2.000000e+13, 0.0, 0.0])
# R5
# Reaction 5
reaction('O + H2O2 <=> OH + HO2', [9.630000e+06, 2.0, 4000.0])
# R6
# Reaction 6
reaction('O + CH <=> H + CO', [5.700000e+13, 0.0, 0.0])
# R7
# Reaction 7
reaction('O + CH2 <=> H + HCO', [8.000000e+13, 0.0, 0.0])
# R8
# Reaction 8
reaction('O + CH2(S) <=> H2 + CO', [1.500000e+13, 0.0, 0.0])
# R9
# Reaction 9
reaction('O + CH2(S) <=> H + HCO', [1.500000e+13, 0.0, 0.0])
# R10
# Reaction 10
reaction('O + CH3 <=> H + CH2O', [5.060000e+13, 0.0, 0.0])
# R11
# Reaction 11
reaction('O + CH4 <=> OH + CH3', [1.020000e+09, 1.5, 8600.0])
# R12
# Reaction 12
falloff_reaction('O + CO (+ M) <=> CO2 (+ M)',
kf=[1.800000e+10, 0.0, 2385.0],
kf0=[6.020000e+14, 0.0, 3000.0],
efficiencies='CO2:3.5 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0 O2:6.0')
# R13
# Reaction 13
reaction('O + HCO <=> OH + CO', [3.000000e+13, 0.0, 0.0])
# R14
# Reaction 14
reaction('O + HCO <=> H + CO2', [3.000000e+13, 0.0, 0.0])
# R15
# Reaction 15
reaction('O + CH2O <=> OH + HCO', [3.900000e+13, 0.0, 3540.0])
# R16
# Reaction 16
reaction('O + CH2OH <=> OH + CH2O', [1.000000e+13, 0.0, 0.0])
# R17
# Reaction 17
reaction('O + CH3O <=> OH + CH2O', [1.000000e+13, 0.0, 0.0])
# R18
# Reaction 18
reaction('O + CH3OH <=> OH + CH2OH', [3.880000e+05, 2.5, 3100.0])
# R19
# Reaction 19
reaction('O + CH3OH <=> OH + CH3O', [1.300000e+05, 2.5, 5000.0])
# R20
# Reaction 20
reaction('O + C2H2 <=> H + HCCO', [1.350000e+07, 2.0, 1900.0])
# R21
# Reaction 21
reaction('O + C2H2 <=> CO + CH2', [6.940000e+06, 2.0, 1900.0])
# R22
# Reaction 22
reaction('O + C2H3 <=> H + CH2CO', [3.000000e+13, 0.0, 0.0])
# R23
# Reaction 23
reaction('O + C2H4 <=> CH3 + HCO', [1.250000e+07, 1.83, 220.0])
# R24
# Reaction 24
reaction('O + C2H5 <=> CH3 + CH2O', [2.240000e+13, 0.0, 0.0])
# R25
# Reaction 25
reaction('O + C2H6 <=> OH + C2H5', [8.980000e+07, 1.92, 5690.0])
# R26
# Reaction 26
reaction('O + HCCO <=> H + 2 CO', [1.000000e+14, 0.0, 0.0])
# R27
# Reaction 27
reaction('O + CH2CO <=> OH + HCCO', [1.000000e+13, 0.0, 8000.0])
# R28
# Reaction 28
reaction('O + CH2CO <=> CH2 + CO2', [1.750000e+12, 0.0, 1350.0])
# R29
# Reaction 29
reaction('O2 + CO <=> O + CO2', [2.500000e+12, 0.0, 47800.0])
# R30
# Reaction 30
reaction('O2 + CH2O <=> HO2 + HCO', [1.000000e+14, 0.0, 40000.0])
# R31
# Reaction 31
three_body_reaction('H + O2 + M <=> HO2 + M', [2.800000e+18, -0.86, 0.0],
efficiencies='CO2:1.5 CO:0.75 H2O:0.0 C2H6:1.5 N2:0.0 O2:0.0')
# R32
# Reaction 32
reaction('H + 2 O2 <=> HO2 + O2', [2.080000e+19, -1.24, 0.0])
# R33
# Reaction 33
reaction('H + O2 + H2O <=> HO2 + H2O', [1.126000e+19, -0.76, 0.0])
# R34
# Reaction 34
reaction('H + O2 + N2 <=> HO2 + N2', [2.600000e+19, -1.24, 0.0])
# R35
# Reaction 35
reaction('H + O2 <=> O + OH', [2.650000e+16, -0.6707, 17041.0])
# R36
# Reaction 36
three_body_reaction('2 H + M <=> H2 + M', [1.000000e+18, -1.0, 0.0],
efficiencies='H2:0.0 C2H6:3.0 H2O:0.0 CO2:0.0 CH4:2.0')
# R37
# Reaction 37
reaction('2 H + H2 <=> 2 H2', [9.000000e+16, -0.6, 0.0])
# R38
# Reaction 38
reaction('2 H + H2O <=> H2 + H2O', [6.000000e+19, -1.25, 0.0])
# R39
# Reaction 39
reaction('2 H + CO2 <=> H2 + CO2', [5.500000e+20, -2.0, 0.0])
# R40
# Reaction 40
three_body_reaction('H + OH + M <=> H2O + M', [2.200000e+22, -2.0, 0.0],
efficiencies='H2:0.73 C2H6:3.0 H2O:3.65 CH4:2.0')
# R41
# Reaction 41
reaction('H + HO2 <=> O + H2O', [3.970000e+12, 0.0, 671.0])
# R42
# Reaction 42
reaction('H + HO2 <=> O2 + H2', [4.480000e+13, 0.0, 1068.0])
# R43
# Reaction 43
reaction('H + HO2 <=> 2 OH', [8.400000e+13, 0.0, 635.0])
# R44
# Reaction 44
reaction('H + H2O2 <=> HO2 + H2', [1.210000e+07, 2.0, 5200.0])
# R45
# Reaction 45
reaction('H + H2O2 <=> OH + H2O', [1.000000e+13, 0.0, 3600.0])
# R46
# Reaction 46
reaction('H + CH <=> C + H2', [1.650000e+14, 0.0, 0.0])
# R47
# Reaction 47
falloff_reaction('H + CH2 (+ M) <=> CH3 (+ M)',
kf=[6.000000e+14, 0.0, 0.0],
kf0=[1.040000e+26, -2.76, 1600.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.562, T3=91.0, T1=5836.0, T2=8552.0))
# R48
# Reaction 48
reaction('H + CH2(S) <=> CH + H2', [3.000000e+13, 0.0, 0.0])
# R49
# Reaction 49
falloff_reaction('H + CH3 (+ M) <=> CH4 (+ M)',
kf=[1.390000e+16, -0.534, 536.0],
kf0=[2.620000e+33, -4.76, 2440.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:3.0 C2H6:3.0',
falloff=Troe(A=0.783, T3=74.0, T1=2941.0, T2=6964.0))
# R50
# Reaction 50
reaction('H + CH4 <=> CH3 + H2', [6.600000e+08, 1.62, 10840.0])
# R51
# Reaction 51
falloff_reaction('H + HCO (+ M) <=> CH2O (+ M)',
kf=[1.090000e+12, 0.48, -260.0],
kf0=[2.470000e+24, -2.57, 425.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.7824, T3=271.0, T1=2755.0, T2=6570.0))
# R52
# Reaction 52
reaction('H + HCO <=> H2 + CO', [7.340000e+13, 0.0, 0.0])
# R53
# Reaction 53
falloff_reaction('H + CH2O (+ M) <=> CH2OH (+ M)',
kf=[5.400000e+11, 0.454, 3600.0],
kf0=[1.270000e+32, -4.82, 6530.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.7187, T3=103.0, T1=1291.0, T2=4160.0))
# R54
# Reaction 54
falloff_reaction('H + CH2O (+ M) <=> CH3O (+ M)',
kf=[5.400000e+11, 0.454, 2600.0],
kf0=[2.200000e+30, -4.8, 5560.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.758, T3=94.0, T1=1555.0, T2=4200.0))
# R55
# Reaction 55
reaction('H + CH2O <=> HCO + H2', [5.740000e+07, 1.9, 2742.0])
# R56
# Reaction 56
falloff_reaction('H + CH2OH (+ M) <=> CH3OH (+ M)',
kf=[1.055000e+12, 0.5, 86.0],
kf0=[4.360000e+31, -4.65, 5080.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.6, T3=100.0, T1=90000.0, T2=10000.0))
# R57
# Reaction 57
reaction('H + CH2OH <=> H2 + CH2O', [2.000000e+13, 0.0, 0.0])
# R58
# Reaction 58
reaction('H + CH2OH <=> OH + CH3', [1.650000e+11, 0.65, -284.0])
# R59
# Reaction 59
reaction('H + CH2OH <=> CH2(S) + H2O', [3.280000e+13, -0.09, 610.0])
# R60
# Reaction 60
falloff_reaction('H + CH3O (+ M) <=> CH3OH (+ M)',
kf=[2.430000e+12, 0.515, 50.0],
kf0=[4.660000e+41, -7.44, 14080.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.7, T3=100.0, T1=90000.0, T2=10000.0))
# R61
# Reaction 61
reaction('H + CH3O <=> H + CH2OH', [4.150000e+07, 1.63, 1924.0])
# R62
# Reaction 62
reaction('H + CH3O <=> H2 + CH2O', [2.000000e+13, 0.0, 0.0])
# R63
# Reaction 63
reaction('H + CH3O <=> OH + CH3', [1.500000e+12, 0.5, -110.0])
# R64
# Reaction 64
reaction('H + CH3O <=> CH2(S) + H2O', [2.620000e+14, -0.23, 1070.0])
# R65
# Reaction 65
reaction('H + CH3OH <=> CH2OH + H2', [1.700000e+07, 2.1, 4870.0])
# R66
# Reaction 66
reaction('H + CH3OH <=> CH3O + H2', [4.200000e+06, 2.1, 4870.0])
# R67
# Reaction 67
falloff_reaction('H + C2H2 (+ M) <=> C2H3 (+ M)',
kf=[5.600000e+12, 0.0, 2400.0],
kf0=[3.800000e+40, -7.27, 7220.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.7507, T3=98.5, T1=1302.0, T2=4167.0))
# R68
# Reaction 68
falloff_reaction('H + C2H3 (+ M) <=> C2H4 (+ M)',
kf=[6.080000e+12, 0.27, 280.0],
kf0=[1.400000e+30, -3.86, 3320.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.782, T3=207.5, T1=2663.0, T2=6095.0))
# R69
# Reaction 69
reaction('H + C2H3 <=> H2 + C2H2', [3.000000e+13, 0.0, 0.0])
# R70
# Reaction 70
falloff_reaction('H + C2H4 (+ M) <=> C2H5 (+ M)',
kf=[5.400000e+11, 0.454, 1820.0],
kf0=[6.000000e+41, -7.62, 6970.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.9753, T3=210.0, T1=984.0, T2=4374.0))
# R71
# Reaction 71
reaction('H + C2H4 <=> C2H3 + H2', [1.325000e+06, 2.53, 12240.0])
# R72
# Reaction 72
falloff_reaction('H + C2H5 (+ M) <=> C2H6 (+ M)',
kf=[5.210000e+17, -0.99, 1580.0],
kf0=[1.990000e+41, -7.08, 6685.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.8422, T3=125.0, T1=2219.0, T2=6882.0))
# R73
# Reaction 73
reaction('H + C2H5 <=> H2 + C2H4', [2.000000e+12, 0.0, 0.0])
# R74
# Reaction 74
reaction('H + C2H6 <=> C2H5 + H2', [1.150000e+08, 1.9, 7530.0])
# R75
# Reaction 75
reaction('H + HCCO <=> CH2(S) + CO', [1.000000e+14, 0.0, 0.0])
# R76
# Reaction 76
reaction('H + CH2CO <=> HCCO + H2', [5.000000e+13, 0.0, 8000.0])
# R77
# Reaction 77
reaction('H + CH2CO <=> CH3 + CO', [1.130000e+13, 0.0, 3428.0])
# R78
# Reaction 78
falloff_reaction('H2 + CO (+ M) <=> CH2O (+ M)',
kf=[4.300000e+07, 1.5, 79600.0],
kf0=[5.070000e+27, -3.42, 84350.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.932, T3=197.0, T1=1540.0, T2=10300.0))
# R79
# Reaction 79
reaction('OH + H2 <=> H + H2O', [2.160000e+08, 1.51, 3430.0])
# R80
# Reaction 80
falloff_reaction('2 OH (+ M) <=> H2O2 (+ M)',
kf=[7.400000e+13, -0.37, 0.0],
kf0=[2.300000e+18, -0.9, -1700.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.7346, T3=94.0, T1=1756.0, T2=5182.0))
# R81
# Reaction 81
reaction('2 OH <=> O + H2O', [3.570000e+04, 2.4, -2110.0])
# R82
# Reaction 82
reaction('OH + HO2 <=> O2 + H2O', [1.450000e+13, 0.0, -500.0],
options='duplicate')
# R83
# Reaction 83
reaction('OH + H2O2 <=> HO2 + H2O', [2.000000e+12, 0.0, 427.0],
options='duplicate')
# R84
# Reaction 84
reaction('OH + H2O2 <=> HO2 + H2O', [1.700000e+18, 0.0, 29410.0],
options='duplicate')
# R85
# Reaction 85
reaction('OH + C <=> H + CO', [5.000000e+13, 0.0, 0.0])
# R86
# Reaction 86
reaction('OH + CH <=> H + HCO', [3.000000e+13, 0.0, 0.0])
# R87
# Reaction 87
reaction('OH + CH2 <=> H + CH2O', [2.000000e+13, 0.0, 0.0])
# R88
# Reaction 88
reaction('OH + CH2 <=> CH + H2O', [1.130000e+07, 2.0, 3000.0])
# R89
# Reaction 89
reaction('OH + CH2(S) <=> H + CH2O', [3.000000e+13, 0.0, 0.0])
# R90
# Reaction 90
falloff_reaction('OH + CH3 (+ M) <=> CH3OH (+ M)',
kf=[2.790000e+18, -1.43, 1330.0],
kf0=[4.000000e+36, -5.92, 3140.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.412, T3=195.0, T1=5900.0, T2=6394.0))
# R91
# Reaction 91
reaction('OH + CH3 <=> CH2 + H2O', [5.600000e+07, 1.6, 5420.0])
# R92
# Reaction 92
reaction('OH + CH3 <=> CH2(S) + H2O', [6.440000e+17, -1.34, 1417.0])
# R93
# Reaction 93
reaction('OH + CH4 <=> CH3 + H2O', [1.000000e+08, 1.6, 3120.0])
# R94
# Reaction 94
reaction('OH + CO <=> H + CO2', [4.760000e+07, 1.228, 70.0])
# R95
# Reaction 95
reaction('OH + HCO <=> H2O + CO', [5.000000e+13, 0.0, 0.0])
# R96
# Reaction 96
reaction('OH + CH2O <=> HCO + H2O', [3.430000e+09, 1.18, -447.0])
# R97
# Reaction 97
reaction('OH + CH2OH <=> H2O + CH2O', [5.000000e+12, 0.0, 0.0])
# R98
# Reaction 98
reaction('OH + CH3O <=> H2O + CH2O', [5.000000e+12, 0.0, 0.0])
# R99
# Reaction 99
reaction('OH + CH3OH <=> CH2OH + H2O', [1.440000e+06, 2.0, -840.0])
# R100
# Reaction 100
reaction('OH + CH3OH <=> CH3O + H2O', [6.300000e+06, 2.0, 1500.0])
# R101
# Reaction 101
reaction('OH + C2H2 <=> H + CH2CO', [2.180000e-04, 4.5, -1000.0])
# R102
# Reaction 102
reaction('OH + C2H2 <=> CH3 + CO', [4.830000e-04, 4.0, -2000.0])
# R103
# Reaction 103
reaction('OH + C2H3 <=> H2O + C2H2', [5.000000e+12, 0.0, 0.0])
# R104
# Reaction 104
reaction('OH + C2H4 <=> C2H3 + H2O', [3.600000e+06, 2.0, 2500.0])
# R105
# Reaction 105
reaction('OH + C2H6 <=> C2H5 + H2O', [3.540000e+06, 2.12, 870.0])
# R106
# Reaction 106
reaction('OH + CH2CO <=> HCCO + H2O', [7.500000e+12, 0.0, 2000.0])
# R107
# Reaction 107
reaction('2 HO2 <=> O2 + H2O2', [1.300000e+11, 0.0, -1630.0],
options='duplicate')
# R108
# Reaction 108
reaction('2 HO2 <=> O2 + H2O2', [4.200000e+14, 0.0, 12000.0],
options='duplicate')
# R109
# Reaction 109
reaction('HO2 + CH2 <=> OH + CH2O', [2.000000e+13, 0.0, 0.0])
# R110
# Reaction 110
reaction('HO2 + CH3 <=> O2 + CH4', [1.000000e+12, 0.0, 0.0])
# R111
# Reaction 111
reaction('HO2 + CH3 <=> OH + CH3O', [3.780000e+13, 0.0, 0.0])
# R112
# Reaction 112
reaction('HO2 + CO <=> OH + CO2', [1.500000e+14, 0.0, 23600.0])
# R113
# Reaction 113
reaction('HO2 + CH2O <=> HCO + H2O2', [5.600000e+06, 2.0, 12000.0])
# R114
# Reaction 114
reaction('C + O2 <=> O + CO', [5.800000e+13, 0.0, 576.0])
# R115
# Reaction 115
reaction('C + CH3 <=> H + C2H2', [5.000000e+13, 0.0, 0.0])
# R116
# Reaction 116
reaction('CH + O2 <=> O + HCO', [6.710000e+13, 0.0, 0.0])
# R117
# Reaction 117
reaction('CH + H2 <=> H + CH2', [1.080000e+14, 0.0, 3110.0])
# R118
# Reaction 118
reaction('CH + H2O <=> H + CH2O', [5.710000e+12, 0.0, -755.0])
# R119
# Reaction 119
# reaction('CH + CH2 <=> H + C2H2', [4.000000e+13, 0.0, 0.0])
# R120
# Reaction 120
reaction('CH + CH3 <=> H + C2H3', [3.000000e+13, 0.0, 0.0])
# R121
# Reaction 121
reaction('CH + CH4 <=> H + C2H4', [6.000000e+13, 0.0, 0.0])
# R122
# Reaction 122
falloff_reaction('CH + CO (+ M) <=> HCCO (+ M)',
kf=[5.000000e+13, 0.0, 0.0],
kf0=[2.690000e+28, -3.74, 1936.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.5757, T3=237.0, T1=1652.0, T2=5069.0))
# R123
# Reaction 123
reaction('CH + CO2 <=> HCO + CO', [1.900000e+14, 0.0, 15792.0])
# R124
# Reaction 124
reaction('CH + CH2O <=> H + CH2CO', [9.460000e+13, 0.0, -515.0])
# R125
# Reaction 125
# reaction('CH + HCCO <=> CO + C2H2', [5.000000e+13, 0.0, 0.0])
# R126
# Reaction 126
reaction('CH2 + O2 => OH + H + CO', [5.000000e+12, 0.0, 1500.0])
# R127
# Reaction 127
reaction('CH2 + H2 <=> H + CH3', [5.000000e+05, 2.0, 7230.0])
# R128
# Reaction 128
# reaction('2 CH2 <=> H2 + C2H2', [1.600000e+15, 0.0, 11944.0])
# R129
# Reaction 129
reaction('CH2 + CH3 <=> H + C2H4', [4.000000e+13, 0.0, 0.0])
# R130
# Reaction 130
reaction('CH2 + CH4 <=> 2 CH3', [2.460000e+06, 2.0, 8270.0])
# R131
# Reaction 131
falloff_reaction('CH2 + CO (+ M) <=> CH2CO (+ M)',
kf=[8.100000e+11, 0.5, 4510.0],
kf0=[2.690000e+33, -5.11, 7095.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.5907, T3=275.0, T1=1226.0, T2=5185.0))
# R132
# Reaction 132
# reaction('CH2 + HCCO <=> C2H3 + CO', [3.000000e+13, 0.0, 0.0])
# R133
# Reaction 133
reaction('CH2(S) + N2 <=> CH2 + N2', [1.500000e+13, 0.0, 600.0])
# R134
# Reaction 134
reaction('CH2(S) + O2 <=> H + OH + CO', [2.800000e+13, 0.0, 0.0])
# R135
# Reaction 135
reaction('CH2(S) + O2 <=> CO + H2O', [1.200000e+13, 0.0, 0.0])
# R136
# Reaction 136
reaction('CH2(S) + H2 <=> CH3 + H', [7.000000e+13, 0.0, 0.0])
# R137
# Reaction 137
falloff_reaction('CH2(S) + H2O (+ M) <=> CH3OH (+ M)',
kf=[4.820000e+17, -1.16, 1145.0],
kf0=[1.880000e+38, -6.36, 5040.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.6027, T3=208.0, T1=3922.0, T2=10180.0))
# R138
# Reaction 138
reaction('CH2(S) + H2O <=> CH2 + H2O', [3.000000e+13, 0.0, 0.0])
# R139
# Reaction 139
reaction('CH2(S) + CH3 <=> H + C2H4', [1.200000e+13, 0.0, -570.0])
# R140
# Reaction 140
reaction('CH2(S) + CH4 <=> 2 CH3', [1.600000e+13, 0.0, -570.0])
# R141
# Reaction 141
reaction('CH2(S) + CO <=> CH2 + CO', [9.000000e+12, 0.0, 0.0])
# R142
# Reaction 142
reaction('CH2(S) + CO2 <=> CH2 + CO2', [7.000000e+12, 0.0, 0.0])
# R143
# Reaction 143
reaction('CH2(S) + CO2 <=> CO + CH2O', [1.400000e+13, 0.0, 0.0])
# R144
# Reaction 144
reaction('CH2(S) + C2H6 <=> CH3 + C2H5', [4.000000e+13, 0.0, -550.0])
# R145
# Reaction 145
reaction('CH3 + O2 <=> O + CH3O', [3.560000e+13, 0.0, 30480.0])
# R146
# Reaction 146
reaction('CH3 + O2 <=> OH + CH2O', [2.310000e+12, 0.0, 20315.0])
# R147
# Reaction 147
reaction('CH3 + H2O2 <=> HO2 + CH4', [2.450000e+04, 2.47, 5180.0])
# R148
# Reaction 148
falloff_reaction('2 CH3 (+ M) <=> C2H6 (+ M)',
kf=[6.770000e+16, -1.18, 654.0],
kf0=[3.400000e+41, -7.03, 2762.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.619, T3=73.2, T1=1180.0, T2=9999.0))
# R149
# Reaction 149
reaction('2 CH3 <=> H + C2H5', [6.840000e+12, 0.1, 10600.0])
# R150
# Reaction 150
reaction('CH3 + HCO <=> CH4 + CO', [2.648000e+13, 0.0, 0.0])
# R151
# Reaction 151
reaction('CH3 + CH2O <=> HCO + CH4', [3.320000e+03, 2.81, 5860.0])
# R152
# Reaction 152
reaction('CH3 + CH3OH <=> CH2OH + CH4', [3.000000e+07, 1.5, 9940.0])
# R153
# Reaction 153
reaction('CH3 + CH3OH <=> CH3O + CH4', [1.000000e+07, 1.5, 9940.0])
# R154
# Reaction 154
reaction('CH3 + C2H4 <=> C2H3 + CH4', [2.270000e+05, 2.0, 9200.0])
# R155
# Reaction 155
reaction('CH3 + C2H6 <=> C2H5 + CH4', [6.140000e+06, 1.74, 10450.0])
# R156
# Reaction 156
reaction('HCO + H2O <=> H + CO + H2O', [1.500000e+18, -1.0, 17000.0])
# R157
# Reaction 157
three_body_reaction('HCO + M <=> H + CO + M', [1.870000e+17, -1.0, 17000.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:0.0 CH4:2.0 C2H6:3.0')
# R158
# Reaction 158
reaction('HCO + O2 <=> HO2 + CO', [1.345000e+13, 0.0, 400.0])
# R159
# Reaction 159
reaction('CH2OH + O2 <=> HO2 + CH2O', [1.800000e+13, 0.0, 900.0])
# R160
# Reaction 160
reaction('CH3O + O2 <=> HO2 + CH2O', [4.280000e-13, 7.6, -3530.0])
# R161
# Reaction 161
reaction('C2H3 + O2 <=> HCO + CH2O', [4.580000e+16, -1.39, 1015.0])
# R162
# Reaction 162
falloff_reaction('C2H4 (+ M) <=> H2 + C2H2 (+ M)',
kf=[8.000000e+12, 0.44, 86770.0],
kf0=[1.580000e+51, -9.3, 97800.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.7345, T3=180.0, T1=1035.0, T2=5417.0))
# R163
# Reaction 163
reaction('C2H5 + O2 <=> HO2 + C2H4', [8.400000e+11, 0.0, 3875.0])
# R164
# Reaction 164
reaction('HCCO + O2 <=> OH + 2 CO', [3.200000e+12, 0.0, 854.0])
# R165
# Reaction 165
# reaction('2 HCCO <=> 2 CO + C2H2', [1.000000e+13, 0.0, 0.0])
# R166
# Reaction 166
reaction('O + CH3 => H + H2 + CO', [3.370000e+13, 0.0, 0.0])
# R167
# Reaction 167
reaction('O + C2H4 <=> H + CH2CHO', [6.700000e+06, 1.83, 220.0])
# R168
# Reaction 168
reaction('OH + HO2 <=> O2 + H2O', [5.000000e+15, 0.0, 17330.0],
options='duplicate')
# R169
# Reaction 169
reaction('OH + CH3 => H2 + CH2O', [8.000000e+09, 0.5, -1755.0])
# R170
# Reaction 170
falloff_reaction('CH + H2 (+ M) <=> CH3 (+ M)',
kf=[1.970000e+12, 0.43, -370.0],
kf0=[4.820000e+25, -2.8, 590.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.578, T3=122.0, T1=2535.0, T2=9365.0))
# R171
# Reaction 171
reaction('CH2 + O2 => 2 H + CO2', [5.800000e+12, 0.0, 1500.0])
# R172
# Reaction 172
reaction('CH2 + O2 <=> O + CH2O', [2.400000e+12, 0.0, 1500.0])
# R173
# Reaction 173
# reaction('CH2 + CH2 => 2 H + C2H2', [2.000000e+14, 0.0, 10989.0])
# R174
# Reaction 174
reaction('CH2(S) + H2O => H2 + CH2O', [6.820000e+10, 0.25, -935.0])
# R175
# Reaction 175
reaction('C2H3 + O2 <=> O + CH2CHO', [3.030000e+11, 0.29, 11.0])
# R176
# Reaction 176
reaction('C2H3 + O2 <=> HO2 + C2H2', [1.337000e+06, 1.61, -384.0])
# R177
# Reaction 177
falloff_reaction('H + CH2CO (+ M) <=> CH2CHO (+ M)',
kf=[4.865000e+11, 0.422, -1755.0],
kf0=[1.012000e+42, -7.63, 3854.0],
efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 CH4:2.0 C2H6:3.0',
falloff=Troe(A=0.465, T3=201.0, T1=1773.0, T2=5333.0))
# R178
# Reaction 178
reaction('O + CH2CHO => H + CH2 + CO2', [1.500000e+14, 0.0, 0.0])
# R179
# Reaction 179
reaction('O2 + CH2CHO => OH + CO + CH2O', [1.810000e+10, 0.0, 0.0])
# R180
# Reaction 180
reaction('O2 + CH2CHO => OH + 2 HCO', [2.350000e+10, 0.0, 0.0])
# R181
# Reaction 181
reaction('H + CH2CHO <=> CH3 + HCO', [2.200000e+13, 0.0, 0.0])
# R182
# Reaction 182
reaction('H + CH2CHO <=> CH2CO + H2', [1.100000e+13, 0.0, 0.0])
# R183
# Reaction 183
reaction('OH + CH2CHO <=> H2O + CH2CO', [1.200000e+13, 0.0, 0.0])
# R184
# Reaction 184
# reaction('OH + CH2CHO <=> HCO + CH2OH', [3.010000e+13, 0.0, 0.0])