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cantera/data/inputs/nDodecane_Reitz.cti
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"""
Real gas n-dodecane-PAH mechanism.
Mechanism reported in ‘Development of a reduced n-dodecane-PAH mechanism and its
Application for n-dodecane Soot Predictions’. Hu Wang, Youngchul Ra, Ming Jia
and Rolf. D. Reitz. Fuel 136 (2014), p 25-36. doi:10.1016/j.fuel.2014.07.028
100 species and 432 reactions
Redlich-Kwong coefficients are based on tabulated critical properties or
estimated according to the method of Joback and Reid, "Estimation of pure-
component properties from group-contributions," Chem. Eng. Comm. 57 (1987)
233-243
"""
units(length='cm', time='s', quantity='mol', act_energy='cal/mol')
RedlichKwongMFTP(name="nDodecane_RK",
elements="H C O N",
species="""c12h26 o2 n2 co2
h2o co h2 oh
h2o2 ho2 h o
ch3o ch2o hco ch2
ch3 ch4 c2h2 c2h3
c12h25 c12h25o2 c12ket c10h21
c10h21o2 c10ket2-1 c7h15-2 c7h15o2
nc7ket23 c7h15o2h c7h14ooh o2c7h14ooh
c7h15cho c7h15co c6h13cho c6h13co
c6h13 c6h13o2 c6h13o c6h12
c6h12ooh c6h12ooho2 c6ket24 c6h12o
c6h112-4 c6h11o2-4 c5h11 c5h10
c5h9 c4h9co c4h9 c4h9o2
c4h8ooh c4h8ooho2 c4ket23 c4h8
c4h7 c4h7o c3h7cho c3h7
c3h6 c3h5 c3h7o2 c3h6ooh
c3h7o c3h6cho c2h5cho c2h5co
c2h3cho c2h4 c2h5 ch3o2
ch2co ch2cho ch3co ch3cho
ch3oh ch2oh ch3oco hcco
c2h c3h2 c3h3 c4h2
c4h3 c4h4 c4h5 c5h5
c6h5o A1- A1c2h- A1c2h
A1c2h3 A2- A2r5 A3-
A1 A2 A3 A4""",
activity_coefficients = ( pureFluidParameters(species="c12h26", a_coeff = [ 1.80382E+14, 0], b_coeff = 259.6081315),
pureFluidParameters(species="o2", a_coeff = [ 1.74102E+12, 0], b_coeff = 22.08100907),
pureFluidParameters(species="n2", a_coeff = [ 1.55976E+12, 0], b_coeff = 26.81724983),
pureFluidParameters(species="co2", a_coeff = [ 6.45449E+12, 0], b_coeff = 29.65304882),
pureFluidParameters(species="h2o", a_coeff = [ 1.42674E+13, 0], b_coeff = 21.12705912),
pureFluidParameters(species="co", a_coeff = [ 1.73552E+12, 0], b_coeff = 27.45632244),
pureFluidParameters(species="h2", a_coeff = [ 1.43319E+11, 0], b_coeff = 18.42802577),
pureFluidParameters(species="oh", a_coeff = [ 4.77552E+11, 0], b_coeff = 10.72986231),
pureFluidParameters(species="h2o2", a_coeff = [ 1.46652E+12, 0], b_coeff = 21.27344867),
pureFluidParameters(species="ho2", a_coeff = [ 1.46652E+12, 0], b_coeff = 21.27344867),
pureFluidParameters(species="h", a_coeff = [ 1.32125E+11, 0], b_coeff = 17.63395812),
pureFluidParameters(species="o", a_coeff = [ 4.74173E+11, 0], b_coeff = 10.69952492),
pureFluidParameters(species="ch3o", a_coeff = [ 2.24405E+13, 0], b_coeff = 47.07629651),
pureFluidParameters(species="ch2o", a_coeff = [ 1.45941E+13, 0], b_coeff = 44.02007684),
pureFluidParameters(species="hco", a_coeff = [ 1.63983E+13, 0], b_coeff = 23.81859345),
pureFluidParameters(species="ch2", a_coeff = [ 2.75581E+12, 0], b_coeff = 19.7057265),
pureFluidParameters(species="ch3", a_coeff = [ 3.2756E+11, 0], b_coeff = 8.794496085),
pureFluidParameters(species="ch4", a_coeff = [ 3.22224E+12, 0], b_coeff = 29.84830308),
pureFluidParameters(species="c2h2", a_coeff = [ 7.94927E+12, 0], b_coeff = 35.63805955),
pureFluidParameters(species="c2h3", a_coeff = [ 6.61037E+12, 0], b_coeff = 32.28886341),
pureFluidParameters(species="c12h25", a_coeff = [ 1.80382E+14, 0], b_coeff = 259.6081315),
pureFluidParameters(species="c12h25o2", a_coeff = [ 2.06567E+14, 0], b_coeff = 282.492007),
pureFluidParameters(species="c12ket", a_coeff = [ 2.35678E+14, 0], b_coeff = 277.1449604),
pureFluidParameters(species="c10h21", a_coeff = [ 1.28013E+14, 0], b_coeff = 203.7029323),
pureFluidParameters(species="c10h21o2", a_coeff = [ 1.49659E+14, 0], b_coeff = 220.5720102),
pureFluidParameters(species="c10ket2-1", a_coeff = [ 2.23259E+14, 0], b_coeff = 243.0968875),
pureFluidParameters(species="c7h15-2", a_coeff = [ 6.24018E+13, 0], b_coeff = 127.2374811),
pureFluidParameters(species="c7h15o2", a_coeff = [ 8.94933E+13, 0], b_coeff = 153.4268678),
pureFluidParameters(species="nc7ket23", a_coeff = [ 1.042E+14, 0], b_coeff = 157.7276549),
pureFluidParameters(species="c7h15o2h", a_coeff = [ 1.29474E+14, 0], b_coeff = 173.3801869),
pureFluidParameters(species="c7h14ooh", a_coeff = [ 1.05956E+14, 0], b_coeff = 145.1086104),
pureFluidParameters(species="o2c7h14ooh", a_coeff = [ 1.14972E+14, 0], b_coeff = 166.7180412),
pureFluidParameters(species="c7h15cho", a_coeff = [ 1.0389E+14, 0], b_coeff = 163.5933976),
pureFluidParameters(species="c7h15co", a_coeff = [ 1.03983E+14, 0], b_coeff = 169.4819946),
pureFluidParameters(species="c6h13cho", a_coeff = [ 1.00411E+14, 0], b_coeff = 151.7002463),
pureFluidParameters(species="c6h13co", a_coeff = [ 7.94079E+13, 0], b_coeff = 128.0328972),
pureFluidParameters(species="c6h13", a_coeff = [ 4.96615E+13, 0], b_coeff = 109.4937722),
pureFluidParameters(species="c6h13o2", a_coeff = [ 1.25841E+14, 0], b_coeff = 174.9095644),
pureFluidParameters(species="c6h13o", a_coeff = [ 7.94158E+13, 0], b_coeff = 128.48674),
pureFluidParameters(species="c6h12", a_coeff = [ 5.45317E+13, 0], b_coeff = 115.9200223),
pureFluidParameters(species="c6h12ooh", a_coeff = [ 4.17608E+13, 0], b_coeff = 91.87144859),
pureFluidParameters(species="c6h12ooho2", a_coeff = [ 3.29773E+13, 0], b_coeff = 98.98938269),
pureFluidParameters(species="c6ket24", a_coeff = [ 7.91415E+13, 0], b_coeff = 130.8924825),
pureFluidParameters(species="c6h12o", a_coeff = [ 7.74058E+13, 0], b_coeff = 120.7244536),
pureFluidParameters(species="c6h112-4", a_coeff = [ 5.45317E+13, 0], b_coeff = 115.9200223),
pureFluidParameters(species="c6h11o2-4", a_coeff = [ 7.71076E+13, 0], b_coeff = 138.4761998),
pureFluidParameters(species="c5h11", a_coeff = [ 3.92584E+13, 0], b_coeff = 93.14332297),
pureFluidParameters(species="c5h10", a_coeff = [ 4.01549E+13, 0], b_coeff = 94.11205667),
pureFluidParameters(species="c5h9", a_coeff = [ 3.9466E+13, 0], b_coeff = 89.81774277),
pureFluidParameters(species="c4h9co", a_coeff = [ 5.97553E+13, 0], b_coeff = 109.5584495),
pureFluidParameters(species="c4h9", a_coeff = [ 2.35768E+13, 0], b_coeff = 60.53064575),
pureFluidParameters(species="c4h9o2", a_coeff = [ 6.85295E+13, 0], b_coeff = 94.20200585),
pureFluidParameters(species="c4h8ooh", a_coeff = [ 4.91741E+13, 0], b_coeff = 89.96599408),
pureFluidParameters(species="c4h8ooho2", a_coeff = [ 8.44273E+13, 0], b_coeff = 87.64124475),
pureFluidParameters(species="c4ket23", a_coeff = [ 9.05038E+13, 0], b_coeff = 108.0971033),
pureFluidParameters(species="c4h8", a_coeff = [ 3.09401E+13, 0], b_coeff = 76.74950205),
pureFluidParameters(species="c4h7", a_coeff = [ 2.70661E+13, 0], b_coeff = 70.180761),
pureFluidParameters(species="c4h7o", a_coeff = [ 3.11393E+13, 0], b_coeff = 68.71205132),
pureFluidParameters(species="c3h7cho", a_coeff = [ 2.41781E+13, 0], b_coeff = 60.8430012),
pureFluidParameters(species="c3h7", a_coeff = [ 6.88167E+13, 0], b_coeff = 240.9532763),
pureFluidParameters(species="c3h6", a_coeff = [ 1.6317E+13, 0], b_coeff = 57.03566642),
pureFluidParameters(species="c3h5", a_coeff = [ 1.98405E+13, 0], b_coeff = 56.34841935),
pureFluidParameters(species="c3h7o2", a_coeff = [ 3.79642E+13, 0], b_coeff = 87.72079562),
pureFluidParameters(species="c3h6ooh", a_coeff = [ 3.86694E+13, 0], b_coeff = 75.80816782),
pureFluidParameters(species="c3h7o", a_coeff = [ 2.72936E+13, 0], b_coeff = 72.65096686),
pureFluidParameters(species="c3h6cho", a_coeff = [ 4.76362E+13, 0], b_coeff = 93.3868734),
pureFluidParameters(species="c2h5cho", a_coeff = [ 2.8142E+13, 0], b_coeff = 58.64230248),
pureFluidParameters(species="c2h5co", a_coeff = [ 3.65918E+13, 0], b_coeff = 77.87640916),
pureFluidParameters(species="c2h3cho", a_coeff = [ 3.02859E+13, 0], b_coeff = 68.14362251),
pureFluidParameters(species="c2h4", a_coeff = [ 7.77832E+12, 0], b_coeff = 39.86695687),
pureFluidParameters(species="c2h5", a_coeff = [ 9.68507E+12, 0], b_coeff = 44.83124426),
pureFluidParameters(species="ch3o2", a_coeff = [ 4.26457E+13, 0], b_coeff = 72.90474159),
pureFluidParameters(species="ch2co", a_coeff = [ 1.81626E+13, 0], b_coeff = 32.21110596),
pureFluidParameters(species="ch2cho", a_coeff = [ 1.81626E+13, 0], b_coeff = 32.21110596),
pureFluidParameters(species="ch3co", a_coeff = [ 1.81626E+13, 0], b_coeff = 32.21110596),
pureFluidParameters(species="ch3cho", a_coeff = [ 1.81626E+13, 0], b_coeff = 32.21110596),
pureFluidParameters(species="ch3oh", a_coeff = [ 4.9556E+13, 0], b_coeff = 75.65835811),
pureFluidParameters(species="ch2oh", a_coeff = [ 2.24405E+13, 0], b_coeff = 47.07629651),
pureFluidParameters(species="ch3oco", a_coeff = [ 4.31129E+13, 0], b_coeff = 72.77314992),
pureFluidParameters(species="hcco", a_coeff = [ 2.21276E+13, 0], b_coeff = 52.05093394),
pureFluidParameters(species="c2h", a_coeff = [ 2.69817E+13, 0], b_coeff = 93.92760616),
pureFluidParameters(species="c3h2", a_coeff = [ 1.94361E+13, 0], b_coeff = 51.64190927),
pureFluidParameters(species="c3h3", a_coeff = [ 1.63718E+13, 0], b_coeff = 43.72877785),
pureFluidParameters(species="c4h2", a_coeff = [ 2.25395E+13, 0], b_coeff = 56.18454837),
pureFluidParameters(species="c4h3", a_coeff = [ 2.41062E+13, 0], b_coeff = 60.75021074),
pureFluidParameters(species="c4h4", a_coeff = [ 2.70968E+13, 0], b_coeff = 66.59007064),
pureFluidParameters(species="c4h5", a_coeff = [ 2.63939E+13, 0], b_coeff = 65.77513207),
pureFluidParameters(species="c5h5", a_coeff = [ 3.2954E+13, 0], b_coeff = 74.39744287),
pureFluidParameters(species="c6h5o", a_coeff = [ 6.11711E+13, 0], b_coeff = 81.55556057),
pureFluidParameters(species="A1-", a_coeff = [ 4.52523E+13, 0], b_coeff = 82.7907921),
pureFluidParameters(species="A1c2h-", a_coeff = [ 7.38202E+13, 0], b_coeff = 107.2339273),
pureFluidParameters(species="A1c2h", a_coeff = [ 7.38202E+13, 0], b_coeff = 107.2339273),
pureFluidParameters(species="A1c2h3", a_coeff = [ 7.57654E+13, 0], b_coeff = 120.4713457),
pureFluidParameters(species="A2-", a_coeff = [ 1.17857E+14, 0], b_coeff = 140.2420796),
pureFluidParameters(species="A2r5", a_coeff = [ 1.65468E+14, 0], b_coeff = 176.585704),
pureFluidParameters(species="A3-", a_coeff = [ 2.19932E+14, 0], b_coeff = 205.3538241),
pureFluidParameters(species="A1", a_coeff = [ 4.52523E+13, 0], b_coeff = 82.7907921),
pureFluidParameters(species="A2", a_coeff = [ 1.11864E+14, 0], b_coeff = 133.3394554),
pureFluidParameters(species="A3", a_coeff = [ 2.19932E+14, 0], b_coeff = 205.3538241),
pureFluidParameters(species="A4", a_coeff = [ 3.02221E+14, 0], b_coeff = 256.4351144)),
reactions='all',
initial_state=state(temperature=300.0, pressure=OneAtm))
ideal_gas(name="nDodecane_IG",
elements="H C O N",
species="""c12h26 o2 n2 co2
h2o co h2 oh
h2o2 ho2 h o
ch3o ch2o hco ch2
ch3 ch4 c2h2 c2h3
c12h25 c12h25o2 c12ket c10h21
c10h21o2 c10ket2-1 c7h15-2 c7h15o2
nc7ket23 c7h15o2h c7h14ooh o2c7h14ooh
c7h15cho c7h15co c6h13cho c6h13co
c6h13 c6h13o2 c6h13o c6h12
c6h12ooh c6h12ooho2 c6ket24 c6h12o
c6h112-4 c6h11o2-4 c5h11 c5h10
c5h9 c4h9co c4h9 c4h9o2
c4h8ooh c4h8ooho2 c4ket23 c4h8
c4h7 c4h7o c3h7cho c3h7
c3h6 c3h5 c3h7o2 c3h6ooh
c3h7o c3h6cho c2h5cho c2h5co
c2h3cho c2h4 c2h5 ch3o2
ch2co ch2cho ch3co ch3cho
ch3oh ch2oh ch3oco hcco
c2h c3h2 c3h3 c4h2
c4h3 c4h4 c4h5 c5h5
c6h5o A1- A1c2h- A1c2h
A1c2h3 A2- A2r5 A3-
A1 A2 A3 A4""",
reactions='all',
initial_state=state(temperature=300.0, pressure=OneAtm))
#-------------------------------------------------------------------------------
# Species data
#-------------------------------------------------------------------------------
species(name='c12h26',
atoms='C:12 H:26',
thermo=(NASA([300.00, 1391.00],
[-2.62181594E+00, 1.47237711E-01, -9.43970271E-05,
3.07441268E-08, -4.03602230E-12, -4.00654253E+04,
5.00994626E+01]),
NASA([1391.00, 5000.00],
[ 3.85095037E+01, 5.63550048E-02, -1.91493200E-05,
2.96024862E-09, -1.71244150E-13, -5.48843465E+04,
-1.72670922E+02])),
note='-therm')
species(name='o2',
atoms='O:2',
thermo=(NASA([300.00, 1000.00],
[ 3.21293600E+00, 1.12748600E-03, -5.75615000E-07,
1.31387700E-09, -8.76855400E-13, -1.00524900E+03,
6.03473800E+00]),
NASA([1000.00, 5000.00],
[ 3.69757800E+00, 6.13519700E-04, -1.25884200E-07,
1.77528100E-11, -1.13643500E-15, -1.23393000E+03,
3.18916600E+00])),
note='121386')
species(name='n2',
atoms='N:2',
thermo=(NASA([300.00, 1000.00],
[ 3.29867700E+00, 1.40824000E-03, -3.96322200E-06,
5.64151500E-09, -2.44485500E-12, -1.02090000E+03,
3.95037200E+00]),
NASA([1000.00, 5000.00],
[ 2.92664000E+00, 1.48797700E-03, -5.68476100E-07,
1.00970400E-10, -6.75335100E-15, -9.22797700E+02,
5.98052800E+00])),
note='121286')
species(name='co2',
atoms='C:1 O:2',
thermo=(NASA([300.00, 1000.00],
[ 2.27572500E+00, 9.92207200E-03, -1.04091100E-05,
6.86668700E-09, -2.11728000E-12, -4.83731400E+04,
1.01884900E+01]),
NASA([1000.00, 5000.00],
[ 4.45362300E+00, 3.14016900E-03, -1.27841100E-06,
2.39399700E-10, -1.66903300E-14, -4.89669600E+04,
-9.55395900E-01])),
note='121286')
species(name='h2o',
atoms='H:2 O:1',
thermo=(NASA([300.00, 1000.00],
[ 3.38684200E+00, 3.47498200E-03, -6.35469600E-06,
6.96858100E-09, -2.50658800E-12, -3.02081100E+04,
2.59023300E+00]),
NASA([1000.00, 5000.00],
[ 2.67214600E+00, 3.05629300E-03, -8.73026000E-07,
1.20099600E-10, -6.39161800E-15, -2.98992100E+04,
6.86281700E+00])),
note='-20387')
species(name='co',
atoms='C:1 O:1',
thermo=(NASA([300.00, 1000.00],
[ 3.26245200E+00, 1.51194100E-03, -3.88175500E-06,
5.58194400E-09, -2.47495100E-12, -1.43105400E+04,
4.84889700E+00]),
NASA([1000.00, 5000.00],
[ 3.02507800E+00, 1.44268900E-03, -5.63082800E-07,
1.01858100E-10, -6.91095200E-15, -1.42683500E+04,
6.10821800E+00])),
note='121286')
species(name='h2',
atoms='H:2',
thermo=(NASA([300.00, 1000.00],
[ 3.29812400E+00, 8.24944200E-04, -8.14301500E-07,
-9.47543400E-11, 4.13487200E-13, -1.01252100E+03,
-3.29409400E+00]),
NASA([1000.00, 5000.00],
[ 2.99142300E+00, 7.00064400E-04, -5.63382900E-08,
-9.23157800E-12, 1.58275200E-15, -8.35034000E+02,
-1.35511000E+00])),
note='121286')
species(name='oh',
atoms='H:1 O:1',
thermo=(NASA([300.00, 1357.00],
[ 3.43586219E+00, 2.02235804E-04, -1.13546412E-07,
2.42445149E-10, -7.43651031E-14, 3.74321252E+03,
2.45014127E+00]),
NASA([1357.00, 5000.00],
[ 2.62599754E+00, 1.31992406E-03, -3.59724670E-07,
4.25630800E-11, -1.82048016E-15, 4.12085374E+03,
7.10667307E+00])),
note='-therm')
species(name='h2o2',
atoms='H:2 O:2',
thermo=(NASA([300.00, 1000.00],
[ 3.38875400E+00, 6.56922600E-03, -1.48501300E-07,
-4.62580600E-09, 2.47151500E-12, -1.76631500E+04,
6.78536300E+00]),
NASA([1000.00, 5000.00],
[ 4.57316700E+00, 4.33613600E-03, -1.47468900E-06,
2.34890400E-10, -1.43165400E-14, -1.80069600E+04,
5.01137000E-01])),
note='120186')
species(name='ho2',
atoms='H:1 O:2',
thermo=(NASA([300.00, 1390.00],
[ 3.18310656E+00, 3.66767950E-03, -9.32385122E-07,
-3.25852919E-10, 1.51139912E-13, 8.09181013E+02,
8.39371099E+00]),
NASA([1390.00, 5000.00],
[ 4.10547423E+00, 2.38452835E-03, -8.06347989E-07,
1.24191723E-10, -7.16400108E-15, 3.98127689E+02,
3.12515836E+00])),
note='-therm')
species(name='h',
atoms='H:1',
thermo=(NASA([300.00, 1000.00],
[ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00,
0.00000000E+00, 0.00000000E+00, 2.54716300E+04,
-4.60117600E-01]),
NASA([1000.00, 5000.00],
[ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00,
0.00000000E+00, 0.00000000E+00, 2.54716300E+04,
-4.60117600E-01])),
note='120186')
species(name='o',
atoms='O:1',
thermo=(NASA([300.00, 1000.00],
[ 2.94642900E+00, -1.63816600E-03, 2.42103200E-06,
-1.60284300E-09, 3.89069600E-13, 2.91476400E+04,
2.96399500E+00]),
NASA([1000.00, 5000.00],
[ 2.54206000E+00, -2.75506200E-05, -3.10280300E-09,
4.55106700E-12, -4.36805200E-16, 2.92308000E+04,
4.92030800E+00])),
note='120186')
species(name='ch3o',
atoms='C:1 H:3 O:1',
thermo=(NASA([300.00, 1000.00],
[ 2.10620400E+00, 7.21659500E-03, 5.33847200E-06,
-7.37763600E-09, 2.07561100E-12, 9.78601100E+02,
1.31521800E+01]),
NASA([1000.00, 3000.00],
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note='121686')
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species(name='c6h5o',
atoms='H:5 C:6 O:1',
thermo=(NASA([200.00, 1000.00],
[-4.66204455E-01, 4.13443975E-02, 1.32412991E-05,
-5.72872769E-08, 2.89763707E-11, 4.77858391E+03,
2.76990274E+01]),
NASA([1000.00, 6000.00],
[ 1.37221720E+01, 1.74688771E-02, -6.35504520E-06,
1.03492308E-09, -6.23410504E-14, 2.87274751E+02,
-4.88181680E+01])),
note='phenoxyt05/02')
species(name='A1-',
atoms='H:5 C:6',
thermo=(NASA([200.00, 1000.00],
[ 2.10306633E-01, 2.04745507E-02, 5.89743006E-05,
-1.01534255E-07, 4.47105660E-11, 3.95468722E+04,
2.52910455E+01]),
NASA([1000.00, 6000.00],
[ 1.08444762E+01, 1.73212473E-02, -6.29233249E-06,
1.02369961E-09, -6.16216828E-14, 3.55598475E+04,
-3.53735134E+01])),
note='phenylradt04/02')
species(name='A1c2h-',
atoms='H:5 C:8',
thermo=(NASA([300.00, 1000.00],
[-4.44958590E+00, 7.69950670E-02, -6.66170380E-05,
2.50386820E-08, -1.97566010E-12, 6.52259260E+04,
4.44279480E+01]),
NASA([1000.00, 3000.00],
[ 1.23595010E+01, 2.54533570E-02, -1.06065540E-05,
1.89146030E-09, -1.06306220E-13, 6.09304610E+04,
-4.09002080E+01])),
note='c6h4cchh6w/94')
species(name='A1c2h',
atoms='H:6 C:8',
thermo=(NASA([200.00, 1000.00],
[-2.74707918E+00, 7.78284438E-02, -6.69709932E-05,
2.37972496E-08, -8.43279765E-13, 3.61131008E+04,
3.54221257E+01]),
NASA([1000.00, 6000.00],
[ 1.63582907E+01, 2.11974105E-02, -7.65817215E-06,
1.24134505E-09, -7.45327960E-14, 3.10375340E+04,
-6.22520227E+01])),
note='c6h5ccht12/06')
species(name='A1c2h3',
atoms='H:8 C:8',
thermo=(NASA([298.15, 1000.00],
[-1.07177080E+01, 1.26667250E-01, -1.77624930E-04,
1.43440490E-07, -4.76165770E-11, 1.65971330E+04,
7.15263310E+01]),
NASA([1000.00, 5000.00],
[ 1.61392770E+01, 2.42108470E-02, -7.26783590E-06,
1.13922760E-09, -7.29848810E-14, 1.02492510E+04,
-6.11694370E+01])),
note='t12/94')
species(name='A2-',
atoms='H:7 C:10',
thermo=(NASA([200.00, 1000.00],
[-1.89559772E+00, 5.83077290E-02, 2.79388931E-05,
-9.14375172E-08, 4.46422302E-11, 4.55409775E+04,
3.52453263E+01]),
NASA([1000.00, 6000.00],
[ 1.83535073E+01, 2.77474314E-02, -1.00885968E-05,
1.64229575E-09, -9.89002001E-14, 3.89261241E+04,
-7.48978150E+01])),
note='naphtylradt7/98')
species(name='A2r5',
atoms='H:8 C:12',
thermo=(NASA([300.00, 1000.00],
[-2.81264181E+00, 7.04681002E-02, 3.15341955E-05,
-1.05176189E-07, 5.08713845E-11, 2.88462829E+04,
3.75755975E+01]),
NASA([1000.00, 5000.00],
[ 1.93183637E+01, 3.90205238E-02, -1.63352587E-05,
3.10041991E-09, -2.19199281E-13, 2.15445149E+04,
-8.32372261E+01])),
note='acenaphtht12/00')
species(name='A3-',
atoms='H:9 C:14',
thermo=(NASA([298.15, 1000.00],
[-1.08929968E+01, 1.41537035E-01, -1.14205532E-04,
3.57710437E-08, 0.00000000E+00, 5.21136455E+04,
7.37137024E+01]),
NASA([1000.00, 5000.00],
[ 2.68173412E+01, 3.76935761E-02, -1.45586251E-05,
2.58486800E-09, -1.73198001E-13, 4.14405846E+04,
-1.21547559E+02])),
note='4-phenantrt11/07')
species(name='A1',
atoms='H:6 C:6',
thermo=(NASA([200.00, 1000.00],
[ 5.04818632E-01, 1.85020642E-02, 7.38345881E-05,
-1.18135741E-07, 5.07210429E-11, 8.55247913E+03,
2.16412893E+01]),
NASA([1000.00, 6000.00],
[ 1.10809576E+01, 2.07176746E-02, -7.52145991E-06,
1.22320984E-09, -7.36091279E-14, 4.30641035E+03,
-4.00413310E+01])),
note='benzeneg6/01')
species(name='A2',
atoms='H:8 C:10',
thermo=(NASA([200.00, 1000.00],
[-1.04919475E+00, 4.62970781E-02, 7.07591636E-05,
-1.38408111E-07, 6.20475407E-11, 1.59848987E+04,
3.02121626E+01]),
NASA([1000.00, 6000.00],
[ 1.86129884E+01, 3.04494175E-02, -1.11224825E-05,
1.81615474E-09, -1.09601281E-13, 8.91578988E+03,
-8.00230396E+01])),
note='naphthalenet7/98')
species(name='A3',
atoms='H:10 C:14',
thermo=(NASA([200.00, 1000.00],
[-3.36467170E+00, 8.50732710E-02, 3.75311100E-05,
-1.26644990E-07, 6.14457050E-11, 2.20198780E+04,
4.05962180E+01]),
NASA([1000.00, 6000.00],
[ 2.66024740E+01, 3.97697440E-02, -1.45720260E-05,
2.38432960E-09, -1.44095480E-13, 1.21328380E+04,
-1.22666720E+02])),
note='phenanthret1/94')
species(name='A4',
atoms='H:10 C:16',
thermo=(NASA([200.00, 1000.00],
[-4.04203210E+00, 9.15496570E-02, 5.14433440E-05,
-1.52765760E-07, 7.30875300E-11, 2.40942410E+04,
4.36653120E+01]),
NASA([1000.00, 6000.00],
[ 2.99100140E+01, 4.26680690E-02, -1.57338340E-05,
2.58517250E-09, -1.56679800E-13, 1.27864910E+04,
-1.41869530E+02])),
note='pyrenet10/96')
#-------------------------------------------------------------------------------
# Reaction data
#-------------------------------------------------------------------------------
# Reaction 1
reaction('c12h26 + h => c12h25 + h2', [9.000000e+05, 2.4, 4471.0])
# Reaction 2
reaction('c12h25 + h2 => c12h26 + h', [3.930000e+03, 2.7, 11260.0])
# Reaction 3
reaction('c12h26 + oh => c12h25 + h2o', [4.700000e+07, 1.6, -35.0])
# Reaction 4
reaction('c12h25 + h2o => c12h26 + oh', [6.150000e+05, 1.9, 21910.0])
# Reaction 5
reaction('c12h26 + o => c12h25 + oh', [9.540000e+04, 2.7, 2106.0])
# Reaction 6
reaction('c12h25 + oh => c12h26 + o', [6.330000e+01, 3.0, 6798.0])
# Reaction 7
reaction('c12h26 + ho2 => c12h25 + h2o2', [3.510000e+14, 0.0, 17690.0])
# Reaction 8
reaction('c12h25 + h2o2 => c12h26 + ho2', [4.350000e+11, 0.0, 8165.0])
# Reaction 9
reaction('c12h26 + o2 => c12h25 + ho2', [4.000000e+13, 0.0, 47150.0])
# Reaction 10
reaction('c12h25 + ho2 => c12h26 + o2', [1.100000e+09, 0.7, -541.0])
# Reaction 11
reaction('c12h25 + o2 => c12h25o2', [1.550000e+12, 0.0, 0.0])
# Reaction 12
reaction('c12h25o2 => c12h25 + o2', [1.360000e+23, -2.4, 37670.0])
# Reaction 13
reaction('c12h25o2 + o2 <=> c12ket + oh', [1.120000e+14, 0.0, 19232.712])
# Reaction 14
reaction('c12ket => oh + ch2o + c10h21 + co', [1.500000e+16, 0.0, 41600.0])
# Reaction 15
reaction('c12ket => oh + c3h6cho + c7h15cho', [1.550000e+16, 0.0, 41600.0])
# Reaction 16
reaction('c12ket => oh + c2h5co + c2h4 + c6h13cho', [1.550000e+16, 0.0, 41600.0])
# Reaction 17
reaction('c12h26 + ch3 => c12h25 + ch4', [2.710000e+05, 2.3, 7287.0])
# Reaction 18
reaction('c12h25 + ch4 => c12h26 + ch3', [2.140000e+03, 2.6, 14550.0])
# Reaction 19
reaction('c12h26 <=> c12h25 + h', [1.940000e+12, 0.67, 82000.0])
# Reaction 20
reaction('c12h26 <=> c10h21 + c2h5', [1.940000e+12, 0.67, 82000.0])
# Reaction 21
reaction('c12h26 <=> c7h15-2 + c5h11', [1.940000e+12, 0.67, 82000.0])
# Reaction 22
reaction('c12h26 <=> 2 c6h13', [1.940000e+12, 0.67, 82000.0])
# Reaction 23
reaction('c12h25 <=> c2h4 + c10h21', [4.000000e+15, 0.0, 35000.0])
# Reaction 24
reaction('c12h25 <=> c6h12 + c6h13', [4.000000e+15, 0.0, 32000.0])
# Reaction 25
reaction('c12h25 <=> c5h10 + c7h15-2', [5.000000e+15, 0.0, 33000.0])
# =======================================
# Reaction 26
reaction('c10h21 + o2 => c10h21o2', [6.200000e+11, 0.0, 0.0])
# Reaction 27
reaction('c10h21o2 => c10h21 + o2', [1.360000e+23, -2.4, 37670.0])
# Reaction 28
reaction('c10h21o2 + o2 <=> c10ket2-1 + oh', [1.450000e+14, 0.0, 19232.712])
# Reaction 29
reaction('c10ket2-1 => oh + ch3co + c7h15cho', [6.050000e+15, 0.0, 41600.0])
# Reaction 30
reaction('c10ket2-1 => oh + c2h5co + c6h13cho', [6.050000e+15, 0.0, 41600.0])
# Reaction 31
reaction('c10h21 <=> c4h8 + c6h13', [4.000000e+15, 0.0, 32000.0])
# Reaction 32
reaction('c10h21 <=> c5h10 + c5h11', [4.000000e+15, 0.0, 33000.0])
# ===================================
# Reaction 33
reaction('c7h15cho + o2 => c7h15co + ho2', [2.000000e+13, 0.5, 42200.0])
# Reaction 34
reaction('c7h15co + ho2 => c7h15cho + o2', [1.000000e+07, 0.0, 40000.0])
# Reaction 35
reaction('c7h15cho + oh => c7h15co + h2o', [2.690000e+10, 0.8, -340.0])
# Reaction 36
reaction('c7h15co + h2o => c7h15cho + oh', [1.740000e+10, 0.8, 31200.0])
# Reaction 37
reaction('c7h15cho + o => c7h15co + oh', [5.000000e+12, 0.0, 1790.0])
# Reaction 38
reaction('c7h15co + oh => c7h15cho + o', [1.000000e+12, 0.0, 19000.0])
# Reaction 39
reaction('c7h15cho + ho2 => c7h15co + h2o2', [2.800000e+12, 0.0, 13600.0])
# Reaction 40
reaction('c7h15co + h2o2 => c7h15cho + ho2', [1.000000e+12, 0.0, 10000.0])
# Reaction 41
reaction('c7h15cho + h => c7h15co + h2', [4.000000e+13, 0.0, 4200.0])
# Reaction 42
reaction('c7h15co + h2 => c7h15cho + h', [1.800000e+13, 0.0, 24000.0])
# Reaction 43
reaction('c7h15co => c7h15-2 + co', [1.000000e+11, 0.0, 9600.0])
# Reaction 44
reaction('c7h15-2 + co => c7h15co', [1.000000e+11, 0.0, 0.0])
# Reaction 45
reaction('c7h15-2 <=> c4h9 + c3h6', [4.400000e+16, -0.89, 30130.02])
# Reaction 46
reaction('c7h15-2 <=> c4h8 + c3h7', [2.858000e+10, 0.19, 22909.89])
# Reaction 47
reaction('c7h15-2 + o2 => c7h15o2', [3.754000e+12, 0.0, 0.0])
# Reaction 48
reaction('c7h15o2 => c7h15-2 + o2', [9.879000e+21, -1.97, 37859.94])
# Reaction 49
reaction('c7h15o2 + ho2 <=> c7h15o2h + o2', [8.750000e+09, 0.0, -3275.1])
# Reaction 50
reaction('c7h15o2 + h2o2 => ho2 + c7h15o2h', [2.400000e+13, 0.0, 10000.0])
# Reaction 51
reaction('ho2 + c7h15o2h => c7h15o2 + h2o2', [2.400000e+12, 0.0, 10000.0])
# Reaction 52
reaction('c7h15o2 => c7h14ooh', [5.500000e+10, 0.0, 20849.9])
# Reaction 53
reaction('c7h14ooh => c7h15o2', [2.143000e+09, -0.08, 8210.09])
# Reaction 54
reaction('c7h14ooh => oh + c3h7cho + c3h6', [1.600000e+19, -1.49, 26799.95])
# Reaction 55
reaction('c7h14ooh <=> c4h8 + c3h6 + ho2', [2.134000e+16, -0.96, 24799.95])
# Reaction 56
reaction('c7h14ooh + o2 => o2c7h14ooh', [5.504000e+12, 0.0, 0.0])
# Reaction 57
reaction('o2c7h14ooh => c7h14ooh + o2', [1.597000e+21, -2.0, 36520.08])
# Reaction 58
reaction('o2c7h14ooh => nc7ket23 + oh', [1.375000e+10, 0.0, 17849.9])
# Reaction 59
reaction('nc7ket23 + oh => o2c7h14ooh', [5.561000e+01, 1.94, 43479.92])
# Reaction 60
reaction('nc7ket23 => ch3cho + c4h9co + oh', [1.050000e+16, 0.0, 41599.9])
# ==================================
# Reaction 61
reaction('c6h13cho + o2 => c6h13co + ho2', [2.000000e+13, 0.5, 42200.0])
# Reaction 62
reaction('c6h13co + ho2 => c6h13cho + o2', [1.000000e+07, 0.0, 40000.0])
# Reaction 63
reaction('c6h13cho + oh => c6h13co + h2o', [2.690000e+10, 0.8, -340.0])
# Reaction 64
reaction('c6h13co + h2o => c6h13cho + oh', [1.740000e+10, 0.8, 31200.0])
# Reaction 65
reaction('c6h13cho + o => c6h13co + oh', [5.000000e+12, 0.0, 1790.0])
# Reaction 66
reaction('c6h13co + oh => c6h13cho + o', [1.000000e+12, 0.0, 19000.0])
# Reaction 67
reaction('c6h13cho + ho2 => c6h13co + h2o2', [2.800000e+12, 0.0, 13600.0])
# Reaction 68
reaction('c6h13co + h2o2 => c6h13cho + ho2', [1.000000e+12, 0.0, 10000.0])
# Reaction 69
reaction('c6h13cho + h => c6h13co + h2', [4.000000e+13, 0.0, 4200.0])
# Reaction 70
reaction('c6h13co + h2 => c6h13cho + h', [1.800000e+13, 0.0, 24000.0])
# Reaction 71
reaction('c6h13co => c6h13 + co', [1.000000e+11, 0.0, 9600.0])
# Reaction 72
reaction('c6h13 + co => c6h13co', [1.000000e+11, 0.0, 0.0])
# Reaction 73
reaction('c6h13 + o2 <=> c6h13o2', [3.770000e+13, 0.0, 0.0])
# Reaction 74
reaction('c6h13o2 <=> c6h12ooh', [4.000000e+10, 0.0, 20850.0])
# Reaction 75
reaction('c6h12ooh + o2 <=> c6h12ooho2', [1.050000e+13, 0.0, 0.0])
# Reaction 76
reaction('c6h12ooho2 <=> c6ket24 + oh', [2.000000e+10, 0.0, 17850.0])
# Reaction 77
reaction('c6ket24 => ch2o + c4h9co + oh', [5.000000e+16, 0.0, 39000.0])
# Reaction 78
reaction('c6h13 + ho2 => c6h13o + oh', [7.000000e+12, 0.0, -1000.0])
# Reaction 79
reaction('c6h13o + oh => c6h13 + ho2', [3.073000e+17, -1.15, 28070.0])
# Reaction 80
reaction('c6h13 + ch3o2 => c6h13o + ch3o', [7.000000e+12, 0.0, -1000.0])
# Reaction 81
reaction('c6h13o + ch3o => c6h13 + ch3o2', [1.922000e+16, -0.85, 32310.0])
# Reaction 82
reaction('c6h13o => c4h9 + ch3cho', [2.365000e+22, -2.61, 19620.0])
# Reaction 83
reaction('c4h9 + ch3cho => c6h13o', [1.000000e+11, 0.0, 11900.0])
# Reaction 84
reaction('c6h13 => c3h6 + c3h7', [3.654000e+19, -1.8, 30170.0])
# Reaction 85
reaction('c3h6 + c3h7 => c6h13', [1.500000e+11, 0.0, 7200.0])
# Reaction 86
reaction('c6h13 + c6h13o2 => 2 c6h13o', [7.000000e+12, 0.0, -1000.0])
# Reaction 87
reaction('2 c6h13o => c6h13 + c6h13o2', [3.414000e+15, -0.76, 31420.0])
# Reaction 88
reaction('c6h12ooh => c6h12o + oh', [7.500000e+10, 0.0, 15250.0])
# Reaction 89
reaction('c6h12o + oh => c3h6 + c2h5co + h2o', [2.500000e+12, 0.0, 0.0])
# Reaction 90
reaction('c6h12o + ho2 => c3h6 + c2h5co + h2o2', [5.000000e+12, 0.0, 17700.0])
# Reaction 91
reaction('c6h13o2 + ch3o2 => c6h13o + ch3o + o2', [5.600000e+16, -1.61, 1860.0])
# Reaction 92
reaction('2 c6h13o2 => o2 + 2 c6h13o', [5.600000e+16, -1.61, 1860.0])
# Reaction 93
reaction('c6h13o2 => c6h12 + ho2', [5.044000e+38, -8.11, 40490.0])
# Reaction 94
reaction('c6h12 + ho2 => c6h13o2', [2.876000e+28, -5.77, 18570.0])
# Reaction 95
reaction('c6h12 <=> c2h5 + c4h7', [1.500000e+15, 0.0, 71000.0])
# Reaction 96
reaction('c6h12 + oh => c4h9 + ch3cho', [2.000000e+11, 0.0, -4000.0])
# Reaction 97
reaction('c6h12 + o => c4h9 + ch3co', [1.000000e+11, 0.0, -1050.0])
# Reaction 98
reaction('c6h12 + h => c6h112-4 + h2', [3.376000e+05, 2.36, 207.0])
# Reaction 99
reaction('c6h112-4 + h2 => c6h12 + h', [4.384000e+06, 2.1, 20330.0])
# Reaction 100
reaction('c6h12 + oh => c6h112-4 + h2o', [6.810000e+03, 2.64, -1919.0])
# Reaction 101
reaction('c6h112-4 + h2o => c6h12 + oh', [1.554000e+06, 2.38, 33360.0])
# Reaction 102
reaction('c6h12 + ch3 => c6h112-4 + ch4', [3.690000e+00, 3.31, 4002.0])
# Reaction 103
reaction('c6h112-4 + ch4 => c6h12 + ch3', [1.252000e+03, 3.05, 24600.0])
# Reaction 104
reaction('c6h12 + ho2 => c6h112-4 + h2o2', [9.640000e+02, 2.55, 10530.0])
# Reaction 105
reaction('c6h112-4 + h2o2 => c6h12 + ho2', [1.609000e+06, 1.96, 14340.0])
# Reaction 106
reaction('c6h112-4 + ho2 => c6h11o2-4 + oh', [4.820000e+12, 0.0, 0.0])
# Reaction 107
reaction('c6h11o2-4 + oh => c6h112-4 + ho2', [9.704000e+15, -1.13, 15790.0])
# Reaction 108
reaction('c6h112-4 + ch3o2 => c6h11o2-4 + ch3o', [9.640000e+12, 0.0, 0.0])
# Reaction 109
reaction('c6h11o2-4 + ch3o => c6h112-4 + ch3o2', [9.478000e+17, -1.71, 20560.0])
# Reaction 110
reaction('c6h11o2-4 => c2h3cho + c3h7', [1.427000e+20, -2.04, 11230.0])
# Reaction 111
reaction('c2h3cho + c3h7 => c6h11o2-4', [1.000000e+11, 0.0, 9600.0])
# Reaction 112
reaction('c6h11o2-4 => c2h5cho + c3h5', [2.346000e+22, -2.58, 29310.0])
# Reaction 113
reaction('c2h5cho + c3h5 => c6h11o2-4', [1.000000e+11, 0.0, 9600.0])
# =======================================
# Reaction 114
reaction('c5h11 => c2h4 + c3h7', [1.603000e+12, 0.451, 29430.0])
# Reaction 115
reaction('c2h4 + c3h7 => c5h11', [8.800000e+03, 2.48, 6130.0])
# Reaction 116
reaction('c5h11 => c3h6 + c2h5', [6.115000e+11, 0.635, 29360.0])
# Reaction 117
reaction('c3h6 + c2h5 => c5h11', [8.800000e+03, 2.48, 6130.0])
# Reaction 118
reaction('c5h11 => c5h10 + h', [3.988000e+11, 0.41, 35220.0])
# Reaction 119
reaction('c5h10 + h => c5h11', [2.500000e+11, 0.51, 2620.0])
# Reaction 120
reaction('c5h10 => c2h5 + c3h5', [9.864000e+21, -2.086, 75060.0])
# Reaction 121
reaction('c2h5 + c3h5 => c5h10', [4.000000e+12, 0.0, -596.0])
# Reaction 122
reaction('c5h10 => ch3 + c4h7', [6.486000e+19, -1.367, 76320.0])
# Reaction 123
reaction('ch3 + c4h7 => c5h10', [8.000000e+12, 0.0, -596.0])
# Reaction 124
reaction('c5h10 + h => c5h9 + h2', [3.376000e+05, 2.36, 207.0])
# Reaction 125
reaction('c5h9 + h2 => c5h10 + h', [3.096000e+05, 2.53, 20320.0])
# Reaction 126
reaction('c5h10 + o => c5h9 + oh', [6.600000e+05, 2.43, 1210.0])
# Reaction 127
reaction('c5h9 + oh => c5h10 + o', [2.658000e+05, 2.6, 19230.0])
# Reaction 128
reaction('c5h10 + o => c4h9 + hco', [1.000000e+11, 0.0, 0.0])
# Reaction 129
reaction('c5h10 + o => c3h7 + ch3co', [1.000000e+11, 0.0, 0.0])
# Reaction 130
reaction('c5h10 + o => c3h6 + ch3cho', [1.000000e+10, 0.0, 0.0])
# Reaction 131
reaction('c3h6 + ch3cho => c5h10 + o', [1.000000e+12, 0.0, 81000.0])
# Reaction 132
reaction('c5h10 + oh => c5h9 + h2o', [2.764000e+04, 2.64, -1919.0])
# Reaction 133
reaction('c5h9 + h2o => c5h10 + oh', [1.097000e+05, 2.81, 33350.0])
# Reaction 134
reaction('c5h10 + oh => c4h9 + ch2o', [1.000000e+11, 0.0, 0.0])
# Reaction 135
reaction('c5h10 + oh => c3h7 + ch3cho', [2.000000e+10, 0.0, -4000.0])
# Reaction 136
reaction('c3h7 + ch3cho => c5h10 + oh', [2.000000e+13, 0.0, 20000.0])
# Reaction 137
reaction('c5h10 + ch3 => c5h9 + ch4', [3.690000e+00, 3.31, 4002.0])
# Reaction 138
reaction('c5h9 + ch4 => c5h10 + ch3', [8.840000e+01, 3.48, 24590.0])
# Reaction 139
reaction('c5h10 + o2 => c5h9 + ho2', [2.200000e+12, 0.0, 37220.0])
# Reaction 140
reaction('c5h9 + ho2 => c5h10 + o2', [3.665000e+10, 0.49, -152.0])
# Reaction 141
reaction('c5h10 + ho2 => c5h9 + h2o2', [4.820000e+03, 2.55, 10530.0])
# Reaction 142
reaction('c5h9 + h2o2 => c5h10 + ho2', [1.136000e+05, 2.39, 14330.0])
# Reaction 143
reaction('c5h10 + ch3o => c5h9 + ch3oh', [4.000000e+01, 2.9, 8609.0])
# Reaction 144
reaction('c5h9 + ch3oh => c5h10 + ch3o', [1.769000e+01, 3.09, 26990.0])
# Reaction 145
reaction('c5h9 => c3h6 + c2h3', [5.814000e+11, 0.17, 35850.0])
# Reaction 146
reaction('c3h6 + c2h3 => c5h9', [1.000000e+11, 0.0, 7800.0])
# Reaction 147
reaction('c5h9 => c2h4 + c3h5', [7.157000e+16, -1.42, 17750.0])
# Reaction 148
reaction('c2h4 + c3h5 => c5h9', [1.000000e+11, 0.0, 7800.0])
# =============================
# Reaction 149
reaction('c4h9co <=> c4h9 + co', [1.000000e+11, 0.0, 9600.0])
# Reaction 150
reaction('c4h9 <=> c3h6 + ch3', [3.682000e+18, -1.4, 30229.92])
# Reaction 151
reaction('c4h9 <=> c4h8 + h', [1.159000e+17, -1.17, 38159.89])
# Reaction 152
reaction('c4h9 => c2h5 + c2h4', [3.749000e+18, -1.41, 29580.0])
# Reaction 153
reaction('c2h5 + c2h4 => c4h9', [3.300000e+11, 0.0, 7200.0])
# Reaction 154
reaction('c4h9 + o2 => c4h9o2', [5.050000e+12, 0.0, 0.0])
# Reaction 155
reaction('c4h9o2 => c4h9 + o2', [6.155000e+19, -1.38, 35510.0])
# Reaction 156
reaction('c4h9o2 => c4h8ooh', [2.900000e+11, 0.0, 26850.0])
# Reaction 157
reaction('c4h8ooh => c4h9o2', [3.994000e+10, -0.2, 13930.0])
# Reaction 158
reaction('c4h8ooh => oh + ch2o + c3h6', [6.637000e+13, -0.16, 29900.0])
# Reaction 159
reaction('c4h8ooh + o2 => c4h8ooho2', [3.770000e+13, 0.0, 0.0])
# Reaction 160
reaction('c4h8ooho2 => c4h8ooh + o2', [4.516000e+22, -2.22, 37880.0])
# Reaction 161
reaction('c4h8ooho2 => c4ket23 + oh', [5.000000e+12, 0.0, 23850.0])
# Reaction 162
reaction('c4ket23 + oh => c4h8ooho2', [8.356000e+03, 1.54, 49100.0])
# Reaction 163
reaction('c4ket23 => c2h5cho + hco + oh', [1.050000e+16, 0.0, 41600.0])
# Reaction 164
reaction('c4ket23 => ch3cho + ch2cho + oh', [1.050000e+16, 0.0, 41600.0])
# Reaction 165
reaction('c4ket23 => ch2o + c2h5co + oh', [1.500000e+16, 0.0, 42000.0])
# Reaction 166
reaction('c4ket23 => ch3cho + ch3co + oh', [1.050000e+16, 0.0, 41600.0])
# Reaction 167
reaction('c4h8 <=> c2h3 + c2h5', [1.000000e+19, -1.0, 96770.08])
# Reaction 168
reaction('c4h8 <=> h + c4h7', [4.107000e+18, -1.0, 97349.9])
# Reaction 169
reaction('c4h8 + ch3 <=> c4h7 + ch4', [1.000000e+11, 0.0, 7299.95])
# Reaction 170
reaction('c4h8 + h <=> c4h7 + h2', [5.000000e+13, 0.0, 3900.1])
# Reaction 171
reaction('c4h8 + oh <=> c4h7 + h2o', [2.250000e+13, 0.0, 2217.02])
# Reaction 172
reaction('c4h8 + ho2 <=> c4h7 + h2o2', [1.400000e+12, 0.0, 14900.1])
# Reaction 173
reaction('c4h8 + o2 <=> c4h7 + ho2', [2.700000e+13, 0.0, 33200.05])
# Reaction 174
reaction('c4h8 + oh <=> c3h7 + ch2o', [1.000000e+12, 0.0, 0.0])
# Reaction 175
reaction('c4h8 + o <=> c3h6 + ch2o', [7.230000e+05, 2.34, -1049.95])
# Reaction 176
reaction('c4h8 + o <=> ch3cho + c2h4', [1.300000e+13, 0.0, 849.9])
# Reaction 177
reaction('c4h8 + o <=> ch3co + c2h5', [1.300000e+13, 0.0, 849.9])
# Reaction 178
reaction('c4h8 + oh <=> ch3cho + c2h5', [1.000000e+12, 0.0, 0.0])
# Reaction 179
reaction('c3h5 + ch3 => c4h8', [5.000000e+12, 0.0, 0.0])
# Reaction 180
reaction('c4h8 => c3h5 + ch3', [5.000000e+15, 0.0, 71000.0])
# Reaction 181
reaction('c4h7 => c2h4 + c2h3', [1.000000e+11, 0.0, 37000.0])
# Reaction 182
reaction('c2h4 + c2h3 => c4h7', [5.000000e+10, 0.0, 7000.0])
# Reaction 183
reaction('c4h7 + ho2 => c4h7o + oh', [7.000000e+12, 0.0, -1000.0])
# Reaction 184
reaction('c4h7o + oh => c4h7 + ho2', [1.008000e+11, 0.26, 16890.0])
# Reaction 185
reaction('c4h7 + ch3o2 => ch3o + c4h7o', [7.000000e+12, 0.0, -1000.0])
# Reaction 186
reaction('ch3o + c4h7o => c4h7 + ch3o2', [2.131000e+15, -0.75, 16810.0])
# Reaction 187
reaction('c4h7o => ch3cho + c2h3', [7.940000e+14, 0.0, 19000.0])
# Reaction 188
reaction('ch3cho + c2h3 => c4h7o', [1.000000e+10, 0.0, 20000.0])
# Reaction 189
reaction('c4h7o => c3h5 + ch2o', [1.013000e+18, -1.45, 30840.0])
# Reaction 190
reaction('c3h5 + ch2o => c4h7o', [1.000000e+11, 0.0, 12600.0])
# Reaction 191
reaction('c2h5 + c4h7 <=> c2h4 + c4h8', [9.240000e+06, 1.5, -962.0])
# -----------------------------------
# Reaction 192
reaction('c4h4 + h => c2h3 + c2h2', [2.000000e+13, 0.0, 12400.0])
# Reaction 193
reaction('c4h4 + h => c4h3 + h2', [3.100000e+14, 0.0, 14500.0])
# Reaction 194
reaction('c4h3 + h2 => c4h4 + h', [2.800000e+12, 0.0, 11200.0])
# Reaction 195
reaction('c2h3 + c4h4 => c2h4 + c4h3', [5.000000e+11, 0.0, 16300.0])
# Reaction 196
reaction('c4h3 + c2h4 => c2h3 + c4h4', [3.500000e+11, 0.0, 13400.0])
# Reaction 197
reaction('c4h4 + oh <=> c4h3 + h2o', [1.000000e+07, 2.0, 2000.0])
# Reaction 198
reaction('2 c2h2 <=> c4h3 + h', [1.000000e+12, 0.0, 64100.0])
# Reaction 199
reaction('c4h3 + o2 <=> ch2co + hcco', [1.000000e+12, 0.0, 0.0])
# ===================================
# Reaction 200
reaction('c3h6cho => c2h3cho + ch3', [3.170000e+14, -0.4, 29900.0])
# Reaction 201
reaction('c2h3cho + ch3 => c3h6cho', [1.230000e+11, 0.0, 7800.0])
# Reaction 202
reaction('c3h6cho => c3h6 + hco', [8.250000e+12, -0.2, 21900.0])
# Reaction 203
reaction('c3h6 + hco => c3h6cho', [1.000000e+11, 0.0, 6000.0])
# Reaction 204
reaction('c3h6cho => c2h4 + ch2cho', [7.400000e+11, 0.0, 21970.0])
# Reaction 205
reaction('c2h4 + ch2cho => c3h6cho', [2.110000e+11, 0.0, 7350.0])
# ------------------------------
# Reaction 206
reaction('c2h5cho <=> c2h5 + hco', [9.850000e+18, -0.73, 81710.0])
# Reaction 207
reaction('c2h5co => c2h5 + co', [2.460000e+23, -3.208, 17550.0])
# Reaction 208
reaction('c2h5 + co => c2h5co', [1.510000e+11, 0.0, 4810.0])
# =====================================
# Reaction 209
reaction('c3h7 => ch3 + c2h4', [4.568000e+13, -0.55, 28400.0])
# Reaction 210
reaction('ch3 + c2h4 => c3h7', [4.100000e+11, 0.0, 7204.0])
# Reaction 211
reaction('c3h7 => h + c3h6', [2.667000e+15, -0.64, 36820.0])
# Reaction 212
reaction('h + c3h6 => c3h7', [1.000000e+13, 0.0, 2500.0])
# Reaction 213
reaction('c3h7 + o2 => c3h6 + ho2', [6.000000e+10, 0.0, 3000.0])
# Reaction 214
reaction('c3h6 + ho2 => c3h7 + o2', [4.000000e+10, 0.0, 17500.0])
# Reaction 215
reaction('c3h7 + oh <=> c3h6 + h2o', [2.410000e+13, 0.0, 0.0])
# Reaction 216
reaction('c3h7 + o <=> ch3cho + ch3', [4.818000e+13, 0.0, 0.0])
# Reaction 217
reaction('c3h7 + h => c2h5 + ch3', [2.000000e+13, 0.0, 0.0])
# Reaction 218
reaction('c2h5 + ch3 => c3h7 + h', [4.822000e+09, 0.69, 12090.0])
# Reaction 219
reaction('c3h7 + ho2 => c3h7o + oh', [7.000000e+12, 0.0, -1000.0])
# Reaction 220
reaction('c3h7o + oh => c3h7 + ho2', [1.098000e+13, 0.23, 27000.0])
# Reaction 221
reaction('c3h7 + ch3o2 => c3h7o + ch3o', [1.400000e+12, 0.0, -1000.0])
# Reaction 222
reaction('c3h7o + ch3o => c3h7 + ch3o2', [1.072000e+15, -0.35, 31760.0])
# Reaction 223
reaction('c3h7 + o2 => c3h7o2', [4.520000e+12, 0.0, 0.0])
# Reaction 224
reaction('c3h7o2 => c3h7 + o2', [2.400000e+20, -1.616, 35960.0])
# Reaction 225
reaction('2 c3h7o2 => o2 + 2 c3h7o', [4.200000e+15, -1.61, 1860.0])
# Reaction 226
reaction('c3h7o2 + ch3 => c3h7o + ch3o', [1.400000e+12, 0.0, -1000.0])
# Reaction 227
reaction('c3h7o + ch3o => c3h7o2 + ch3', [2.303000e+12, 0.16, 26190.0])
# Reaction 228
reaction('c3h7o2 + c3h7 => 2 c3h7o', [2.800000e+11, 0.0, -1000.0])
# Reaction 229
reaction('2 c3h7o => c3h7o2 + c3h7', [1.075000e+13, 0.1, 29880.0])
# Reaction 230
reaction('c3h7o2 + ch3o2 => c3h7o + ch3o + o2', [4.200000e+15, -1.61, 1860.0])
# Reaction 231
reaction('c3h7o => c2h5 + ch2o', [1.394000e+17, -0.87, 19770.0])
# Reaction 232
reaction('c2h5 + ch2o => c3h7o', [1.000000e+11, 0.0, 11900.0])
# Reaction 233
reaction('c3h7o => ch3 + ch3cho', [3.845000e+16, -1.25, 20490.0])
# Reaction 234
reaction('ch3 + ch3cho => c3h7o', [1.500000e+11, 0.0, 12900.0])
# Reaction 235
reaction('c3h7o2 => c3h6ooh', [7.500000e+10, 0.0, 26900.0])
# Reaction 236
reaction('c3h6ooh => c3h7o2', [5.312000e+12, -0.56, 11180.0])
# Reaction 237
reaction('c3h6ooh => c3h6 + ho2', [3.660000e+19, -2.14, 18230.0])
# Reaction 238
reaction('c3h6 + ho2 => c3h6ooh', [5.818000e+22, -3.23, 13960.0])
# Reaction 239
reaction('c3h6ooh => oh + ch2o + c2h4', [1.160000e+17, -1.1, 32570.0])
# ---------------------------
# Reaction 240
reaction('c3h6 <=> c2h3 + ch3', [2.730000e+62, -13.28, 123200.05])
# Reaction 241
reaction('c3h6 + o => ch2co + ch3 + h', [2.500000e+07, 1.76, 76.0])
# Reaction 242
reaction('c3h6 + o <=> c2h5 + hco', [1.580000e+07, 1.76, -1216.06])
# Reaction 243
reaction('c3h6 + h <=> c2h4 + ch3', [4.830000e+33, -5.81, 18500.0])
# Reaction 244
reaction('c3h6 + ch3 => c3h5 + ch4', [2.210000e+00, 3.5, 5675.0])
# Reaction 245
reaction('c3h5 + ch4 => c3h6 + ch3', [2.650000e+01, 3.51, 23180.0])
# Reaction 246
reaction('c3h6 + h => c3h5 + h2', [1.730000e+05, 2.5, 2492.1])
# Reaction 247
reaction('c3h5 + h2 => c3h6 + h', [7.930000e+04, 2.51, 19520.1])
# Reaction 248
reaction('c3h6 + ho2 => c3h5 + h2o2', [1.500000e+11, 0.0, 14190.0])
# Reaction 249
reaction('c3h5 + h2o2 => c3h6 + ho2', [5.870000e+05, 1.33, 9759.1])
# Reaction 250
reaction('c3h6 + o => c3h5 + oh', [5.240000e+11, 0.7, 5884.1])
# Reaction 251
reaction('c3h5 + oh => c3h6 + o', [1.060000e+11, 0.71, 20820.0])
# Reaction 252
reaction('c3h6 + oh => c3h5 + h2o', [3.120000e+06, 2.0, -298.0])
# Reaction 253
reaction('c3h5 + h2o => c3h6 + oh', [6.190000e+06, 2.01, 31880.0])
# Reaction 254
reaction('c3h6 => c3h5 + h', [2.010000e+61, -13.26, 118500.0])
# Reaction 255
reaction('c3h5 + h => c3h6', [4.890000e+56, -12.25, 28080.1])
# Reaction 256
reaction('c3h5 + ho2 => c3h6 + o2', [1.080000e+08, 0.82, -984.0])
# Reaction 257
reaction('c3h6 + o2 => c3h5 + ho2', [2.000000e+12, 0.0, 62900.1])
# Reaction 258
reaction('c3h5 + o2 <=> ch2o + ch3co', [3.710000e+25, -3.96, 7043.0])
# Reaction 259
reaction('c3h5 + o2 => ch3cho + hco', [4.340000e+12, 0.0, 0.0])
# Reaction 260
reaction('ch3cho + hco => c3h5 + o2', [1.610000e+17, -1.27, 96530.1])
# Reaction 261
reaction('c3h5 <=> c2h2 + ch3', [9.600000e+39, -8.17, 42030.1])
# -------------------------------
# Reaction 262
reaction('c2h3cho + oh <=> c2h3 + co + h2o', [9.240000e+05, 1.5, -962.0])
# Reaction 263
reaction('c2h3cho + h <=> c2h3 + co + h2', [1.340000e+12, 0.0, 3300.0])
# Reaction 264
reaction('c2h3cho + o <=> c2h3 + co + oh', [5.940000e+11, 0.0, 1868.0])
# Reaction 265
reaction('c2h3cho + ho2 <=> c2h3 + co + h2o2', [3.010000e+11, 0.0, 11930.0])
# Reaction 266
reaction('c2h3cho + ch3 <=> c2h3 + co + ch4', [2.608000e+05, 1.78, 5911.0])
# --------------------------------------
# Reaction 267
reaction('c2h5 + h <=> 2 ch3', [3.610000e+13, 0.0, 0.0])
# Reaction 268
reaction('c2h5 + o <=> ch3cho + h', [5.000000e+13, 0.0, 0.0])
# Reaction 269
reaction('c2h5 + ho2 <=> ch3 + ch2o + oh', [3.200000e+12, 0.0, 2000.0])
# Reaction 270
reaction('c2h5 + o2 <=> c2h4 + ho2', [1.220000e+30, -5.76, 10099.9])
# Reaction 271
reaction('c2h5 + c2h3 => 2 c2h4', [3.000000e+12, 0.0, 0.0])
# Reaction 272
reaction('2 c2h4 => c2h5 + c2h3', [4.820000e+14, 0.0, 71530.11])
# Reaction 273
reaction('c2h5 + ch3 <=> ch4 + c2h4', [1.950000e+13, -0.5, 0.0])
# Reaction 274
falloff_reaction('h + c2h4 (+ M) <=> c2h5 (+ M)',
kf=[1.081000e+12, 0.45, 1821.94],
kf0=[1.112000e+34, -5.0, 4447.9],
efficiencies='co:2.0 co2:3.0 h2o:5.0 h2:2.0',
falloff=Troe(A=1.0, T3=1e-15, T1=95.0, T2=200.0))
# ----------------------------------
# Reaction 275
reaction('c2h4 + ch3o <=> c2h3 + ch3oh', [1.200000e+11, 0.0, 6750.0])
# Reaction 276
reaction('c2h4 + o => ch3 + hco', [1.020000e+07, 1.88, 179.02])
# Reaction 277
reaction('ch3 + hco => c2h4 + o', [2.851000e+08, 1.05, 31770.08])
# Reaction 278
falloff_reaction('c2h4 (+ M) <=> c2h2 + h2 (+ M)',
kf=[1.800000e+13, 0.0, 76000.0],
kf0=[1.500000e+15, 0.0, 55443.12])
# Reaction 279
reaction('c2h4 + h <=> c2h3 + h2', [8.420000e-03, 4.62, 2582.93])
# Reaction 280
reaction('c2h4 + oh <=> c2h3 + h2o', [8.080000e+13, 0.0, 5955.07])
# Reaction 281
reaction('c2h4 + ch3 <=> c2h3 + ch4', [6.620000e+00, 3.7, 9500.0])
# Reaction 282
reaction('c2h4 + o2 <=> c2h3 + ho2', [4.000000e+13, 0.0, 58200.05])
# Reaction 283
reaction('c2h4 + o <=> ch2cho + h', [3.390000e+06, 1.88, 179.02])
# Reaction 284
falloff_reaction('c2h3 + h (+ M) <=> c2h4 (+ M)',
kf=[6.100000e+12, 0.27, 280.11],
kf0=[9.800000e+29, -3.86, 3320.03],
falloff=Troe(A=0.782, T3=208.0, T1=2663.0, T2=6095.0))
# ----------------------------------
# Reaction 285
reaction('c2h3 + o2 => c2h2 + ho2', [2.120000e-06, 6.0, 9483.99])
# Reaction 286
reaction('c2h2 + ho2 => c2h3 + o2', [1.114000e-07, 6.33, 17570.03])
# Reaction 287
reaction('c2h3 + h <=> c2h2 + h2', [2.000000e+13, 0.0, 2500.0])
# Reaction 288
reaction('c2h3 + o2 <=> ch2o + hco', [1.700000e+29, -5.31, 6500.0])
# Reaction 289
reaction('c2h3 + o2 <=> ch2cho + o', [3.500000e+14, -0.61, 5260.04])
# ------------------------------------
# Reaction 290
reaction('c2h2 + o <=> ch2 + co', [6.120000e+06, 2.0, 1900.1])
# Reaction 291
falloff_reaction('c2h2 + h (+ M) <=> c2h3 (+ M)',
kf=[3.110000e+11, 0.58, 2588.91],
kf0=[2.254000e+40, -7.269, 6576.96],
efficiencies='co:2.0 co2:3.0 h2o:5.0 h2:2.0',
falloff=Troe(A=1.0, T3=1e-15, T1=675.0, T2=1000000000000000.0))
# ===================================
# Reaction 292
reaction('ch3cho => ch3 + hco', [2.610000e+15, 0.15, 80550.0])
# Reaction 293
reaction('ch3 + hco => ch3cho', [2.000000e+13, 0.0, 0.0])
# Reaction 294
reaction('ch3cho + o2 => ch3co + ho2', [3.010000e+13, 0.0, 39150.0])
# Reaction 295
reaction('ch3co + ho2 => ch3cho + o2', [8.552000e+10, 0.32, -1940.0])
# Reaction 296
reaction('ch3cho + oh => ch3co + h2o', [2.000000e+06, 1.8, 1300.0])
# Reaction 297
reaction('ch3co + h2o => ch3cho + oh', [1.354000e+06, 1.79, 32850.0])
# Reaction 298
reaction('ch3cho + h => ch3co + h2', [1.340000e+13, 0.0, 3300.0])
# Reaction 299
reaction('ch3co + h2 => ch3cho + h', [2.096000e+12, -0.01, 19690.0])
# Reaction 300
reaction('ch3cho + o => ch3co + oh', [5.940000e+12, 0.0, 1868.0])
# Reaction 301
reaction('ch3co + oh => ch3cho + o', [4.080000e+11, -0.01, 16170.0])
# Reaction 302
reaction('ch3cho + ho2 => ch3co + h2o2', [3.010000e+12, 0.0, 11930.0])
# Reaction 303
reaction('ch3co + h2o2 => ch3cho + ho2', [1.210000e+13, -0.34, 12010.0])
# Reaction 304
reaction('ch3cho + ch3 => ch3co + ch4', [2.610000e+06, 1.78, 5911.0])
# Reaction 305
reaction('ch3co + ch4 => ch3cho + ch3', [1.066000e+07, 1.77, 22790.0])
# Reaction 306
reaction('ch2cho + o2 => ch2o + co + oh', [2.000000e+13, 0.0, 4200.05])
# ---------------------------------
# Reaction 307
falloff_reaction('ch3co (+ M) <=> ch3 + co (+ M)',
kf=[3.000000e+12, 0.0, 16719.89],
kf0=[1.200000e+15, 0.0, 12517.93])
# Reaction 308
reaction('ch3co + ch3 <=> ch2co + ch4', [5.000000e+13, 0.0, 0.0])
# ----------------------------------
# Reaction 309
reaction('ch2cho <=> ch2co + h', [3.094000e+15, -0.26, 50820.03])
# ------------------------------------
# Reaction 310
reaction('ch2co + h <=> ch3 + co', [1.100000e+13, 0.0, 3400.1])
# Reaction 311
reaction('ch2co + o <=> ch2 + co2', [1.750000e+12, 0.0, 1349.9])
# Reaction 312
falloff_reaction('ch2co (+ M) <=> ch2 + co (+ M)',
kf=[3.000000e+14, 0.0, 70979.92],
kf0=[3.600000e+15, 0.0, 59270.08])
# -------------------------------------
# Reaction 313
reaction('hcco + oh => 2 hco', [1.000000e+13, 0.0, 0.0])
# Reaction 314
reaction('2 hco => hcco + oh', [4.820000e+13, 0.0, 40360.0])
# Reaction 315
reaction('hcco + h => ch2 + co', [1.100000e+14, 0.0, 0.0])
# Reaction 316
reaction('ch2 + co => hcco + h', [6.660000e+13, 0.0, 39260.0])
# Reaction 317
reaction('hcco + o <=> h + 2 co', [8.000000e+13, 0.0, 0.0])
# Reaction 318
reaction('hcco + o2 => co2 + hco', [2.400000e+11, 0.0, -854.0])
# Reaction 319
reaction('co2 + hco => hcco + o2', [1.474000e+14, 0.0, 133600.0])
# -------------------------------------
# Reaction 320
reaction('ch3oco => ch3 + co2', [3.590000e+13, -0.17, 16010.0])
# Reaction 321
reaction('ch3 + co2 => ch3oco', [4.760000e+07, 1.54, 34700.0])
# Reaction 322
reaction('ch3oco => ch3o + co', [1.431000e+15, -0.04, 23770.0])
# Reaction 323
reaction('ch3o + co => ch3oco', [1.550000e+06, 2.02, 5730.0])
# -----------------------------------
# Reaction 324
falloff_reaction('ch3oh (+ M) <=> ch3 + oh (+ M)',
kf=[2.084000e+18, -0.615, 92540.551],
kf0=[1.500000e+43, -6.99452, 97992.1913],
falloff=Troe(A=-0.4748, T3=35578.477, T1=1116.46, T2=9023.0))
# Reaction 325
falloff_reaction('ch3oh (+ M) <=> ch2oh + h (+ M)',
kf=[7.896000e-03, 5.038, 84467.37],
kf0=[3.390000e+42, -7.24388, 105230.269],
falloff=Troe(A=-73.91, T3=37053.795, T1=41496.4, T2=5220.0))
# Reaction 326
reaction('ch3oh + h <=> ch2oh + h2', [3.070000e+05, 2.55, 5440.0])
# Reaction 327
reaction('ch3oh + h <=> ch3o + h2', [1.990000e+05, 2.56, 10300.0])
# Reaction 328
reaction('ch3oh + o <=> ch2oh + oh', [3.880000e+05, 2.5, 3080.0])
# Reaction 329
reaction('ch3oh + oh <=> ch2oh + h2o', [3.080000e+04, 2.65, -806.7])
# Reaction 330
reaction('ch3oh + oh <=> ch3o + h2o', [1.500000e+02, 3.03, -763.0])
# Reaction 331
reaction('ch3oh + o2 <=> ch2oh + ho2', [2.050000e+13, 0.0, 44900.0])
# Reaction 332
reaction('ch3oh + ho2 <=> ch2oh + h2o2', [1.080000e+04, 2.55, 10530.0])
# Reaction 333
reaction('ch3oh + ch3 <=> ch2oh + ch4', [3.190000e+01, 3.17, 7172.0])
# Reaction 334
reaction('ch3oh + ch3o <=> ch2oh + ch3oh', [3.000000e+11, 0.0, 4074.0])
# Reaction 335
reaction('ch3oh + hco <=> ch2oh + ch2o', [9.630000e+03, 2.9, 13110.0])
# -----------------------------------
# Reaction 336
reaction('2 ch3o <=> ch3oh + ch2o', [6.030000e+13, 0.0, 0.0])
# Reaction 337
reaction('ch2oh + ch3o <=> ch2o + ch3oh', [2.400000e+13, 0.0, 0.0])
# Reaction 338
reaction('2 ch2oh <=> ch2o + ch3oh', [3.000000e+12, 0.0, 0.0])
# Reaction 339
reaction('ch2oh + o2 <=> ch2o + ho2', [2.410000e+14, 0.0, 5017.0])
# Reaction 340
reaction('ch2oh + h <=> ch2o + h2', [6.000000e+12, 0.0, 0.0])
# Reaction 341
reaction('ch2oh + ho2 <=> ch2o + h2o2', [1.200000e+13, 0.0, 0.0])
# Reaction 342
reaction('ch2oh + hco <=> 2 ch2o', [1.800000e+14, 0.0, 0.0])
# Reaction 343
reaction('ch2oh + oh <=> h2o + ch2o', [2.400000e+13, 0.0, 0.0])
# Reaction 344
reaction('ch2oh + o <=> oh + ch2o', [4.200000e+13, 0.0, 0.0])
# ===================================
# Reaction 345
falloff_reaction('ch3 + h (+ M) <=> ch4 (+ M)',
kf=[2.140000e+15, -0.4, 0.0],
kf0=[3.310000e+30, -4.0, 2108.03],
efficiencies='co:2.0 co2:3.0 h2o:5.0 h2:2.0',
falloff=Troe(A=0.0, T3=1e-15, T1=1e-15, T2=40.0))
# Reaction 346
reaction('ch4 + h => ch3 + h2', [1.727000e+04, 3.0, 8223.95])
# Reaction 347
reaction('ch3 + h2 => ch4 + h', [6.610000e+02, 3.0, 7744.02])
# Reaction 348
reaction('ch4 + oh => ch3 + h2o', [1.930000e+05, 2.4, 2106.12])
# Reaction 349
reaction('ch3 + h2o => ch4 + oh', [4.820000e+02, 2.9, 14859.94])
# Reaction 350
reaction('ch4 + o => ch3 + oh', [2.130000e+06, 2.21, 6479.92])
# Reaction 351
reaction('ch3 + oh => ch4 + o', [3.557000e+04, 2.21, 3919.93])
# Reaction 352
reaction('ch3 + ho2 <=> ch4 + o2', [7.200000e+12, 0.0, 0.0])
# Reaction 353
reaction('ch4 + ho2 <=> ch3 + h2o2', [3.420000e+11, 0.0, 19289.91])
# Reaction 354
reaction('ch3 + ho2 <=> ch3o + oh', [2.200000e+13, 0.0, 0.0])
# Reaction 355
reaction('ch3 + oh <=> ch2o + h2', [2.250000e+13, 0.0, 4299.95])
# Reaction 356
reaction('ch3 + o <=> ch2o + h', [8.000000e+13, 0.0, 0.0])
# Reaction 357
reaction('ch3 + o2 <=> ch3o + o', [1.995000e+18, -1.57, 29210.09])
# Reaction 358
three_body_reaction('ch2 + h + M => ch3 + M', [2.107000e+11, 1.0, -19619.98])
# Reaction 359
three_body_reaction('ch3 + M => ch2 + h + M', [1.968000e+16, 0.0, 92520.08])
# Reaction 360
reaction('ch3 + oh <=> ch2 + h2o', [3.000000e+06, 2.0, 2500.0])
# Reaction 361
reaction('ch3 + o2 <=> ch2o + oh', [7.470000e+11, 0.0, 14250.0])
# ----------------------------
# Reaction 362
three_body_reaction('ch3o2 + M => ch3 + o2 + M', [4.343000e+28, -3.42, 30469.89])
# Reaction 363
three_body_reaction('ch3 + o2 + M => ch3o2 + M', [5.440000e+25, -3.3, 0.0])
# Reaction 364
reaction('ch3o2 + ch3 <=> 2 ch3o', [7.000000e+12, 0.0, -1000.0])
# Reaction 365
reaction('2 ch3o2 => o2 + 2 ch3o', [1.400000e+16, -1.61, 1859.94])
# Reaction 366
reaction('2 ch3o2 => ch2o + ch3oh + o2', [3.110000e+14, -1.61, -1051.0])
# Reaction 367
reaction('ch3o2 + oh <=> ch3oh + o2', [6.000000e+13, 0.0, 0.0])
# Reaction 368
falloff_reaction('ch3o (+ M) <=> ch2o + h (+ M)',
kf=[5.450000e+13, 0.0, 13500.0],
kf0=[2.344000e+25, -2.7, 30599.9])
# Reaction 369
reaction('ch3o + o2 <=> ch2o + ho2', [5.500000e+10, 0.0, 2424.0])
# Reaction 370
three_body_reaction('ch2o + M => hco + h + M', [6.283000e+29, -3.57, 93200.05])
# Reaction 371
three_body_reaction('hco + h + M => ch2o + M', [2.660000e+24, -2.57, 427.1])
# Reaction 372
reaction('ch2o + oh <=> hco + h2o', [3.430000e+09, 1.18, -446.94])
# Reaction 373
reaction('ch2o + h <=> hco + h2', [9.334000e+08, 1.5, 2976.1])
# Reaction 374
reaction('ch2o + o <=> hco + oh', [4.160000e+11, 0.57, 2761.95])
# Reaction 375
reaction('ch2o + ch3 <=> hco + ch4', [3.636000e-06, 5.42, 998.09])
# Reaction 376
reaction('ch2o + ho2 <=> hco + h2o2', [5.820000e-02, 4.53, 6556.88])
# Reaction 377
reaction('ch2 + o2 <=> ch2o + o', [3.290000e+21, -3.3, 2868.07])
# =======================================
# Reaction 378
reaction('ch2 + o2 <=> co + h2o', [7.280000e+19, -2.54, 1809.03])
# Reaction 379
reaction('ch2 + o2 <=> hco + oh', [1.290000e+20, -3.3, 283.94])
# Reaction 380
reaction('ch2 + o2 => co2 + 2 h', [3.290000e+21, -3.3, 2868.07])
# Reaction 381
reaction('ch2 + o2 <=> co2 + h2', [1.010000e+21, -3.3, 1507.89])
# ----------------------------------
# Reaction 382
reaction('hco + oh <=> co + h2o', [1.020000e+14, 0.0, 0.0])
# Reaction 383
three_body_reaction('hco + M => h + co + M', [1.860000e+17, -1.0, 17000.0],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 384
three_body_reaction('h + co + M => hco + M', [6.467000e+13, 0.0, -441.92],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 385
reaction('hco + h <=> co + h2', [7.340000e+13, 0.0, 0.0])
# Reaction 386
reaction('hco + o <=> co + oh', [3.020000e+13, 0.0, 0.0])
# Reaction 387
reaction('hco + ch3 <=> ch4 + co', [1.210000e+14, 0.0, 0.0])
# Reaction 388
reaction('hco + ho2 <=> ch2o + o2', [2.974000e+10, 0.33, -3860.9])
# Reaction 389
reaction('hco + o2 <=> co + ho2', [7.580000e+12, 0.0, 409.89])
# ----------------------------------
# Reaction 390
reaction('co + oh <=> co2 + h', [1.400000e+05, 1.95, -1347.04])
# Reaction 391
reaction('co + ho2 <=> co2 + oh', [3.010000e+13, 0.0, 23000.0])
# Reaction 392
falloff_reaction('co + o (+ M) <=> co2 (+ M)',
kf=[1.800000e+10, 0.0, 2384.08],
kf0=[1.350000e+24, -2.788, 4190.97],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 393
reaction('co + o2 <=> co2 + o', [1.068000e-15, 7.13, 13320.03])
# ====================================
# Reaction 394
reaction('h + o2 => o + oh', [1.970000e+14, 0.0, 16539.91])
# Reaction 395
reaction('o + oh => h + o2', [1.555000e+13, 0.0, 424.95])
# Reaction 396
reaction('o + h2 <=> h + oh', [5.080000e+04, 2.67, 6292.07])
# Reaction 397
reaction('o + h2o => 2 oh', [2.970000e+06, 2.02, 13400.1])
# Reaction 398
reaction('2 oh => o + h2o', [3.013000e+05, 2.02, -3849.9])
# Reaction 399
reaction('oh + h2 => h + h2o', [2.160000e+08, 1.51, 3429.97])
# Reaction 400
reaction('h + h2o => oh + h2', [9.352000e+08, 1.51, 18580.07])
# Reaction 401
three_body_reaction('h + oh + M => h2o + M', [2.250000e+22, -2.0, 0.0],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 402
three_body_reaction('h2o + M => h + oh + M', [1.837000e+27, -3.0, 122599.9],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 403
falloff_reaction('h + o2 (+ M) <=> ho2 (+ M)',
kf=[1.475000e+12, 0.6, 0.0],
kf0=[3.500000e+16, -0.41, -1115.92],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5',
falloff=Troe(A=0.5, T3=1e-30, T1=1e+30, T2=1e+100))
# Reaction 404
reaction('ho2 + o <=> oh + o2', [3.250000e+13, 0.0, 0.0])
# Reaction 405
reaction('ho2 + h <=> 2 oh', [7.080000e+13, 0.0, 299.95])
# Reaction 406
reaction('ho2 + h <=> h2 + o2', [1.660000e+13, 0.0, 820.03])
# Reaction 407
reaction('h2o2 + h <=> h2o + oh', [2.410000e+13, 0.0, 3969.89])
# Reaction 408
three_body_reaction('o + h + M => oh + M', [4.720000e+18, -1.0, 0.0],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 409
three_body_reaction('oh + M => o + h + M', [3.909000e+22, -2.0, 105299.95],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 410
three_body_reaction('2 o + M => o2 + M', [6.170000e+15, -0.5, 0.0],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 411
three_body_reaction('o2 + M => 2 o + M', [6.473000e+20, -1.5, 121500.0],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 412
three_body_reaction('h2 + M => 2 h + M', [4.570000e+19, -1.4, 104400.1],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 413
three_body_reaction('2 h + M => h2 + M', [2.423000e+15, -0.4, -3039.91],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5')
# Reaction 414
reaction('h2o2 + o <=> oh + ho2', [9.550000e+06, 2.0, 3969.89])
# Reaction 415
reaction('h2o2 + h <=> h2 + ho2', [4.820000e+13, 0.0, 7950.05])
# ---------------------------------------
# Reaction 416
reaction('h2o2 + o2 => 2 ho2', [1.839000e+14, -0.66, 39549.95])
# Reaction 417
reaction('2 ho2 => h2o2 + o2', [1.300000e+11, 0.0, -1629.06])
# Reaction 418
reaction('h2o2 + oh <=> h2o + ho2', [2.320000e+14, 0.0, 9559.99])
# Reaction 419
reaction('ho2 + oh <=> h2o + o2', [2.890000e+12, 0.0, -500.0])
# Reaction 420
falloff_reaction('2 oh (+ M) <=> h2o2 (+ M)',
kf=[1.236000e+14, -0.37, 0.0],
kf0=[3.041000e+30, -4.63, 2049.0],
efficiencies='co:1.9 co2:3.8 h2o:12.0 h2:2.5',
falloff=Troe(A=0.47, T3=100.0, T1=2000.0, T2=1000000000000000.0))
# ==================================
# Reaction 421
reaction('h2 + c2h <=> c2h2 + h', [1.080000e+13, 0.0, 2165.0])
# Reaction 422
reaction('c2h2 + c2h <=> c4h2 + h', [9.030000e+13, 0.0, 0.0])
# Reaction 423
reaction('c2h2 + oh <=> c2h + h2o', [6.000000e+13, 0.0, 12920.0])
# Reaction 424
three_body_reaction('c2h2 + M <=> c2h + h + M', [1.140000e+17, 0.0, 106800.0],
efficiencies='o2:0.4 co:0.75 h2o:6.5')
# Reaction 425
reaction('c4h2 + o <=> c3h2 + co', [7.890000e+12, 0.0, 1348.0])
# Reaction 426
reaction('c4h2 + oh <=> c3h2 + hco', [6.680000e+12, 0.0, -408.7])
# Reaction 427
reaction('2 ch2 <=> c2h2 + h2', [1.200000e+13, 0.0, 795.9])
# Reaction 428
reaction('2 ch2 <=> c2h2 + 2 h', [1.080000e+14, 0.0, 795.9])
# Reaction 429
reaction('c2h + c2h3 <=> 2 c2h2', [1.900000e+13, 0.0, 0.0])
# Reaction 430
reaction('c2h + oh <=> ch2 + co', [1.810000e+13, 0.0, 0.0])
# Reaction 431
reaction('c2h3 + o <=> co + ch3', [3.000000e+13, 0.0, 0.0])
# Reaction 432
reaction('c2h3 + oh <=> c2h2 + h2o', [5.000000e+12, 0.0, 0.0])
# Reaction 433
reaction('c2h5 + o <=> ch2o + ch3', [6.620000e+13, 0.0, 0.0])
# Reaction 434
reaction('c3h3 + o <=> c2h2 + co + h', [1.390000e+14, 0.0, 0.0])
# Reaction 435
reaction('c3h3 + oh <=> c3h2 + h2o', [2.000000e+13, 0.0, 0.0])
# Reaction 436
three_body_reaction('c4h3 + M <=> c4h2 + h + M', [1.120000e+16, 0.0, 46510.0],
efficiencies='o2:0.4 co:0.75 h2o:6.5')
# Reaction 437
reaction('c2h2 + ch2 <=> c3h3 + h', [1.200000e+13, 0.0, 6577.0])
# Reaction 438
reaction('2 c2h2 <=> c4h2 + h2', [1.510000e+13, 0.0, 42420.0])
# Reaction 439
reaction('2 c2h3 <=> c2h2 + c2h4', [1.500000e+13, 0.0, 0.0])
# Reaction 440
reaction('2 c2h3 <=> c4h5 + h', [4.000000e+13, 0.0, 0.0])
# Reaction 441
reaction('c2h3 + ch2o <=> c2h4 + hco', [5.420000e+03, 2.81, 5824.0])
# Reaction 442
reaction('c2h3 + h2o2 <=> c2h4 + ho2', [1.210000e+10, 0.0, -590.1])
# Reaction 443
reaction('c2h3 + hco <=> c2h4 + co', [2.500000e+13, 0.0, 0.0])
# Reaction 444
reaction('c2h4 + c2h <=> c4h4 + h', [1.200000e+13, 0.0, 0.0])
# Reaction 445
reaction('c3h2 + o <=> c2h + h + co', [6.800000e+13, 0.0, 0.0])
# Reaction 446
reaction('c3h2 + oh <=> c2h2 + co + h', [5.000000e+13, 0.0, 0.0])
# Reaction 447
reaction('c3h3 + o <=> ch2o + c2h', [1.400000e+14, 0.0, 0.0])
# Reaction 448
reaction('c3h3 + h <=> c3h2 + h2', [5.000000e+12, 0.0, 0.0])
# Reaction 449
reaction('c3h3 + oh <=> hco + c2h3', [4.000000e+13, 0.0, 0.0])
# Reaction 450
reaction('c4h2 + h <=> c4h3', [1.100000e+30, -4.92, 10730.0])
# Reaction 451
reaction('c4h2 + h2 <=> c4h4', [4.000000e+14, 0.0, 53250.0])
# Reaction 452
reaction('c2h2 + c2h <=> c4h3', [4.170000e+36, -7.3, 8723.0])
# Reaction 453
reaction('c3h2 + ch2 <=> c4h3 + h', [3.000000e+13, 0.0, 0.0])
# Reaction 454
reaction('c4h3 + h <=> c4h2 + h2', [5.000000e+13, 0.0, 0.0])
# Reaction 455
reaction('c4h3 + o <=> ch2co + c2h', [2.000000e+13, 0.0, 0.0])
# Reaction 456
reaction('c4h3 + oh <=> c4h2 + h2o', [3.000000e+13, 0.0, 0.0])
# Reaction 457
reaction('c4h3 + h2 <=> c2h2 + c2h3', [5.010000e+10, 0.0, 19870.0])
# Reaction 458
reaction('c4h3 + c2h3 <=> 2 c3h3', [4.000000e+12, 0.0, 0.0])
# Reaction 459
reaction('c4h4 <=> 2 c2h2', [3.400000e+13, 0.0, 76640.0])
# Reaction 460
three_body_reaction('c4h4 + M <=> c4h3 + h + M', [1.100000e+20, 0.0, 98630.0])
# Reaction 461
reaction('c4h4 + o <=> hco + c3h3', [3.200000e+08, 1.44, 549.4])
# Reaction 462
reaction('c3h3 + ch2 <=> h + c4h4', [4.000000e+13, 0.0, 0.0])
# Reaction 463
reaction('c4h4 + c2h <=> c4h2 + c2h3', [1.000000e+13, 0.0, 0.0])
# Reaction 464
reaction('c4h4 + c2h <=> c4h3 + c2h2', [4.000000e+13, 0.0, 0.0])
# Reaction 465
reaction('c4h5 <=> c2h3 + c2h2', [1.000000e+14, 0.0, 43610.0])
# Reaction 466
falloff_reaction('c4h5 (+ M) <=> c4h4 + h (+ M)',
kf=[1.000000e+14, 0.0, 49680.0],
kf0=[2.000000e+15, 0.0, 41730.0])
# Reaction 467
reaction('c4h5 + o2 <=> c4h4 + ho2', [1.000000e+12, 0.0, 2980.0])
# Reaction 468
reaction('c4h5 + h <=> c4h4 + h2', [1.000000e+14, 0.0, 0.0])
# Reaction 469
reaction('c4h5 + oh <=> c4h4 + h2o', [2.000000e+07, 2.0, 999.1])
# Reaction 470
reaction('c4h5 + c2h <=> 2 c3h3', [4.000000e+12, 0.0, 0.0])
# Reaction 471
reaction('c3h3 + c2h3 <=> c5h5 + h', [9.600000e+40, -7.8, 28630.0])
# Reaction 472
reaction('c3h3 + c2h2 <=> c5h5', [2.400000e+11, 0.0, 9995.0])
# Reaction 473
reaction('c5h5 + o <=> c4h5 + co', [1.000000e+13, 0.0, 0.0])
# Reaction 474
reaction('c5h5 + oh <=> ch2o + 2 c2h2', [2.000000e+12, 0.0, 0.0])
# Reaction 475
reaction('c6h5o <=> c5h5 + co', [7.400000e+11, 0.0, 43910.0])
# Reaction 476
reaction('2 c3h3 <=> A1', [1.000000e+36, -7.18, 8413.0])
# Reaction 477
reaction('2 c3h3 <=> A1- + h', [3.000000e+35, -7.18, 8413.0])
# Reaction 478
reaction('c4h3 + c2h3 <=> A1', [3.000000e+13, 0.0, 0.0])
# Reaction 479
reaction('c4h3 + c2h3 <=> A1- + h', [6.000000e+12, 0.0, 0.0])
# Reaction 480
reaction('c2h3 + c4h4 <=> A1 + h', [1.900000e+12, 0.0, 2484.0])
# Reaction 481
reaction('c4h3 + c2h2 <=> A1-', [5.000000e+13, 0.0, 14800.0])
# Reaction 482
reaction('c4h4 + c2h2 <=> A1- + h', [1.000000e+09, 0.0, 29800.0])
# Reaction 483
reaction('c4h5 + c2h2 <=> A1 + h', [1.600000e+15, -1.33, 5365.0])
# Reaction 484
reaction('c4h5 + c2h3 <=> A1 + h2', [1.800000e-13, 7.07, -3577.0])
# Reaction 485
reaction('c4h5 + c2h <=> A1', [1.000000e+13, 0.0, 0.0])
# Reaction 486
reaction('c4h5 + c2h <=> A1- + h', [6.000000e+12, 0.0, 0.0])
# Reaction 487
reaction('A1 <=> A1- + h', [9.000000e+14, 0.0, 107400.0])
# Reaction 488
reaction('A1 <=> c4h4 + c2h2', [9.000000e+14, 0.0, 107400.0])
# Reaction 489
reaction('A1 + o2 <=> A1- + ho2', [6.000000e+13, 0.0, 62590.0])
# Reaction 490
reaction('A1 + o <=> A1- + oh', [2.000000e+13, 0.0, 14700.0])
# Reaction 491
reaction('A1 + o <=> c6h5o + h', [2.200000e+13, 0.0, 4530.0])
# Reaction 492
reaction('A1 + h <=> A1- + h2', [2.510000e+14, 0.0, 16020.0])
# Reaction 493
reaction('A1 + oh <=> A1- + h2o', [1.450000e+13, 0.0, 4491.0])
# Reaction 494
reaction('A1 + c2h <=> A1- + c2h2', [2.000000e+13, 0.0, 0.0])
# Reaction 495
reaction('A1- + o <=> c5h5 + co', [1.000000e+14, 0.0, 0.0])
# Reaction 496
reaction('A1- + oh <=> c6h5o + h', [5.000000e+13, 0.0, 0.0])
# Reaction 497
reaction('c4h5 + c4h2 <=> A1c2h + h', [3.160000e+11, 0.0, 1788.0])
# Reaction 498
falloff_reaction('A1c2h- + h (+ M) <=> A1c2h (+ M)',
kf=[1.000000e+14, 0.0, 0.0],
kf0=[6.600000e+75, -16.3, 13910.0],
efficiencies='co:1.5 h2o:6.0 h2:2.0',
falloff=Troe(A=1.0, T3=0.1, T1=584.9, T2=6113.0))
# Reaction 499
reaction('c4h3 + c4h2 <=> A1c2h-', [9.600000e+70, -17.77, 31120.0])
# Reaction 500
reaction('A1- + c4h2 <=> A1c2h + c2h', [2.000000e+13, 0.0, 21860.0])
# Reaction 501
reaction('A1- + c2h3 <=> A1c2h + h2', [7.900000e+12, 0.0, 6358.0])
# Reaction 502
reaction('A1- + c4h4 <=> A1c2h + c2h3', [3.200000e+11, 0.0, 1352.0])
# Reaction 503
reaction('A1 + c2h <=> A1c2h + h', [1.000000e+12, 0.0, 0.0])
# Reaction 504
reaction('A1- + c2h <=> A1c2h', [5.240000e+14, -0.5, 596.1])
# Reaction 505
reaction('A1c2h + o <=> A1c2h- + oh', [1.100000e+13, 0.0, 8147.0])
# Reaction 506
reaction('A1c2h + o <=> c6h5o + c2h', [2.200000e+13, 0.0, 4491.0])
# Reaction 507
reaction('A1c2h + h <=> A1c2h- + h2', [2.700000e+13, 0.0, 9701.0])
# Reaction 508
reaction('A1c2h + h <=> A1- + c2h2', [2.000000e+14, 0.0, 9701.0])
# Reaction 509
reaction('A1c2h + oh <=> A1c2h- + h2o', [2.100000e+13, 0.0, 4570.0])
# Reaction 510
reaction('A1c2h + oh <=> A1- + ch2co', [2.180000e-04, 4.5, -993.5])
# Reaction 511
reaction('A1c2h + c2h <=> A1c2h- + c2h2', [2.000000e+13, 0.0, 0.0])
# Reaction 512
reaction('2 c4h4 <=> A1c2h3', [1.800000e+20, -1.9, 40200.0])
# Reaction 513
reaction('c4h5 + c4h4 <=> A1c2h3 + h', [3.160000e+11, 0.0, 596.1])
# Reaction 514
reaction('A1 + c2h3 <=> A1c2h3 + h', [7.900000e+11, 0.0, 6358.0])
# Reaction 515
reaction('A1- + c2h3 <=> A1c2h3', [1.060000e+26, -4.0, 5266.0])
# Reaction 516
reaction('A1- + c2h4 <=> A1c2h3 + h', [2.510000e+12, 0.0, 6150.0])
# Reaction 517
reaction('A1c2h3 + o <=> A1- + ch2cho', [3.000000e+08, 1.45, 894.2])
# Reaction 518
reaction('A1c2h3 + o <=> A1- + ch3 + co', [1.920000e+07, 1.83, 218.6])
# Reaction 519
reaction('c4h5 + A1 => A2 + h2 + h', [5.000000e+11, 0.0, 2987.0])
# Reaction 520
reaction('2 c5h5 <=> A2 + 2 h', [4.300000e+13, 0.0, 9713.0])
# Reaction 521
reaction('2 c5h5 <=> A2 + h2', [4.300000e+36, -6.3, 45370.0])
# Reaction 522
reaction('A1- + c4h3 <=> A2', [3.180000e+23, -3.2, 4232.0])
# Reaction 523
reaction('A1- + c4h3 <=> A2- + h', [2.000000e-10, 7.1, 1562.0])
# Reaction 524
reaction('A1- + c4h4 <=> A2 + h', [3.300000e+33, -5.7, 25330.0])
# Reaction 525
reaction('A1c2h- + c2h2 <=> A2-', [4.000000e+13, 0.0, 10130.0])
# Reaction 526
reaction('A2 + o <=> ch2co + A1c2h', [2.200000e+13, 0.0, 4501.0])
# Reaction 527
reaction('A2 + o <=> A2- + oh', [2.000000e+13, 0.0, 14700.0])
# Reaction 528
reaction('A2 + h <=> A2- + h2', [2.500000e+14, 0.0, 15900.0])
# Reaction 529
reaction('A2 + oh <=> A2- + h2o', [2.100000e+13, 0.0, 4570.0])
# Reaction 530
reaction('A2 + oh => A1c2h + ch2co + h', [1.300000e+13, 0.0, 10530.0])
# Reaction 531
reaction('A2- + h <=> A2', [7.800000e+13, 0.0, 0.0])
# Reaction 532
reaction('A1c2h- + c4h4 <=> A2r5 + h', [1.600000e+16, -1.33, 6557.0])
# Reaction 533
reaction('A2- + c2h2 <=> A2r5 + h', [1.900000e+31, -5.26, 20860.0])
# Reaction 534
reaction('A2r5 <=> A1c2h + c4h2', [2.000000e+16, 0.0, 115200.0])
# Reaction 535
reaction('A2r5 + oh <=> A2- + ch2co', [1.000000e+13, 0.0, 9935.0])
# Reaction 536
reaction('c4h2 + A2r5 => A4', [2.413000e+02, 2.2313, -1131.0])
# Reaction 537
reaction('A1c2h + A1c2h- <=> A4 + h', [1.100000e+24, -2.92, 15920.0])
# Reaction 538
reaction('A2 + A1- <=> A4 + h + h2', [1.000000e+11, 0.0, 4968.0])
# Reaction 539
reaction('A2- + A1 <=> A4 + h + h2', [1.000000e+12, 0.0, 4968.0])
# Reaction 540
reaction('A2- + A1- => A4 + h2', [4.300000e+37, -6.3, 44770.0])
# Reaction 541
reaction('A1c2h + A1- <=> A3 + h', [1.100000e+23, -2.92, 15920.0])
# Reaction 542
reaction('A1c2h- + A1 <=> A3 + h', [1.100000e+23, -2.92, 15920.0])
# Reaction 543
reaction('A2- + c4h4 <=> A3 + h', [3.300000e+33, -5.7, 25330.0])
# Reaction 544
reaction('A2- + c4h2 <=> A3-', [3.300000e+33, -5.7, 25330.0])
# Reaction 545
reaction('A2r5 + c2h2 => A3', [2.765000e+04, 2.45, 29080.0])
# Reaction 546
reaction('A2 + c4h2 => A3', [2.765000e+04, 2.45, 29080.0])
# Reaction 547
reaction('A3 + o <=> A3- + oh', [2.000000e+13, 0.0, 14700.0])
# Reaction 548
reaction('A3 + h <=> A3- + h2', [2.500000e+14, 0.0, 15900.0])
# Reaction 549
reaction('A3 + oh <=> A3- + h2o', [1.700000e+12, 1.42, 1496.0])
# Reaction 550
reaction('A3- + o2 => co + hco + A2r5', [2.000000e+12, 0.0, 7352.0])
# Reaction 551
reaction('A3- + h <=> A3', [1.000000e+14, 0.0, 0.0])
# Reaction 552
reaction('A3- + c2h2 <=> A4 + h', [6.600000e+24, -3.36, 17680.0])
# Reaction 553
reaction('A4 + oh <=> A3- + ch2co', [2.000000e+13, 0.0, 41730.0])
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