7431 lines
256 KiB
Text
7431 lines
256 KiB
Text
"""
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|
Seiser, H., Pitsch, H., Seshadri, K., Pitz, W.J., and Curran, H. J.,
|
|
"Extinction and Autoignition of n-Heptane in Counterflow Configuration",
|
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Proceedings of the Combustion Institute, Volume 28, p. 2029-2037, 2000.
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UCRL-WEB-204236
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|
Review and release date: May 19, 2004.
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|
|
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Seiser, H., Pitsch, H., Seshadri, K., Pitz, W.J., and Curran, H. J.,
|
|
"Extinction and Autoignition of n-Heptane in Counterflow Configuration",
|
|
Proceedings of the Combustion Institute, Volume 28, p. 2029-2037, 2000.
|
|
UCRL-WEB-204236
|
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Review and release date: May 19, 2004.
|
|
|
|
"""
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|
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units(length='cm', time='s', quantity='mol', act_energy='cal/mol')
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|
|
|
ideal_gas(name='gas',
|
|
elements="N C H O",
|
|
species="""n2 ch3 h
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ch4 h2 oh
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|
h2o o c2h6
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c2h5 hco co
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co2 o2 h2o2
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ho2 c2h4 ch3oh
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ch2oh ch3o ch2o
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c2h2 c2h3 c2h
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|
hcco ch2 ch
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ch2co ch2(s) pc2h4oh
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ch3co ch3cho c3h5-s
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|
c3h4-p c3h5-a c3h6
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|
c3h4-a ch3chco c3h5-t
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|
c4h6 nc3h7 ic3h7
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|
c3h8 c5h9 c4h7
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|
c4h8-1 sc4h9 pc4h9
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ch3coch3 ch3coch2 c2h5co
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|
c2h5cho c5h10-1 ch2cho
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|
c5h11-1 c5h11-2 c2h5o
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|
c2h5o2 ch3o2 ch3o2h
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|
c3h2 o2c2h4oh c2h4o2h
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|
c2h3co c2h3cho c3h5o
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|
c3h6o1-2 c3h6ooh1-2 c3h6ooh2-1
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nc3h7o ic3h7o nc3h7o2
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|
ic3h7o2 c4h7o c4h8ooh1-3o2
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|
c4h8ooh1-3 nc4ket13 c4h8ooh1-2
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c4h8o1-3 pc4h9o2 c3h3
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hocho c2h3o1,2 nc3h7cho
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nc3h7co c3h6cho-2 ch2ch2coch3
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c2h5coch2 c2h5coc2h4p nc3h7coch2
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nc4h9cho nc4h9co hoch2o
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|
c6h13-1 c6h12-1 c6h11
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|
nc7h16 c7h15-1 c7h15-2
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|
c7h15-3 c7h15-4 c7h15o2-1
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|
c7h15o2h-1 c7h15o2-2 c7h15o2h-2
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c7h15o2-3 c7h15o2h-3 c7h14-1
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c7h14-2 c7h14-3 c7h13
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c7h15o2-4 c7h15o-1 c7h15o-2
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|
c7h15o-3 c7h14ooh1-2 c7h14ooh1-3
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c7h14ooh1-4 c7h14ooh2-3 c7h14ooh2-4
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c7h14ooh2-5 c7h14ooh3-1 c7h14ooh3-2
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c7h14ooh3-4 c7h14ooh3-5 c7h14ooh3-6
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c7h14ooh4-2 c7h14ooh4-3 c7h14o1-3
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c7h14o1-4 c7h14o2-4 c7h14o2-5
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c7h14o3-5 c7h14ooh1-3o2 c7h14ooh2-3o2
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c7h14ooh2-4o2 c7h14ooh2-5o2 c7h14ooh3-1o2
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c7h14ooh3-2o2 c7h14ooh3-4o2 c7h14ooh3-5o2
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c7h14ooh3-6o2 c7h14ooh4-2o2 c7h14ooh4-3o2
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nc7ket13 nc7ket23 nc7ket24
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nc7ket25 nc7ket31 nc7ket32
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nc7ket34 nc7ket35 nc7ket36
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nc7ket42 nc7ket43 nc4h9coch2
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c4h7ooh1-4 c5h9ooh1-4 c4h7o1-4
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c5h9o1-4""",
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reactions='all',
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transport='Mix',
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initial_state=state(temperature=300.0, pressure=OneAtm))
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|
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#-------------------------------------------------------------------------------
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# Species data
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#-------------------------------------------------------------------------------
|
|
|
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species(name=u'n2',
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atoms='N:2',
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|
thermo=(NASA([300.00, 1000.00],
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|
[ 3.29867700E+00, 1.40824000E-03, -3.96322200E-06,
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5.64151500E-09, -2.44485500E-12, -1.02090000E+03,
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|
3.95037200E+00]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 2.92664000E+00, 1.48797700E-03, -5.68476100E-07,
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|
1.00970400E-10, -6.75335100E-15, -9.22797700E+02,
|
|
5.98052800E+00])),
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|
transport=gas_transport(geom='linear',
|
|
diam=3.621,
|
|
well_depth=97.53,
|
|
polar=1.76,
|
|
rot_relax=4.0),
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|
note=u'121286')
|
|
|
|
species(name=u'ch3',
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atoms='H:3 C:1',
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|
thermo=(NASA([300.00, 1000.00],
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|
[ 2.43044300E+00, 1.11241000E-02, -1.68022000E-05,
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|
1.62182900E-08, -5.86495300E-12, 1.64237800E+04,
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6.78979400E+00]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 2.84405200E+00, 6.13797400E-03, -2.23034500E-06,
|
|
3.78516100E-10, -2.45215900E-14, 1.64378100E+04,
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5.45269700E+00])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=3.8,
|
|
well_depth=144.0),
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|
note=u'121286')
|
|
|
|
species(name=u'h',
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atoms='H:1',
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|
thermo=(NASA([300.00, 1000.00],
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|
[ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00,
|
|
0.00000000E+00, 0.00000000E+00, 2.54716300E+04,
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-4.60117600E-01]),
|
|
NASA([1000.00, 5000.00],
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|
[ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00,
|
|
0.00000000E+00, 0.00000000E+00, 2.54716300E+04,
|
|
-4.60117600E-01])),
|
|
transport=gas_transport(geom='atom',
|
|
diam=2.05,
|
|
well_depth=145.0),
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note=u'120186')
|
|
|
|
species(name=u'ch4',
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atoms='H:4 C:1',
|
|
thermo=(NASA([300.00, 1000.00],
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|
[ 7.78741500E-01, 1.74766800E-02, -2.78340900E-05,
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|
3.04970800E-08, -1.22393100E-11, -9.82522900E+03,
|
|
1.37221900E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 1.68347900E+00, 1.02372400E-02, -3.87512900E-06,
|
|
6.78558500E-10, -4.50342300E-14, -1.00807900E+04,
|
|
9.62339500E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.746,
|
|
well_depth=141.4,
|
|
polar=2.6,
|
|
rot_relax=13.0),
|
|
note=u'121286')
|
|
|
|
species(name=u'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])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=2.92,
|
|
well_depth=38.0,
|
|
polar=0.79,
|
|
rot_relax=280.0),
|
|
note=u'121286')
|
|
|
|
species(name=u'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])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=2.75,
|
|
well_depth=80.0),
|
|
note=u'8/12/99therm')
|
|
|
|
species(name=u'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])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=2.605,
|
|
well_depth=572.4,
|
|
dipole=1.844,
|
|
rot_relax=4.0),
|
|
note=u'20387')
|
|
|
|
species(name=u'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])),
|
|
transport=gas_transport(geom='atom',
|
|
diam=2.75,
|
|
well_depth=80.0),
|
|
note=u'120186')
|
|
|
|
species(name=u'c2h6',
|
|
atoms='H:6 C:2',
|
|
thermo=(NASA([300.00, 1384.00],
|
|
[-2.52854344E-02, 2.40764754E-02, -1.11893472E-05,
|
|
2.08340901E-09, -5.29868616E-14, -1.12345534E+04,
|
|
2.11648750E+01]),
|
|
NASA([1384.00, 5000.00],
|
|
[ 6.10683385E+00, 1.29236361E-02, -4.42527196E-06,
|
|
6.87391726E-10, -3.98901732E-14, -1.37500014E+04,
|
|
-1.30081250E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.35,
|
|
well_depth=247.5,
|
|
rot_relax=1.5),
|
|
note=u'1/14/95therm')
|
|
|
|
species(name=u'c2h5',
|
|
atoms='H:5 C:2',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 2.69070200E+00, 8.71913300E-03, 4.41983900E-06,
|
|
9.33870300E-10, -3.92777300E-12, 1.28704000E+04,
|
|
1.21382000E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 7.19048000E+00, 6.48407700E-03, -6.42806500E-07,
|
|
-2.34787900E-10, 3.88087700E-14, 1.06745500E+04,
|
|
-1.47808900E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.35,
|
|
well_depth=247.5,
|
|
rot_relax=1.5),
|
|
note=u'12387')
|
|
|
|
species(name=u'hco',
|
|
atoms='H:1 C:1 O:1',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 2.89833000E+00, 6.19914700E-03, -9.62308400E-06,
|
|
1.08982500E-08, -4.57488500E-12, 4.15992200E+03,
|
|
8.98361400E+00]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 3.55727100E+00, 3.34557300E-03, -1.33500600E-06,
|
|
2.47057300E-10, -1.71385100E-14, 3.91632400E+03,
|
|
5.55229900E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.59,
|
|
well_depth=498.0),
|
|
note=u'121286')
|
|
|
|
species(name=u'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])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=3.65,
|
|
well_depth=98.1,
|
|
polar=1.95,
|
|
rot_relax=1.8),
|
|
note=u'121286')
|
|
|
|
species(name=u'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])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=3.763,
|
|
well_depth=244.0,
|
|
polar=2.65,
|
|
rot_relax=2.1),
|
|
note=u'121286')
|
|
|
|
species(name=u'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])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=3.458,
|
|
well_depth=107.4,
|
|
polar=1.6,
|
|
rot_relax=3.8),
|
|
note=u'121386')
|
|
|
|
species(name=u'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])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.458,
|
|
well_depth=107.4,
|
|
rot_relax=3.8),
|
|
note=u'120186')
|
|
|
|
species(name=u'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])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.458,
|
|
well_depth=107.4,
|
|
rot_relax=1.0),
|
|
note=u'8/12/99therm')
|
|
|
|
species(name=u'c2h4',
|
|
atoms='H:4 C:2',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[-8.61488000E-01, 2.79616300E-02, -3.38867700E-05,
|
|
2.78515200E-08, -9.73787900E-12, 5.57304600E+03,
|
|
2.42114900E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 3.52841900E+00, 1.14851800E-02, -4.41838500E-06,
|
|
7.84460100E-10, -5.26684800E-14, 4.42828900E+03,
|
|
2.23038900E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.496,
|
|
well_depth=238.4,
|
|
rot_relax=1.5),
|
|
note=u'121286')
|
|
|
|
species(name=u'ch3oh',
|
|
atoms='H:4 C:1 O:1',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 2.66011500E+00, 7.34150800E-03, 7.17005100E-06,
|
|
-8.79319400E-09, 2.39057000E-12, -2.53534800E+04,
|
|
1.12326300E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 4.02906100E+00, 9.37659300E-03, -3.05025400E-06,
|
|
4.35879300E-10, -2.22472300E-14, -2.61579100E+04,
|
|
2.37819600E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.626,
|
|
well_depth=481.8,
|
|
rot_relax=1.0),
|
|
note=u'121686')
|
|
|
|
species(name=u'ch2oh',
|
|
atoms='H:3 C:1 O:1',
|
|
thermo=(NASA([250.00, 1000.00],
|
|
[ 2.86262800E+00, 1.00152700E-02, -5.28543600E-07,
|
|
-5.13854000E-09, 2.24604100E-12, -3.34967900E+03,
|
|
1.03979400E+01]),
|
|
NASA([1000.00, 4000.00],
|
|
[ 6.32752000E+00, 3.60827100E-03, -3.20154700E-07,
|
|
-1.93875000E-10, 3.50970500E-14, -4.47450900E+03,
|
|
-8.32936600E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.69,
|
|
well_depth=417.0,
|
|
dipole=1.7,
|
|
rot_relax=2.0),
|
|
note=u'120186')
|
|
|
|
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, 2.07561100E-12, 9.78601100E+02,
|
|
1.31521800E+01]),
|
|
NASA([1000.00, 3000.00],
|
|
[ 3.77080000E+00, 7.87149700E-03, -2.65638400E-06,
|
|
3.94443100E-10, -2.11261600E-14, 1.27832500E+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'ch2o',
|
|
atoms='H:2 C:1 O:1',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 1.65273100E+00, 1.26314400E-02, -1.88816800E-05,
|
|
2.05003100E-08, -8.41323700E-12, -1.48654000E+04,
|
|
1.37848200E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 2.99560600E+00, 6.68132100E-03, -2.62895500E-06,
|
|
4.73715300E-10, -3.21251700E-14, -1.53203700E+04,
|
|
6.91257200E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.59,
|
|
well_depth=498.0,
|
|
rot_relax=2.0),
|
|
note=u'121286')
|
|
|
|
species(name=u'c2h2',
|
|
atoms='H:2 C:2',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 2.01356200E+00, 1.51904500E-02, -1.61631900E-05,
|
|
9.07899200E-09, -1.91274600E-12, 2.61244400E+04,
|
|
8.80537800E+00]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 4.43677000E+00, 5.37603900E-03, -1.91281700E-06,
|
|
3.28637900E-10, -2.15671000E-14, 2.56676600E+04,
|
|
-2.80033800E+00])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=3.721,
|
|
well_depth=265.3,
|
|
rot_relax=2.5),
|
|
note=u'121386')
|
|
|
|
species(name=u'c2h3',
|
|
atoms='H:3 C:2',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 2.45927600E+00, 7.37147600E-03, 2.10987300E-06,
|
|
-1.32164200E-09, -1.18478400E-12, 3.33522500E+04,
|
|
1.15562000E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 5.93346800E+00, 4.01774600E-03, -3.96674000E-07,
|
|
-1.44126700E-10, 2.37864400E-14, 3.18543500E+04,
|
|
-8.53031300E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.721,
|
|
well_depth=265.3,
|
|
rot_relax=1.0),
|
|
note=u'12787')
|
|
|
|
species(name=u'c2h',
|
|
atoms='H:1 C:2',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 2.73770400E+00, 8.04844600E-03, -9.24431000E-06,
|
|
6.52525900E-09, -1.93958000E-12, 6.68381300E+04,
|
|
7.30022000E+00]),
|
|
NASA([1000.00, 4000.00],
|
|
[ 3.98636700E+00, 3.14312300E-03, -1.26724300E-06,
|
|
2.92436300E-10, -2.71632000E-14, 6.65588400E+04,
|
|
1.19106300E+00])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=3.721,
|
|
well_depth=265.3,
|
|
rot_relax=2.5),
|
|
note=u'81193')
|
|
|
|
species(name=u'hcco',
|
|
atoms='H:1 C:2 O:1',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 5.04796500E+00, 4.45347800E-03, 2.26828300E-07,
|
|
-1.48209500E-09, 2.25074200E-13, 1.96589200E+04,
|
|
4.81843900E-01]),
|
|
NASA([1000.00, 4000.00],
|
|
[ 6.75807300E+00, 2.00040000E-03, -2.02760700E-07,
|
|
-1.04113200E-10, 1.96516500E-14, 1.90151300E+04,
|
|
-9.07126200E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=2.5,
|
|
well_depth=150.0,
|
|
rot_relax=1.0),
|
|
note=u'32387')
|
|
|
|
species(name=u'ch2',
|
|
atoms='H:2 C:1',
|
|
thermo=(NASA([250.00, 1000.00],
|
|
[ 3.76223700E+00, 1.15981900E-03, 2.48958500E-07,
|
|
8.80083600E-10, -7.33243500E-13, 4.53679100E+04,
|
|
1.71257800E+00]),
|
|
NASA([1000.00, 4000.00],
|
|
[ 3.63640800E+00, 1.93305700E-03, -1.68701600E-07,
|
|
-1.00989900E-10, 1.80825600E-14, 4.53413400E+04,
|
|
2.15656100E+00])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=3.8,
|
|
well_depth=144.0),
|
|
note=u'120186')
|
|
|
|
species(name=u'ch',
|
|
atoms='H:1 C:1',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 3.20020200E+00, 2.07287600E-03, -5.13443100E-06,
|
|
5.73389000E-09, -1.95553300E-12, 7.04525900E+04,
|
|
3.33158800E+00]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 2.19622300E+00, 2.34038100E-03, -7.05820100E-07,
|
|
9.00758200E-11, -3.85504000E-15, 7.08672300E+04,
|
|
9.17837300E+00])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=2.75,
|
|
well_depth=80.0),
|
|
note=u'121286')
|
|
|
|
species(name=u'ch2co',
|
|
atoms='H:2 C:2 O:1',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 2.97497100E+00, 1.21187100E-02, -2.34504600E-06,
|
|
-6.46668500E-09, 3.90564900E-12, -7.63263700E+03,
|
|
8.67355300E+00]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 6.03881700E+00, 5.80484000E-03, -1.92095400E-06,
|
|
2.79448500E-10, -1.45886800E-14, -8.58340200E+03,
|
|
-7.65758100E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.97,
|
|
well_depth=436.0,
|
|
rot_relax=2.0),
|
|
note=u'121686')
|
|
|
|
species(name=u'ch2(s)',
|
|
atoms='H:2 C:1',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 3.97126500E+00, -1.69908900E-04, 1.02536900E-06,
|
|
2.49255100E-09, -1.98126600E-12, 4.98936800E+04,
|
|
5.75320700E-02]),
|
|
NASA([1000.00, 4000.00],
|
|
[ 3.55288900E+00, 2.06678800E-03, -1.91411600E-07,
|
|
-1.10467300E-10, 2.02135000E-14, 4.98497500E+04,
|
|
1.68657000E+00])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=3.8,
|
|
well_depth=144.0),
|
|
note=u'31287')
|
|
|
|
species(name=u'pc2h4oh',
|
|
atoms='H:5 C:2 O:1',
|
|
thermo=(NASA([300.00, 1391.00],
|
|
[ 1.17714711E+00, 2.48115685E-02, -1.50299503E-05,
|
|
4.79006785E-09, -6.40994211E-13, -4.95369043E+03,
|
|
2.20081586E+01]),
|
|
NASA([1391.00, 5000.00],
|
|
[ 7.52241939E+00, 1.10492715E-02, -3.72576465E-06,
|
|
5.72827397E-10, -3.30061759E-14, -7.29333590E+03,
|
|
-1.24958732E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.41,
|
|
well_depth=470.6,
|
|
rot_relax=1.5),
|
|
note=u'3/12/95therm')
|
|
|
|
species(name=u'ch3co',
|
|
atoms='H:3 C:2 O:1',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 3.12527800E+00, 9.77822000E-03, 4.52144800E-06,
|
|
-9.00946200E-09, 3.19371800E-12, -4.10850800E+03,
|
|
1.12288500E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 5.61227900E+00, 8.44988600E-03, -2.85414700E-06,
|
|
4.23837600E-10, -2.26840400E-14, -5.18786300E+03,
|
|
-3.27494900E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.97,
|
|
well_depth=436.0,
|
|
rot_relax=2.0),
|
|
note=u'120186')
|
|
|
|
species(name=u'ch3cho',
|
|
atoms='H:4 C:2 O:1',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 2.50569500E+00, 1.33699100E-02, 4.67195300E-06,
|
|
-1.12814000E-08, 4.26356600E-12, -2.12458900E+04,
|
|
1.33508900E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 5.86865000E+00, 1.07942400E-02, -3.64553000E-06,
|
|
5.41291200E-10, -2.89684400E-14, -2.26456900E+04,
|
|
-6.01294600E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.97,
|
|
well_depth=436.0,
|
|
rot_relax=2.0),
|
|
note=u'120186')
|
|
|
|
species(name=u'c3h5-s',
|
|
atoms='H:5 C:3',
|
|
thermo=(NASA([300.00, 1390.00],
|
|
[ 1.32807335E+00, 2.53107914E-02, -1.51530439E-05,
|
|
4.74345565E-09, -6.24666084E-13, 3.06873903E+04,
|
|
1.83328787E+01]),
|
|
NASA([1390.00, 5000.00],
|
|
[ 7.88765879E+00, 1.13012591E-02, -3.84213130E-06,
|
|
5.93982677E-10, -3.43567175E-14, 2.82377716E+04,
|
|
-1.74291589E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.22,
|
|
well_depth=316.0,
|
|
rot_relax=1.0),
|
|
note=u'5/27/97therm')
|
|
|
|
species(name=u'c3h4-p',
|
|
atoms='H:4 C:3',
|
|
thermo=(NASA([300.00, 1400.00],
|
|
[ 3.02973000E+00, 1.49896100E-02, -1.39850000E-06,
|
|
-3.96961900E-09, 1.38821700E-12, 2.14840800E+04,
|
|
8.00459400E+00]),
|
|
NASA([1400.00, 4000.00],
|
|
[ 9.76810200E+00, 5.21915100E-03, -3.75314000E-07,
|
|
-2.99219100E-10, 5.10787800E-14, 1.86027700E+04,
|
|
-3.02067800E+01])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=4.29,
|
|
well_depth=324.8,
|
|
rot_relax=1.0),
|
|
note=u'101993')
|
|
|
|
species(name=u'c3h5-a',
|
|
atoms='H:5 C:3',
|
|
thermo=(NASA([300.00, 1397.00],
|
|
[-5.29131958E-01, 3.34559100E-02, -2.53401027E-05,
|
|
1.02865754E-08, -1.73258340E-12, 1.93834226E+04,
|
|
2.53067131E+01]),
|
|
NASA([1397.00, 5000.00],
|
|
[ 8.45883958E+00, 1.12695483E-02, -3.83792864E-06,
|
|
5.94059119E-10, -3.43918030E-14, 1.63576092E+04,
|
|
-2.25809450E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.22,
|
|
well_depth=316.0,
|
|
rot_relax=1.0),
|
|
note=u'5/27/97therm')
|
|
|
|
species(name=u'c3h6',
|
|
atoms='H:6 C:3',
|
|
thermo=(NASA([300.00, 1388.00],
|
|
[ 3.94615444E-01, 2.89107662E-02, -1.54886808E-05,
|
|
3.88814209E-09, -3.37890352E-13, 1.06688164E+03,
|
|
2.19003736E+01]),
|
|
NASA([1388.00, 5000.00],
|
|
[ 8.01595958E+00, 1.37023634E-02, -4.66249733E-06,
|
|
7.21254402E-10, -4.17370126E-14, -1.87821271E+03,
|
|
-2.00160668E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.14,
|
|
well_depth=307.8,
|
|
rot_relax=1.0),
|
|
note=u'5/27/97therm')
|
|
|
|
species(name=u'c3h4-a',
|
|
atoms='H:4 C:3',
|
|
thermo=(NASA([300.00, 1400.00],
|
|
[ 2.53983100E+00, 1.63343700E-02, -1.76495000E-06,
|
|
-4.64736500E-09, 1.72913100E-12, 2.25124300E+04,
|
|
9.93570200E+00]),
|
|
NASA([1400.00, 4000.00],
|
|
[ 9.77625600E+00, 5.30213800E-03, -3.70111800E-07,
|
|
-3.02638600E-10, 5.08958100E-14, 1.95497200E+04,
|
|
-3.07706100E+01])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=4.29,
|
|
well_depth=324.8,
|
|
rot_relax=1.0),
|
|
note=u'101993')
|
|
|
|
species(name=u'ch3chco',
|
|
atoms='H:4 C:3 O:1',
|
|
thermo=(NASA([300.00, 1400.00],
|
|
[ 1.48380119E+00, 3.22203013E-02, -2.70250033E-05,
|
|
1.20499164E-08, -2.18365931E-12, -1.15276540E+04,
|
|
1.71552068E+01]),
|
|
NASA([1400.00, 5000.00],
|
|
[ 1.00219123E+01, 9.56966300E-03, -3.26221644E-06,
|
|
5.05231706E-10, -2.92593257E-14, -1.42482738E+04,
|
|
-2.77829973E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.12,
|
|
well_depth=443.2,
|
|
rot_relax=1.0),
|
|
note=u'03/03/95therm')
|
|
|
|
species(name=u'c3h5-t',
|
|
atoms='H:5 C:3',
|
|
thermo=(NASA([300.00, 1382.00],
|
|
[ 2.17916644E+00, 2.03826623E-02, -7.91413834E-06,
|
|
4.76906187E-10, 2.70398536E-13, 2.94895338E+04,
|
|
1.48785684E+01]),
|
|
NASA([1382.00, 5000.00],
|
|
[ 7.37492443E+00, 1.17510061E-02, -4.00021283E-06,
|
|
6.18947395E-10, -3.58215018E-14, 2.72874911E+04,
|
|
-1.43478655E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.22,
|
|
well_depth=316.0,
|
|
rot_relax=1.0),
|
|
note=u'5/27/97therm')
|
|
|
|
species(name=u'c4h6',
|
|
atoms='H:6 C:4',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 3.19710800E+00, 2.02559200E-02, 6.51019200E-06,
|
|
-1.65844200E-08, 6.40028200E-12, 1.57152000E+04,
|
|
9.89566000E+00]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 8.04658300E+00, 1.64852500E-02, -5.52222700E-06,
|
|
8.12359300E-10, -4.29507800E-14, 1.37013000E+04,
|
|
-1.80045800E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.72,
|
|
well_depth=357.0,
|
|
rot_relax=1.0),
|
|
note=u'120186')
|
|
|
|
species(name=u'nc3h7',
|
|
atoms='H:7 C:3',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 1.92253700E+00, 2.47892700E-02, 1.81024900E-06,
|
|
-1.78326600E-08, 8.58299600E-12, 9.71328100E+03,
|
|
1.39927100E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 7.97829100E+00, 1.57611300E-02, -5.17324300E-06,
|
|
7.44389200E-10, -3.82497800E-14, 7.57940200E+03,
|
|
-1.93561100E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.81,
|
|
well_depth=303.4,
|
|
rot_relax=1.0),
|
|
note=u'120186')
|
|
|
|
species(name=u'ic3h7',
|
|
atoms='H:7 C:3',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 1.71330000E+00, 2.54261600E-02, 1.58080800E-06,
|
|
-1.82128600E-08, 8.82771000E-12, 7.53580900E+03,
|
|
1.29790100E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 8.06336900E+00, 1.57448800E-02, -5.18239200E-06,
|
|
7.47724500E-10, -3.85442200E-14, 5.31387100E+03,
|
|
-2.19264700E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.81,
|
|
well_depth=303.4,
|
|
rot_relax=1.0),
|
|
note=u'120186')
|
|
|
|
species(name=u'c3h8',
|
|
atoms='H:8 C:3',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 8.96920800E-01, 2.66898600E-02, 5.43142500E-06,
|
|
-2.12600100E-08, 9.24333000E-12, -1.39549200E+04,
|
|
1.93553300E+01]),
|
|
NASA([1000.00, 5000.00],
|
|
[ 7.52521700E+00, 1.88903400E-02, -6.28392400E-06,
|
|
9.17937300E-10, -4.81241000E-14, -1.64645500E+04,
|
|
-1.78439000E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.81,
|
|
well_depth=303.4,
|
|
rot_relax=1.0),
|
|
note=u'120186')
|
|
|
|
species(name=u'c5h9',
|
|
atoms='H:9 C:5',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[-1.38013950E+00, 5.57608487E-02, -3.70143928E-05,
|
|
1.26883901E-08, -1.78538835E-12, 1.25589824E+04,
|
|
3.26441304E+01]),
|
|
NASA([1392.00, 5000.00],
|
|
[ 1.41860454E+01, 2.07128899E-02, -7.06960617E-06,
|
|
1.09607133E-09, -6.35322208E-14, 7.00496135E+03,
|
|
-5.14501773E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.458,
|
|
well_depth=396.8,
|
|
rot_relax=1.0),
|
|
note=u'1/14/99therm')
|
|
|
|
species(name=u'c4h7',
|
|
atoms='H:7 C:4',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[-3.50508352E-01, 4.26511243E-02, -2.90979373E-05,
|
|
1.05403914E-08, -1.60059854E-12, 1.49933591E+04,
|
|
2.67295696E+01]),
|
|
NASA([1392.00, 5000.00],
|
|
[ 1.12103578E+01, 1.60483196E-02, -5.46502292E-06,
|
|
8.45941053E-10, -4.89772739E-14, 1.09041937E+04,
|
|
-3.55593015E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.65,
|
|
well_depth=355.0,
|
|
rot_relax=1.0),
|
|
note=u'2/14/95therm')
|
|
|
|
species(name=u'c4h8-1',
|
|
atoms='H:8 C:4',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[-8.31372089E-01, 4.52580978E-02, -2.93658559E-05,
|
|
1.00220436E-08, -1.43191680E-12, -1.57875035E+03,
|
|
2.95084236E+01]),
|
|
NASA([1392.00, 5000.00],
|
|
[ 1.13508668E+01, 1.80617877E-02, -6.16093029E-06,
|
|
9.54652959E-10, -5.53089641E-14, -5.97871038E+03,
|
|
-3.64369438E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.65,
|
|
well_depth=355.0,
|
|
rot_relax=1.0),
|
|
note=u'4/7/97therm')
|
|
|
|
species(name=u'sc4h9',
|
|
atoms='H:9 C:4',
|
|
thermo=(NASA([300.00, 1373.00],
|
|
[ 7.70280143E-01, 3.86280904E-02, -1.57100260E-05,
|
|
7.16860109E-10, 7.00801289E-13, 6.28812837E+03,
|
|
2.49106489E+01]),
|
|
NASA([1373.00, 5000.00],
|
|
[ 1.18293992E+01, 1.94203812E-02, -6.55835141E-06,
|
|
1.00989031E-09, -5.82693176E-14, 1.79315973E+03,
|
|
-3.68210535E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.24,
|
|
well_depth=352.0,
|
|
rot_relax=1.0),
|
|
note=u'1/14/95therm')
|
|
|
|
species(name=u'pc4h9',
|
|
atoms='H:9 C:4',
|
|
thermo=(NASA([300.00, 1395.00],
|
|
[-4.37779725E-01, 4.78972364E-02, -3.14023159E-05,
|
|
1.09786472E-08, -1.62010664E-12, 7.68945248E+03,
|
|
2.86852732E+01]),
|
|
NASA([1395.00, 5000.00],
|
|
[ 1.21510082E+01, 1.94310717E-02, -6.61577950E-06,
|
|
1.02375136E-09, -5.92529707E-14, 3.17231942E+03,
|
|
-3.93425822E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.24,
|
|
well_depth=352.0,
|
|
rot_relax=1.0),
|
|
note=u'1/14/95therm')
|
|
|
|
species(name=u'ch3coch3',
|
|
atoms='H:6 C:3 O:1',
|
|
thermo=(NASA([300.00, 1374.00],
|
|
[ 1.30767163E+00, 2.92021742E-02, -1.19045617E-05,
|
|
6.52150087E-10, 4.67751203E-13, -2.75328269E+04,
|
|
1.96395025E+01]),
|
|
NASA([1374.00, 5000.00],
|
|
[ 9.91421984E+00, 1.46030709E-02, -5.06085765E-06,
|
|
7.92682855E-10, -4.62739645E-14, -3.11167423E+04,
|
|
-2.86113215E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.86,
|
|
well_depth=435.5,
|
|
rot_relax=1.0),
|
|
note=u'5/4/92therm')
|
|
|
|
species(name=u'ch3coch2',
|
|
atoms='H:5 C:3 O:1',
|
|
thermo=(NASA([300.00, 1391.00],
|
|
[ 1.80339187E+00, 3.01407085E-02, -1.93505552E-05,
|
|
6.38199034E-09, -8.66103180E-13, -5.37233261E+03,
|
|
1.78046408E+01]),
|
|
NASA([1391.00, 5000.00],
|
|
[ 1.02303975E+01, 1.16494161E-02, -4.01005537E-06,
|
|
6.25205246E-10, -3.63784362E-14, -8.44380462E+03,
|
|
-2.79197220E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.86,
|
|
well_depth=435.5,
|
|
rot_relax=1.0),
|
|
note=u'5/4/92therm')
|
|
|
|
species(name=u'c2h5co',
|
|
atoms='H:5 C:3 O:1',
|
|
thermo=(NASA([300.00, 1373.00],
|
|
[ 2.93313946E+00, 2.47427911E-02, -1.21222003E-05,
|
|
2.34701048E-09, -5.26843338E-14, -5.69663063E+03,
|
|
1.35958355E+01]),
|
|
NASA([1373.00, 5000.00],
|
|
[ 9.87881997E+00, 1.17515676E-02, -4.00614923E-06,
|
|
6.20850617E-10, -3.59835225E-14, -8.47292283E+03,
|
|
-2.49235196E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.82,
|
|
well_depth=424.6,
|
|
rot_relax=1.0),
|
|
note=u'6/26/95therm')
|
|
|
|
species(name=u'c2h5cho',
|
|
atoms='H:6 C:3 O:1',
|
|
thermo=(NASA([300.00, 1378.00],
|
|
[ 2.16308444E+00, 2.95501264E-02, -1.52446252E-05,
|
|
3.49503947E-09, -2.38896627E-13, -2.42260137E+04,
|
|
1.61153348E+01]),
|
|
NASA([1378.00, 5000.00],
|
|
[ 1.02427695E+01, 1.39641989E-02, -4.76248001E-06,
|
|
7.38105706E-10, -4.27759503E-14, -2.74143135E+04,
|
|
-2.85346843E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.662,
|
|
well_depth=435.2,
|
|
dipole=2.7,
|
|
rot_relax=1.0),
|
|
note=u'6/26/95therm')
|
|
|
|
species(name=u'c5h10-1',
|
|
atoms='H:10 C:5',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[-1.06223481E+00, 5.74218294E-02, -3.74486890E-05,
|
|
1.27364989E-08, -1.79609789E-12, -4.46546666E+03,
|
|
3.22739790E+01]),
|
|
NASA([1392.00, 5000.00],
|
|
[ 1.45851539E+01, 2.24072471E-02, -7.63348025E-06,
|
|
1.18188966E-09, -6.84385139E-14, -1.00898205E+04,
|
|
-5.23683936E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.489,
|
|
well_depth=386.2,
|
|
dipole=0.4,
|
|
rot_relax=1.0),
|
|
note=u'2/14/95therm')
|
|
|
|
species(name=u'ch2cho',
|
|
atoms='H:3 C:2 O:1',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 3.40906200E+00, 1.07385700E-02, 1.89149200E-06,
|
|
-7.15858300E-09, 2.86738500E-12, 1.52147700E+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'110393')
|
|
|
|
species(name=u'c5h11-1',
|
|
atoms='H:11 C:5',
|
|
thermo=(NASA([300.00, 1397.00],
|
|
[-9.05255912E-01, 6.10632852E-02, -4.09491825E-05,
|
|
1.46093470E-08, -2.18859615E-12, 4.83995303E+03,
|
|
3.25574963E+01]),
|
|
NASA([1397.00, 5000.00],
|
|
[ 1.53234740E+01, 2.39041200E-02, -8.14771619E-06,
|
|
1.26176236E-09, -7.30677335E-14, -9.23241637E+02,
|
|
-5.49528859E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.041,
|
|
well_depth=440.735),
|
|
note=u'1/14/95therm')
|
|
|
|
species(name=u'c5h11-2',
|
|
atoms='H:11 C:5',
|
|
thermo=(NASA([300.00, 1377.00],
|
|
[ 4.98943596E-01, 5.09850184E-02, -2.40687488E-05,
|
|
3.59465210E-09, 3.01383099E-13, 3.40702366E+03,
|
|
2.78600953E+01]),
|
|
NASA([1377.00, 5000.00],
|
|
[ 1.50998007E+01, 2.37225333E-02, -8.01388900E-06,
|
|
1.23431039E-09, -7.12300125E-14, -2.33420039E+03,
|
|
-5.29613979E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.041,
|
|
well_depth=440.735),
|
|
note=u'1/14/95therm')
|
|
|
|
species(name=u'c2h5o',
|
|
atoms='H:5 C:2 O:1',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 4.94420708E-01, 2.71774434E-02, -1.65909010E-05,
|
|
5.15204200E-09, -6.48496915E-13, -3.35252925E+03,
|
|
2.28079378E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 7.87339772E+00, 1.13072907E-02, -3.84421421E-06,
|
|
5.94414105E-10, -3.43894538E-14, -6.07274953E+03,
|
|
-1.73416790E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.41,
|
|
well_depth=470.6,
|
|
rot_relax=1.5),
|
|
note=u'3/12/95therm')
|
|
|
|
species(name=u'c2h5o2',
|
|
atoms='H:5 C:2 O:2',
|
|
thermo=(NASA([300.00, 1386.00],
|
|
[ 3.25121167E+00, 2.36765869E-02, -1.18477606E-05,
|
|
2.79401564E-09, -2.41043601E-13, -5.44533068E+03,
|
|
1.27953147E+01]),
|
|
NASA([1386.00, 5000.00],
|
|
[ 9.15255914E+00, 1.24709284E-02, -4.27100650E-06,
|
|
6.63470012E-10, -3.85024363E-14, -7.82759319E+03,
|
|
-1.99384891E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.41,
|
|
well_depth=470.6,
|
|
rot_relax=1.5),
|
|
note=u'7/27/98therm')
|
|
|
|
species(name=u'ch3o2',
|
|
atoms='H:3 C:1 O:2',
|
|
thermo=(NASA([300.00, 1385.00],
|
|
[ 4.26146906E+00, 1.00873599E-02, -3.21506184E-06,
|
|
2.09409267E-10, 4.18339103E-14, -6.84394259E+02,
|
|
5.16330320E+00]),
|
|
NASA([1385.00, 5000.00],
|
|
[ 5.95787891E+00, 7.90728626E-03, -2.68246234E-06,
|
|
4.13891337E-10, -2.39007330E-14, -1.53574838E+03,
|
|
-4.71963886E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.626,
|
|
well_depth=481.8,
|
|
rot_relax=1.0),
|
|
note=u'7/13/98therm')
|
|
|
|
species(name=u'ch3o2h',
|
|
atoms='H:4 C:1 O:2',
|
|
thermo=(NASA([300.00, 1390.00],
|
|
[ 3.23442817E+00, 1.90129767E-02, -1.13386287E-05,
|
|
3.40306653E-09, -4.11830222E-13, -1.77197926E+04,
|
|
9.25623949E+00]),
|
|
NASA([1390.00, 5000.00],
|
|
[ 8.43117091E+00, 8.06817909E-03, -2.77094921E-06,
|
|
4.31332243E-10, -2.50692146E-14, -1.96678771E+04,
|
|
-1.91170629E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.626,
|
|
well_depth=481.8,
|
|
rot_relax=1.0),
|
|
note=u'7/13/98therm')
|
|
|
|
species(name=u'c3h2',
|
|
atoms='H:2 C:3',
|
|
thermo=(NASA([150.00, 1000.00],
|
|
[ 3.16671400E+00, 2.48257200E-02, -4.59163700E-05,
|
|
4.26801900E-08, -1.48215200E-11, 6.35042100E+04,
|
|
8.86944600E+00]),
|
|
NASA([1000.00, 4000.00],
|
|
[ 7.67098100E+00, 2.74874900E-03, -4.37094300E-07,
|
|
-6.45559900E-11, 1.66388700E-14, 6.25972200E+04,
|
|
-1.23689000E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.1,
|
|
well_depth=209.0,
|
|
rot_relax=1.0),
|
|
note=u'102193')
|
|
|
|
species(name=u'o2c2h4oh',
|
|
atoms='H:5 C:2 O:3',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[ 4.11839445E+00, 2.72240632E-02, -1.60824430E-05,
|
|
5.17033408E-09, -7.31610168E-13, -2.30857785E+04,
|
|
1.28482112E+01]),
|
|
NASA([1392.00, 5000.00],
|
|
[ 1.07432659E+01, 1.30957787E-02, -4.45370088E-06,
|
|
6.88548738E-10, -3.98230113E-14, -2.55911274E+04,
|
|
-2.33254953E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.664,
|
|
well_depth=523.2,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'2/14/95therm')
|
|
|
|
species(name=u'c2h4o2h',
|
|
atoms='H:5 C:2 O:2',
|
|
thermo=(NASA([300.00, 1388.00],
|
|
[ 3.40977031E+00, 2.65939711E-02, -1.57408161E-05,
|
|
4.41132564E-09, -4.49209001E-13, 2.05874655E+03,
|
|
1.35264941E+01]),
|
|
NASA([1388.00, 5000.00],
|
|
[ 1.11476965E+01, 1.04949968E-02, -3.62326819E-06,
|
|
5.66061229E-10, -3.29857328E-14, -8.35606734E+02,
|
|
-2.87480538E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.41,
|
|
well_depth=470.6,
|
|
rot_relax=1.5),
|
|
note=u'7/27/98therm')
|
|
|
|
species(name=u'c2h3co',
|
|
atoms='H:3 C:3 O:1',
|
|
thermo=(NASA([300.00, 1393.00],
|
|
[ 1.05143589E+00, 3.06932973E-02, -2.65560368E-05,
|
|
1.18183987E-08, -2.11589812E-12, 6.87879551E+03,
|
|
2.04173489E+01]),
|
|
NASA([1393.00, 5000.00],
|
|
[ 9.99505311E+00, 7.34623223E-03, -2.56370222E-06,
|
|
4.03462270E-10, -2.36317330E-14, 4.00522160E+03,
|
|
-2.67674022E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.12,
|
|
well_depth=443.2,
|
|
rot_relax=1.0),
|
|
note=u'6/26/95therm')
|
|
|
|
species(name=u'c2h3cho',
|
|
atoms='H:4 C:3 O:1',
|
|
thermo=(NASA([300.00, 1393.00],
|
|
[ 2.92355162E-01, 3.54321417E-02, -2.94936324E-05,
|
|
1.28100124E-08, -2.26144108E-12, -1.16521584E+04,
|
|
2.28878280E+01]),
|
|
NASA([1393.00, 5000.00],
|
|
[ 1.04184959E+01, 9.48963321E-03, -3.29310529E-06,
|
|
5.16279203E-10, -3.01587291E-14, -1.49630281E+04,
|
|
-3.07235061E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.958,
|
|
well_depth=428.8,
|
|
dipole=2.9,
|
|
rot_relax=1.0),
|
|
note=u'6/26/95therm')
|
|
|
|
species(name=u'c3h5o',
|
|
atoms='H:5 C:3 O:1',
|
|
thermo=(NASA([300.00, 1380.00],
|
|
[ 1.19822582E+00, 3.05579837E-02, -1.80630276E-05,
|
|
4.86150033E-09, -4.19854562E-13, 9.58217784E+03,
|
|
2.15566221E+01]),
|
|
NASA([1380.00, 5000.00],
|
|
[ 1.02551752E+01, 1.14983720E-02, -3.84645659E-06,
|
|
5.88910346E-10, -3.38557923E-14, 6.26560810E+03,
|
|
-2.77655042E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.82,
|
|
well_depth=411.0,
|
|
rot_relax=1.0),
|
|
note=u'7/20/95therm')
|
|
|
|
species(name=u'c3h6o1-2',
|
|
atoms='H:6 C:3 O:1',
|
|
thermo=(NASA([300.00, 1379.00],
|
|
[-1.21988153E+00, 4.28578772E-02, -3.17530249E-05,
|
|
1.21763736E-08, -1.94154303E-12, -1.22953761E+04,
|
|
2.88467826E+01]),
|
|
NASA([1379.00, 5000.00],
|
|
[ 1.19825289E+01, 1.23964696E-02, -4.39113813E-06,
|
|
6.97911182E-10, -4.11585127E-14, -1.69739189E+04,
|
|
-4.22894035E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.968,
|
|
well_depth=403.6,
|
|
dipole=2.0,
|
|
rot_relax=1.0),
|
|
note=u'1/22/95therm')
|
|
|
|
species(name=u'c3h6ooh1-2',
|
|
atoms='H:7 C:3 O:2',
|
|
thermo=(NASA([300.00, 1381.00],
|
|
[ 4.08359443E+00, 3.40422329E-02, -1.62692689E-05,
|
|
2.38765400E-09, 2.21650818E-13, -2.27965073E+03,
|
|
1.20159683E+01]),
|
|
NASA([1381.00, 5000.00],
|
|
[ 1.43342402E+01, 1.50496617E-02, -5.20515993E-06,
|
|
8.14227552E-10, -4.74899437E-14, -6.33723421E+03,
|
|
-4.47976591E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.662,
|
|
well_depth=435.2,
|
|
dipole=2.7,
|
|
rot_relax=1.0),
|
|
note=u'7/27/98therm')
|
|
|
|
species(name=u'c3h6ooh2-1',
|
|
atoms='H:7 C:3 O:2',
|
|
thermo=(NASA([300.00, 1395.00],
|
|
[ 2.33885419E+00, 4.35977621E-02, -3.09323192E-05,
|
|
1.13505578E-08, -1.70839946E-12, -2.88672352E+03,
|
|
1.78673585E+01]),
|
|
NASA([1395.00, 5000.00],
|
|
[ 1.48333794E+01, 1.45208404E-02, -4.99887477E-06,
|
|
7.79489590E-10, -4.53629117E-14, -7.24052565E+03,
|
|
-4.92810904E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.662,
|
|
well_depth=435.2,
|
|
dipole=2.7,
|
|
rot_relax=1.0),
|
|
note=u'7/27/98therm')
|
|
|
|
species(name=u'nc3h7o',
|
|
atoms='H:7 C:3 O:1',
|
|
thermo=(NASA([300.00, 1390.00],
|
|
[ 2.89706514E-01, 3.93075560E-02, -2.48069355E-05,
|
|
8.07083573E-09, -1.07998290E-12, -6.24474269E+03,
|
|
2.54387810E+01]),
|
|
NASA([1390.00, 5000.00],
|
|
[ 1.10130308E+01, 1.58110271E-02, -5.38743215E-06,
|
|
8.34264825E-10, -4.83147349E-14, -1.01528968E+04,
|
|
-3.27511689E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.997,
|
|
well_depth=481.5,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'4/7/97therm')
|
|
|
|
species(name=u'ic3h7o',
|
|
atoms='H:7 C:3 O:1',
|
|
thermo=(NASA([300.00, 1395.00],
|
|
[-1.00369576E-01, 4.31118928E-02, -3.10631817E-05,
|
|
1.20668364E-08, -1.97214967E-12, -8.44902998E+03,
|
|
2.57650010E+01]),
|
|
NASA([1395.00, 5000.00],
|
|
[ 1.14592753E+01, 1.55902812E-02, -5.34443227E-06,
|
|
8.30858106E-10, -4.82455289E-14, -1.24638531E+04,
|
|
-3.62203624E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.036,
|
|
well_depth=459.5,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'4/7/97therm')
|
|
|
|
species(name=u'nc3h7o2',
|
|
atoms='H:7 C:3 O:2',
|
|
thermo=(NASA([300.00, 1387.00],
|
|
[ 3.15306348E+00, 3.52691052E-02, -1.90649122E-05,
|
|
5.01988372E-09, -5.10606304E-13, -8.35295454E+03,
|
|
1.49406763E+01]),
|
|
NASA([1387.00, 5000.00],
|
|
[ 1.23635662E+01, 1.69377420E-02, -5.80705297E-06,
|
|
9.02805946E-10, -5.24229836E-14, -1.19482794E+04,
|
|
-3.57854035E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.997,
|
|
well_depth=481.5,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/27/98therm')
|
|
|
|
species(name=u'ic3h7o2',
|
|
atoms='H:7 C:3 O:2',
|
|
thermo=(NASA([300.00, 1394.00],
|
|
[ 2.25116181E+00, 4.04764261E-02, -2.70779685E-05,
|
|
9.87383732E-09, -1.54391980E-12, -1.04027797E+04,
|
|
1.67736536E+01]),
|
|
NASA([1394.00, 5000.00],
|
|
[ 1.27059050E+01, 1.65446528E-02, -5.64857588E-06,
|
|
8.75666817E-10, -5.07449775E-14, -1.41513305E+04,
|
|
-3.96629320E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.036,
|
|
well_depth=459.5,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/27/98therm')
|
|
|
|
species(name=u'c4h7o',
|
|
atoms='H:7 C:4 O:1',
|
|
thermo=(NASA([300.00, 1380.00],
|
|
[ 2.67256826E+00, 3.71198825E-02, -2.06862859E-05,
|
|
5.48873888E-09, -5.35864183E-13, -8.58050888E+03,
|
|
1.64848950E+01]),
|
|
NASA([1380.00, 5000.00],
|
|
[ 1.30026331E+01, 1.63104877E-02, -5.57642899E-06,
|
|
8.65670629E-10, -5.02255667E-14, -1.25523385E+04,
|
|
-4.02608515E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.2,
|
|
well_depth=496.0,
|
|
rot_relax=1.0),
|
|
note=u'6/26/95therm')
|
|
|
|
species(name=u'c4h8ooh1-3o2',
|
|
atoms='H:9 C:4 O:4',
|
|
thermo=(NASA([300.00, 1395.00],
|
|
[ 5.01285046E+00, 5.83017270E-02, -4.05195371E-05,
|
|
1.48315962E-08, -2.26233460E-12, -2.46570201E+04,
|
|
1.17446314E+01]),
|
|
NASA([1395.00, 5000.00],
|
|
[ 2.11658891E+01, 2.09636033E-02, -7.20558874E-06,
|
|
1.12228133E-09, -6.52546797E-14, -3.03479380E+04,
|
|
-7.52165802E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.2,
|
|
well_depth=496.0,
|
|
rot_relax=1.0),
|
|
note=u'7/27/98trm')
|
|
|
|
species(name=u'c4h8ooh1-3',
|
|
atoms='H:9 C:4 O:2',
|
|
thermo=(NASA([300.00, 2021.00],
|
|
[ 2.78455585E+00, 4.88189773E-02, -2.78981669E-05,
|
|
7.20477548E-09, -6.14607480E-13, -4.93663384E+03,
|
|
2.09179383E+01]),
|
|
NASA([2021.00, 5000.00],
|
|
[ 1.56428727E+01, 2.11527368E-02, -7.38808963E-06,
|
|
1.16936828E-09, -6.89245122E-14, -9.36522030E+03,
|
|
-4.85929362E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.2,
|
|
well_depth=496.0,
|
|
rot_relax=1.0),
|
|
note=u'7/27/98therm')
|
|
|
|
species(name=u'nc4ket13',
|
|
atoms='H:8 C:4 O:3',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 3.61128634E+00, 5.43913301E-02, -3.92348917E-05,
|
|
1.48519881E-08, -2.33227509E-12, -4.04682412E+04,
|
|
1.48248314E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 1.90814911E+01, 1.80751568E-02, -6.21426271E-06,
|
|
9.68245503E-10, -5.63196737E-14, -4.58537579E+04,
|
|
-6.82492782E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.778,
|
|
well_depth=476.0,
|
|
dipole=2.6,
|
|
rot_relax=1.0),
|
|
note=u'7/27/98therm')
|
|
|
|
species(name=u'c4h8ooh1-2',
|
|
atoms='H:9 C:4 O:2',
|
|
thermo=(NASA([300.00, 1379.00],
|
|
[ 4.58873307E+00, 4.21293468E-02, -1.91956104E-05,
|
|
2.59922321E-09, 2.80120772E-13, -5.24542343E+03,
|
|
1.21592799E+01]),
|
|
NASA([1379.00, 5000.00],
|
|
[ 1.67765697E+01, 2.02436108E-02, -7.00755314E-06,
|
|
1.09668146E-09, -6.39812135E-14, -1.01952999E+04,
|
|
-5.57317121E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.2,
|
|
well_depth=496.0,
|
|
rot_relax=1.0),
|
|
note=u'7/27/98therm')
|
|
|
|
species(name=u'c4h8o1-3',
|
|
atoms='H:8 C:4 O:1',
|
|
thermo=(NASA([300.00, 1371.00],
|
|
[-2.53690104E+00, 5.43995707E-02, -3.43390305E-05,
|
|
1.01079922E-08, -1.10262736E-12, -1.52980680E+04,
|
|
3.67400719E+01]),
|
|
NASA([1371.00, 5000.00],
|
|
[ 1.54227092E+01, 1.70211052E-02, -6.06347951E-06,
|
|
9.67354762E-10, -5.71992419E-14, -2.20194174E+04,
|
|
-6.13871862E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.2,
|
|
well_depth=496.0,
|
|
rot_relax=1.0),
|
|
note=u'1/22/95therm')
|
|
|
|
species(name=u'pc4h9o2',
|
|
atoms='H:9 C:4 O:2',
|
|
thermo=(NASA([300.00, 1388.00],
|
|
[ 3.00751292E+00, 4.70763532E-02, -2.66182332E-05,
|
|
7.46167798E-09, -8.28942632E-13, -1.12534231E+04,
|
|
1.73052261E+01]),
|
|
NASA([1388.00, 5000.00],
|
|
[ 1.55697813E+01, 2.14098453E-02, -7.34517126E-06,
|
|
1.14248918E-09, -6.63646622E-14, -1.60672005E+04,
|
|
-5.16056477E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.2,
|
|
well_depth=496.0,
|
|
rot_relax=1.0),
|
|
note=u'7/27/98therm')
|
|
|
|
species(name=u'c3h3',
|
|
atoms='H:3 C:3',
|
|
thermo=(NASA([300.00, 1000.00],
|
|
[ 4.75420000E+00, 1.10802800E-02, 2.79332300E-07,
|
|
-5.47921200E-09, 1.94962900E-12, 3.98888300E+04,
|
|
5.85454900E-01]),
|
|
NASA([1000.00, 4000.00],
|
|
[ 8.83104700E+00, 4.35719500E-03, -4.10906700E-07,
|
|
-2.36872300E-10, 4.37652000E-14, 3.84742000E+04,
|
|
-2.17791900E+01])),
|
|
transport=gas_transport(geom='linear',
|
|
diam=4.29,
|
|
well_depth=324.8,
|
|
rot_relax=1.0),
|
|
note=u'82489')
|
|
|
|
species(name=u'hocho',
|
|
atoms='H:2 C:1 O:2',
|
|
thermo=(NASA([300.00, 1376.00],
|
|
[ 1.43548185E+00, 1.63363016E-02, -1.06257421E-05,
|
|
3.32132977E-09, -4.02176103E-13, -4.64616504E+04,
|
|
1.72885798E+01]),
|
|
NASA([1376.00, 5000.00],
|
|
[ 6.68733013E+00, 5.14289368E-03, -1.82238513E-06,
|
|
2.89719163E-10, -1.70892199E-14, -4.83995400E+04,
|
|
-1.13104798E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.97,
|
|
well_depth=436.0,
|
|
rot_relax=2.0),
|
|
note=u'4/9/98therm')
|
|
|
|
species(name=u'c2h3o1,2',
|
|
atoms='H:3 C:2 O:1',
|
|
thermo=(NASA([300.00, 1491.00],
|
|
[ 3.35999844E-01, 3.09570853E-02, -2.52838600E-05,
|
|
9.42237535E-09, -1.30399273E-12, 7.99950911E+03,
|
|
2.50825660E+01]),
|
|
NASA([1491.00, 5000.00],
|
|
[ 1.14373827E+01, 4.23746386E-03, -1.54815052E-06,
|
|
2.51163559E-10, -1.50252425E-14, 4.35403066E+03,
|
|
-3.40412712E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=3.97,
|
|
well_depth=436.0,
|
|
rot_relax=2.0),
|
|
note=u'2/14/95therm')
|
|
|
|
species(name=u'nc3h7cho',
|
|
atoms='H:8 C:4 O:1',
|
|
thermo=(NASA([300.00, 1378.00],
|
|
[ 1.87415959E+00, 4.19240315E-02, -2.35148779E-05,
|
|
6.26913673E-09, -6.09443908E-13, -2.71032194E+04,
|
|
1.91568574E+01]),
|
|
NASA([1378.00, 5000.00],
|
|
[ 1.35988068E+01, 1.81652474E-02, -6.17844458E-06,
|
|
9.55980208E-10, -5.53442958E-14, -3.15845348E+04,
|
|
-4.51790228E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.009,
|
|
well_depth=464.2,
|
|
dipole=2.6,
|
|
rot_relax=1.0),
|
|
note=u'9/27/95therm')
|
|
|
|
species(name=u'nc3h7co',
|
|
atoms='H:7 C:4 O:1',
|
|
thermo=(NASA([300.00, 1380.00],
|
|
[ 2.67256826E+00, 3.71198825E-02, -2.06862859E-05,
|
|
5.48873888E-09, -5.35864183E-13, -8.58050888E+03,
|
|
1.64848950E+01]),
|
|
NASA([1380.00, 5000.00],
|
|
[ 1.30026331E+01, 1.63104877E-02, -5.57642899E-06,
|
|
8.65670629E-10, -5.02255667E-14, -1.25523385E+04,
|
|
-4.02608515E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.009,
|
|
well_depth=464.2,
|
|
dipole=2.6,
|
|
rot_relax=1.0),
|
|
note=u'9/27/95therm')
|
|
|
|
species(name=u'c3h6cho-2',
|
|
atoms='H:7 C:4 O:1',
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|
|
[ 2.95067531E+00, 3.34223079E-02, -1.45356815E-05,
|
|
1.67282048E-09, 2.62011555E-13, -3.79034324E+03,
|
|
1.74324072E+01]),
|
|
NASA([1682.00, 5000.00],
|
|
[ 1.11942816E+01, 1.81806772E-02, -6.35916662E-06,
|
|
1.00727333E-09, -5.93943618E-14, -6.86826460E+03,
|
|
-2.80298956E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.009,
|
|
well_depth=464.2,
|
|
dipole=2.6,
|
|
rot_relax=1.0),
|
|
note=u'11/15/95therm')
|
|
|
|
species(name=u'ch2ch2coch3',
|
|
atoms='H:7 C:4 O:1',
|
|
thermo=(NASA([300.00, 1380.00],
|
|
[ 2.40255609E+00, 3.67294268E-02, -1.97316510E-05,
|
|
5.07323216E-09, -4.99655275E-13, -6.15006886E+03,
|
|
1.93993386E+01]),
|
|
NASA([1380.00, 5000.00],
|
|
[ 1.24694368E+01, 1.71022143E-02, -5.92156726E-06,
|
|
9.26816806E-10, -5.40730504E-14, -1.01378242E+04,
|
|
-3.62186375E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.04,
|
|
well_depth=440.584),
|
|
note=u'6/21/95ther')
|
|
|
|
species(name=u'c2h5coch2',
|
|
atoms='H:7 C:4 O:1',
|
|
thermo=(NASA([300.00, 1380.00],
|
|
[ 2.40255609E+00, 3.67294268E-02, -1.97316510E-05,
|
|
5.07323216E-09, -4.99655275E-13, -9.27035071E+03,
|
|
1.87098570E+01]),
|
|
NASA([1380.00, 5000.00],
|
|
[ 1.24694368E+01, 1.71022143E-02, -5.92156726E-06,
|
|
9.26816806E-10, -5.40730504E-14, -1.32581060E+04,
|
|
-3.69081191E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.413,
|
|
well_depth=454.0,
|
|
dipole=3.3,
|
|
rot_relax=1.0),
|
|
note=u'6/22/95therm')
|
|
|
|
species(name=u'c2h5coc2h4p',
|
|
atoms='H:9 C:5 O:1',
|
|
thermo=(NASA([300.00, 1376.00],
|
|
[ 2.39449461E+00, 4.98731839E-02, -3.07394387E-05,
|
|
9.95080260E-09, -1.37570832E-12, -9.32123954E+03,
|
|
2.01162807E+01]),
|
|
NASA([1376.00, 5000.00],
|
|
[ 1.62000827E+01, 2.05106647E-02, -6.96977982E-06,
|
|
1.07826230E-09, -6.24324406E-14, -1.45067221E+04,
|
|
-5.52272610E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.348,
|
|
well_depth=489.084),
|
|
note=u'2/22/96thrm')
|
|
|
|
species(name=u'nc3h7coch2',
|
|
atoms='H:9 C:5 O:1',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 9.58299271E-01, 5.68162532E-02, -3.99112781E-05,
|
|
1.52671514E-08, -2.49221047E-12, -1.23062238E+04,
|
|
2.34112884E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 1.61502419E+01, 2.14093466E-02, -7.36059614E-06,
|
|
1.14656816E-09, -6.66712722E-14, -1.76968561E+04,
|
|
-5.83864884E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.348,
|
|
well_depth=489.084),
|
|
note=u'2/22/96therm')
|
|
|
|
species(name=u'nc4h9cho',
|
|
atoms='H:10 C:5 O:1',
|
|
thermo=(NASA([300.00, 1381.00],
|
|
[ 1.59663472E+00, 5.43541416E-02, -3.21020651E-05,
|
|
9.35773559E-09, -1.06688932E-12, -2.99841025E+04,
|
|
2.21281498E+01]),
|
|
NASA([1381.00, 5000.00],
|
|
[ 1.67965163E+01, 2.25684519E-02, -7.67631588E-06,
|
|
1.18769369E-09, -6.87545554E-14, -3.56826080E+04,
|
|
-6.09063312E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.778,
|
|
well_depth=476.0,
|
|
dipole=2.6,
|
|
rot_relax=1.0),
|
|
note=u'2/29/96therm')
|
|
|
|
species(name=u'nc4h9co',
|
|
atoms='H:9 C:5 O:1',
|
|
thermo=(NASA([300.00, 1382.00],
|
|
[ 2.43530238E+00, 4.93682376E-02, -2.89883082E-05,
|
|
8.42863812E-09, -9.68287172E-13, -1.14675541E+04,
|
|
1.92695879E+01]),
|
|
NASA([1382.00, 5000.00],
|
|
[ 1.61782939E+01, 2.07991920E-02, -7.11787892E-06,
|
|
1.10559975E-09, -6.41697187E-14, -1.66537752E+04,
|
|
-5.58943579E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.778,
|
|
well_depth=476.0,
|
|
dipole=2.6,
|
|
rot_relax=1.0),
|
|
note=u'2/29/96therm')
|
|
|
|
species(name=u'hoch2o',
|
|
atoms='H:3 C:1 O:2',
|
|
thermo=(NASA([300.00, 1452.00],
|
|
[ 4.11183145E+00, 7.53850697E-03, 3.77337370E-06,
|
|
-5.38746005E-09, 1.45615887E-12, -2.12471918E+04,
|
|
7.46807254E+00]),
|
|
NASA([1452.00, 5000.00],
|
|
[ 6.39521515E+00, 7.43673043E-03, -2.50422354E-06,
|
|
3.84879712E-10, -2.21778689E-14, -2.25557758E+04,
|
|
-6.63865583E+00])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=4.41,
|
|
well_depth=470.6,
|
|
rot_relax=1.5),
|
|
note=u'4/9/98therm')
|
|
|
|
species(name=u'c6h13-1',
|
|
atoms='H:13 C:6',
|
|
thermo=(NASA([300.00, 1397.00],
|
|
[-7.62937152E-01, 7.18105209E-02, -4.71329725E-05,
|
|
1.62249790E-08, -2.32087543E-12, 1.89021556E+03,
|
|
3.35439856E+01]),
|
|
NASA([1397.00, 5000.00],
|
|
[ 1.85219223E+01, 2.82755903E-02, -9.62785872E-06,
|
|
1.49000931E-09, -8.62480621E-14, -5.00124444E+03,
|
|
-7.06345855E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.349,
|
|
well_depth=489.224),
|
|
note=u'1/14/95therm')
|
|
|
|
species(name=u'c6h12-1',
|
|
atoms='H:12 C:6',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[-1.35275205E+00, 6.98655426E-02, -4.59408022E-05,
|
|
1.56967343E-08, -2.21296175E-12, -7.34368617E+03,
|
|
3.53120691E+01]),
|
|
NASA([1392.00, 5000.00],
|
|
[ 1.78337529E+01, 2.67377658E-02, -9.10036773E-06,
|
|
1.40819768E-09, -8.15124244E-14, -1.42062860E+04,
|
|
-6.83818851E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.328,
|
|
well_depth=485.857),
|
|
note=u'2/14/95')
|
|
|
|
species(name=u'c6h11',
|
|
atoms='H:11 C:6',
|
|
thermo=(NASA([300.00, 1388.00],
|
|
[-1.78981302E+00, 6.71660911E-02, -4.34180588E-05,
|
|
1.43931014E-08, -1.96953043E-12, 8.35230470E+03,
|
|
3.63570478E+01]),
|
|
NASA([1388.00, 5000.00],
|
|
[ 1.73781063E+01, 2.52715626E-02, -8.74710351E-06,
|
|
1.36884407E-09, -7.98569285E-14, 1.33730775E+03,
|
|
-6.77269441E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.307,
|
|
well_depth=482.473),
|
|
note=u'2/14/95')
|
|
|
|
species(name=u'nc7h16',
|
|
atoms='H:16 C:7',
|
|
thermo=(NASA([300.00, 1391.00],
|
|
[-1.26836187E+00, 8.54355820E-02, -5.25346786E-05,
|
|
1.62945721E-08, -2.02394925E-12, -2.56586565E+04,
|
|
3.53732912E+01]),
|
|
NASA([1391.00, 5000.00],
|
|
[ 2.22148969E+01, 3.47675750E-02, -1.18407129E-05,
|
|
1.83298478E-09, -1.06130266E-13, -3.42760081E+04,
|
|
-9.23040196E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.253,
|
|
well_depth=459.6,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h15-1',
|
|
atoms='H:15 C:7',
|
|
thermo=(NASA([300.00, 1390.00],
|
|
[-4.99570406E-01, 8.08826467E-02, -5.00532754E-05,
|
|
1.56549308E-08, -1.96616227E-12, -1.04590223E+03,
|
|
3.46564011E+01]),
|
|
NASA([1390.00, 5000.00],
|
|
[ 2.17940709E+01, 3.26280243E-02, -1.11138244E-05,
|
|
1.72067148E-09, -9.96366999E-14, -9.20938221E+03,
|
|
-8.64954311E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.253,
|
|
well_depth=459.6,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h15-2',
|
|
atoms='H:15 C:7',
|
|
thermo=(NASA([300.00, 1382.00],
|
|
[-3.79155767E-02, 7.56726570E-02, -4.07473634E-05,
|
|
9.32678943E-09, -4.92360745E-13, -2.35605303E+03,
|
|
3.37321506E+01]),
|
|
NASA([1382.00, 5000.00],
|
|
[ 2.16368842E+01, 3.23324804E-02, -1.09273807E-05,
|
|
1.68357060E-09, -9.71774091E-14, -1.05873616E+04,
|
|
-8.52209653E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.253,
|
|
well_depth=459.6,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h15-3',
|
|
atoms='H:15 C:7',
|
|
thermo=(NASA([300.00, 1382.00],
|
|
[-3.79155767E-02, 7.56726570E-02, -4.07473634E-05,
|
|
9.32678943E-09, -4.92360745E-13, -2.35605303E+03,
|
|
3.37321506E+01]),
|
|
NASA([1382.00, 5000.00],
|
|
[ 2.16368842E+01, 3.23324804E-02, -1.09273807E-05,
|
|
1.68357060E-09, -9.71774091E-14, -1.05873616E+04,
|
|
-8.52209653E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.253,
|
|
well_depth=459.6,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h15-4',
|
|
atoms='H:15 C:7',
|
|
thermo=(NASA([300.00, 1382.00],
|
|
[-3.79155767E-02, 7.56726570E-02, -4.07473634E-05,
|
|
9.32678943E-09, -4.92360745E-13, -2.35605303E+03,
|
|
3.30426690E+01]),
|
|
NASA([1382.00, 5000.00],
|
|
[ 2.16368842E+01, 3.23324804E-02, -1.09273807E-05,
|
|
1.68357060E-09, -9.71774091E-14, -1.05873616E+04,
|
|
-8.59104470E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.253,
|
|
well_depth=459.6,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h15o2-1',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1390.00],
|
|
[ 2.37499334E+00, 8.34651906E-02, -5.13897320E-05,
|
|
1.64217662E-08, -2.19505216E-12, -1.99237961E+04,
|
|
2.53067342E+01]),
|
|
NASA([1390.00, 5000.00],
|
|
[ 2.49023689E+01, 3.50716920E-02, -1.20440306E-05,
|
|
1.87464822E-09, -1.08947791E-13, -2.82976050E+04,
|
|
-9.73923542E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'c7h15o2h-1',
|
|
atoms='H:16 C:7 O:2',
|
|
thermo=(NASA([300.00, 1391.00],
|
|
[ 1.50495380E+00, 9.18579072E-02, -5.89020045E-05,
|
|
1.93151334E-08, -2.59456017E-12, -3.69871515E+04,
|
|
2.86394003E+01]),
|
|
NASA([1391.00, 5000.00],
|
|
[ 2.73495733E+01, 3.52545289E-02, -1.21399643E-05,
|
|
1.89323260E-09, -1.10181893E-13, -4.64103498E+04,
|
|
-1.11617766E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'c7h15o2-2',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[ 1.51378168E+00, 8.85572745E-02, -5.92457147E-05,
|
|
2.11801862E-08, -3.20741722E-12, -2.19818400E+04,
|
|
2.76255370E+01]),
|
|
NASA([1392.00, 5000.00],
|
|
[ 2.52622017E+01, 3.46652053E-02, -1.18812593E-05,
|
|
1.84687322E-09, -1.07234165E-13, -3.05051074E+04,
|
|
-1.00675588E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'c7h15o2h-2',
|
|
atoms='H:16 C:7 O:2',
|
|
thermo=(NASA([300.00, 1393.00],
|
|
[ 6.29165042E-01, 9.70053636E-02, -6.68336695E-05,
|
|
2.41186253E-08, -3.61669837E-12, -3.90427262E+04,
|
|
3.10277331E+01]),
|
|
NASA([1393.00, 5000.00],
|
|
[ 2.77098165E+01, 3.48487880E-02, -1.19777002E-05,
|
|
1.86556340E-09, -1.08475524E-13, -4.86189131E+04,
|
|
-1.14905489E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'c7h15o2-3',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[ 1.51378168E+00, 8.85572745E-02, -5.92457147E-05,
|
|
2.11801862E-08, -3.20741722E-12, -2.19818400E+04,
|
|
2.76255370E+01]),
|
|
NASA([1392.00, 5000.00],
|
|
[ 2.52622017E+01, 3.46652053E-02, -1.18812593E-05,
|
|
1.84687322E-09, -1.07234165E-13, -3.05051074E+04,
|
|
-1.00675588E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'c7h15o2h-3',
|
|
atoms='H:16 C:7 O:2',
|
|
thermo=(NASA([300.00, 1393.00],
|
|
[ 6.29165042E-01, 9.70053636E-02, -6.68336695E-05,
|
|
2.41186253E-08, -3.61669837E-12, -3.90427262E+04,
|
|
3.10277331E+01]),
|
|
NASA([1393.00, 5000.00],
|
|
[ 2.77098165E+01, 3.48487880E-02, -1.19777002E-05,
|
|
1.86556340E-09, -1.08475524E-13, -4.86189131E+04,
|
|
-1.14905489E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'c7h14-1',
|
|
atoms='H:14 C:7',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
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|
|
1.87862303E-08, -2.65737983E-12, -1.02168601E+04,
|
|
3.85068032E+01]),
|
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NASA([1392.00, 5000.00],
|
|
[ 2.10898039E+01, 3.10607878E-02, -1.05644793E-05,
|
|
1.63405780E-09, -9.45598219E-14, -1.83260065E+04,
|
|
-8.44391108E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.173,
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|
well_depth=457.8,
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dipole=0.3,
|
|
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|
|
note=u'2/10/95')
|
|
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species(name=u'c7h14-2',
|
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atoms='H:14 C:7',
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|
thermo=(NASA([300.00, 1390.00],
|
|
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|
1.58569009E-08, -2.05346433E-12, -1.17362359E+04,
|
|
3.59871070E+01]),
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NASA([1390.00, 5000.00],
|
|
[ 2.06192047E+01, 3.14852991E-02, -1.07162057E-05,
|
|
1.65827662E-09, -9.59911785E-14, -1.96713162E+04,
|
|
-8.22519387E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.173,
|
|
well_depth=457.8,
|
|
dipole=0.3,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h14-3',
|
|
atoms='H:14 C:7',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
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|
1.87705822E-08, -2.67571220E-12, -1.15141029E+04,
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|
4.02316266E+01]),
|
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NASA([1392.00, 5000.00],
|
|
[ 2.06822750E+01, 3.15388629E-02, -1.07571215E-05,
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|
1.66690260E-09, -9.65810393E-14, -1.96450604E+04,
|
|
-8.25235002E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.173,
|
|
well_depth=457.8,
|
|
dipole=0.3,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h13',
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|
atoms='H:13 C:7',
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|
thermo=(NASA([300.00, 1392.00],
|
|
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|
1.88066108E-08, -2.66059253E-12, 6.81102828E+03,
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|
3.89797235E+01]),
|
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NASA([1392.00, 5000.00],
|
|
[ 2.06977799E+01, 2.93585249E-02, -9.99754351E-06,
|
|
1.54773305E-09, -8.96230815E-14, -1.23454647E+03,
|
|
-8.35627043E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.173,
|
|
well_depth=457.8,
|
|
dipole=0.3,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h15o2-4',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[ 1.51378168E+00, 8.85572745E-02, -5.92457147E-05,
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|
2.11801862E-08, -3.20741722E-12, -2.19818400E+04,
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|
2.69360553E+01]),
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NASA([1392.00, 5000.00],
|
|
[ 2.52622017E+01, 3.46652053E-02, -1.18812593E-05,
|
|
1.84687322E-09, -1.07234165E-13, -3.05051074E+04,
|
|
-1.01365070E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'c7h15o-1',
|
|
atoms='H:15 C:7 O:1',
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|
thermo=(NASA([300.00, 1391.00],
|
|
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|
1.93195908E-08, -2.68753465E-12, -1.78233113E+04,
|
|
3.56475170E+01]),
|
|
NASA([1391.00, 5000.00],
|
|
[ 2.36489937E+01, 3.38195865E-02, -1.15717686E-05,
|
|
1.79692111E-09, -1.04265757E-13, -2.65280214E+04,
|
|
-9.48882293E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h15o-2',
|
|
atoms='H:15 C:7 O:1',
|
|
thermo=(NASA([300.00, 1395.00],
|
|
[-1.09087925E+00, 9.23217022E-02, -6.44477835E-05,
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|
2.36808474E-08, -3.61067567E-12, -1.99926675E+04,
|
|
3.77738325E+01]),
|
|
NASA([1395.00, 5000.00],
|
|
[ 2.43070968E+01, 3.31267815E-02, -1.13034023E-05,
|
|
1.75198875E-09, -1.01526943E-13, -2.88623481E+04,
|
|
-9.87360860E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h15o-3',
|
|
atoms='H:15 C:7 O:1',
|
|
thermo=(NASA([300.00, 1395.00],
|
|
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|
2.36808474E-08, -3.61067567E-12, -1.99926675E+04,
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|
3.77738325E+01]),
|
|
NASA([1395.00, 5000.00],
|
|
[ 2.43070968E+01, 3.31267815E-02, -1.13034023E-05,
|
|
1.75198875E-09, -1.01526943E-13, -2.88623481E+04,
|
|
-9.87360860E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'2/10/95')
|
|
|
|
species(name=u'c7h14ooh1-2',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1384.00],
|
|
[ 2.49875186E+00, 8.32443344E-02, -4.85933986E-05,
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|
1.28927950E-08, -1.09878385E-12, -1.36530733E+04,
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|
2.73754005E+01]),
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NASA([1384.00, 5000.00],
|
|
[ 2.70028807E+01, 3.22272216E-02, -1.09366516E-05,
|
|
1.68977918E-09, -9.77321946E-14, -2.27229231E+04,
|
|
-1.06332170E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh1-3',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1384.00],
|
|
[ 2.49875186E+00, 8.32443344E-02, -4.85933986E-05,
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|
1.28927950E-08, -1.09878385E-12, -1.36530733E+04,
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|
2.73754005E+01]),
|
|
NASA([1384.00, 5000.00],
|
|
[ 2.70028807E+01, 3.22272216E-02, -1.09366516E-05,
|
|
1.68977918E-09, -9.77321946E-14, -2.27229231E+04,
|
|
-1.06332170E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh1-4',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1384.00],
|
|
[ 2.49875186E+00, 8.32443344E-02, -4.85933986E-05,
|
|
1.28927950E-08, -1.09878385E-12, -1.36530733E+04,
|
|
2.73754005E+01]),
|
|
NASA([1384.00, 5000.00],
|
|
[ 2.70028807E+01, 3.22272216E-02, -1.09366516E-05,
|
|
1.68977918E-09, -9.77321946E-14, -2.27229231E+04,
|
|
-1.06332170E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh2-3',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 1.62083964E+00, 8.83636215E-02, -5.64527235E-05,
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|
1.76325999E-08, -2.10369342E-12, -1.57072842E+04,
|
|
2.97815441E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 2.73843966E+01, 3.17800796E-02, -1.07557689E-05,
|
|
1.65881427E-09, -9.58200506E-14, -2.49404488E+04,
|
|
-1.09739277E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh2-4',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 1.62083964E+00, 8.83636215E-02, -5.64527235E-05,
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|
1.76325999E-08, -2.10369342E-12, -1.57072842E+04,
|
|
2.97815441E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 2.73843966E+01, 3.17800796E-02, -1.07557689E-05,
|
|
1.65881427E-09, -9.58200506E-14, -2.49404488E+04,
|
|
-1.09739277E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh2-5',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 1.62083964E+00, 8.83636215E-02, -5.64527235E-05,
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|
1.76325999E-08, -2.10369342E-12, -1.57072842E+04,
|
|
2.97815441E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 2.73843966E+01, 3.17800796E-02, -1.07557689E-05,
|
|
1.65881427E-09, -9.58200506E-14, -2.49404488E+04,
|
|
-1.09739277E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh3-1',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1393.00],
|
|
[ 1.37396160E+00, 9.25294066E-02, -6.44403647E-05,
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|
2.35223293E-08, -3.56678305E-12, -1.44255429E+04,
|
|
2.97386718E+01]),
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|
NASA([1393.00, 5000.00],
|
|
[ 2.72931159E+01, 3.27034748E-02, -1.12483701E-05,
|
|
1.75282538E-09, -1.01955579E-13, -2.35554130E+04,
|
|
-1.09813224E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh3-2',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 1.62083964E+00, 8.83636215E-02, -5.64527235E-05,
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|
1.76325999E-08, -2.10369342E-12, -1.57072842E+04,
|
|
2.97815441E+01]),
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NASA([1389.00, 5000.00],
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|
[ 2.73843966E+01, 3.17800796E-02, -1.07557689E-05,
|
|
1.65881427E-09, -9.58200506E-14, -2.49404488E+04,
|
|
-1.09739277E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh3-4',
|
|
atoms='H:15 C:7 O:2',
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|
thermo=(NASA([300.00, 1389.00],
|
|
[ 1.62083964E+00, 8.83636215E-02, -5.64527235E-05,
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|
1.76325999E-08, -2.10369342E-12, -1.57072842E+04,
|
|
2.97815441E+01]),
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|
NASA([1389.00, 5000.00],
|
|
[ 2.73843966E+01, 3.17800796E-02, -1.07557689E-05,
|
|
1.65881427E-09, -9.58200506E-14, -2.49404488E+04,
|
|
-1.09739277E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh3-5',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 1.62083964E+00, 8.83636215E-02, -5.64527235E-05,
|
|
1.76325999E-08, -2.10369342E-12, -1.57072842E+04,
|
|
2.97815441E+01]),
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|
NASA([1389.00, 5000.00],
|
|
[ 2.73843966E+01, 3.17800796E-02, -1.07557689E-05,
|
|
1.65881427E-09, -9.58200506E-14, -2.49404488E+04,
|
|
-1.09739277E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh3-6',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 1.62083964E+00, 8.83636215E-02, -5.64527235E-05,
|
|
1.76325999E-08, -2.10369342E-12, -1.57072842E+04,
|
|
2.97815441E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 2.73843966E+01, 3.17800796E-02, -1.07557689E-05,
|
|
1.65881427E-09, -9.58200506E-14, -2.49404488E+04,
|
|
-1.09739277E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh4-2',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 1.62083964E+00, 8.83636215E-02, -5.64527235E-05,
|
|
1.76325999E-08, -2.10369342E-12, -1.57072842E+04,
|
|
2.90920624E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 2.73843966E+01, 3.17800796E-02, -1.07557689E-05,
|
|
1.65881427E-09, -9.58200506E-14, -2.49404488E+04,
|
|
-1.10428759E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14ooh4-3',
|
|
atoms='H:15 C:7 O:2',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 1.62083964E+00, 8.83636215E-02, -5.64527235E-05,
|
|
1.76325999E-08, -2.10369342E-12, -1.57072842E+04,
|
|
2.90920624E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 2.73843966E+01, 3.17800796E-02, -1.07557689E-05,
|
|
1.65881427E-09, -9.58200506E-14, -2.49404488E+04,
|
|
-1.10428759E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.317,
|
|
well_depth=561.0,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98thrm')
|
|
|
|
species(name=u'c7h14o1-3',
|
|
atoms='H:14 C:7 O:1',
|
|
thermo=(NASA([300.00, 1397.00],
|
|
[-6.65407598E+00, 1.06857688E-01, -8.28600373E-05,
|
|
3.37794034E-08, -5.65586099E-12, -2.34614627E+04,
|
|
6.05805871E+01]),
|
|
NASA([1397.00, 5000.00],
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species(name=u'c7h14o2-4',
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species(name=u'c7h14o2-5',
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transport=gas_transport(geom='nonlinear',
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species(name=u'c7h14o3-5',
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transport=gas_transport(geom='nonlinear',
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species(name=u'c7h14ooh1-3o2',
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species(name=u'c7h14ooh2-3o2',
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species(name=u'c7h14ooh2-4o2',
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transport=gas_transport(geom='nonlinear',
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species(name=u'c7h14ooh2-5o2',
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species(name=u'c7h14ooh3-1o2',
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species(name=u'c7h14ooh3-2o2',
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species(name=u'c7h14ooh3-4o2',
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species(name=u'c7h14ooh3-5o2',
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species(name=u'c7h14ooh3-6o2',
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species(name=u'c7h14ooh4-2o2',
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species(name=u'c7h14ooh4-3o2',
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species(name=u'nc7ket13',
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1.68894899E-09, -9.82098038E-14, -5.81497451E+04,
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species(name=u'nc7ket23',
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atoms='H:14 C:7 O:3',
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|
1.67981822E-09, -9.79195344E-14, -6.04319021E+04,
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species(name=u'nc7ket24',
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atoms='H:14 C:7 O:3',
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1.72876170E-09, -1.00709919E-13, -6.18824724E+04,
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note=u'7/23/98therm')
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species(name=u'nc7ket25',
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atoms='H:14 C:7 O:3',
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|
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species(name=u'nc7ket31',
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atoms='H:14 C:7 O:3',
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thermo=(NASA([300.00, 1385.00],
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|
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2.07041129E+01]),
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1.73289508E-09, -1.00880504E-13, -5.97622360E+04,
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transport=gas_transport(geom='nonlinear',
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|
note=u'7/23/98therm')
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species(name=u'nc7ket32',
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atoms='H:14 C:7 O:3',
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thermo=(NASA([300.00, 1392.00],
|
|
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3.39067009E+01]),
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|
1.67579269E-09, -9.76240849E-14, -6.04805074E+04,
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transport=gas_transport(geom='nonlinear',
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diam=6.506,
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|
|
dipole=2.0,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'nc7ket34',
|
|
atoms='H:14 C:7 O:3',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[ 3.48224628E-01, 1.02657937E-01, -8.00268737E-05,
|
|
3.29012562E-08, -5.57165153E-12, -5.07205435E+04,
|
|
3.39067009E+01]),
|
|
NASA([1392.00, 5000.00],
|
|
[ 2.93483957E+01, 3.11049077E-02, -1.07311701E-05,
|
|
1.67579269E-09, -9.76240849E-14, -6.04805074E+04,
|
|
-1.20609073E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.506,
|
|
well_depth=581.3,
|
|
dipole=2.0,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'nc7ket35',
|
|
atoms='H:14 C:7 O:3',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 2.69842062E+00, 9.01458551E-02, -6.19413386E-05,
|
|
2.22789039E-08, -3.34178948E-12, -5.27915898E+04,
|
|
2.39852490E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 2.82068850E+01, 3.20833500E-02, -1.10699870E-05,
|
|
1.72876170E-09, -1.00709919E-13, -6.18824724E+04,
|
|
-1.13686529E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.506,
|
|
well_depth=581.3,
|
|
dipole=2.0,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'nc7ket36',
|
|
atoms='H:14 C:7 O:3',
|
|
thermo=(NASA([300.00, 1389.00],
|
|
[ 2.69842062E+00, 9.01458551E-02, -6.19413386E-05,
|
|
2.22789039E-08, -3.34178948E-12, -5.27915898E+04,
|
|
2.39852490E+01]),
|
|
NASA([1389.00, 5000.00],
|
|
[ 2.82068850E+01, 3.20833500E-02, -1.10699870E-05,
|
|
1.72876170E-09, -1.00709919E-13, -6.18824724E+04,
|
|
-1.13686529E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.506,
|
|
well_depth=581.3,
|
|
dipole=2.0,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'nc7ket42',
|
|
atoms='H:14 C:7 O:3',
|
|
thermo=(NASA([300.00, 1388.00],
|
|
[ 2.79961812E+00, 9.18777171E-02, -6.64218079E-05,
|
|
2.57008201E-08, -4.18119784E-12, -5.30617949E+04,
|
|
2.31534700E+01]),
|
|
NASA([1388.00, 5000.00],
|
|
[ 2.82722993E+01, 3.18336613E-02, -1.09420284E-05,
|
|
1.70451864E-09, -9.91282349E-14, -6.19707814E+04,
|
|
-1.13656794E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.506,
|
|
well_depth=581.3,
|
|
dipole=2.0,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'nc7ket43',
|
|
atoms='H:14 C:7 O:3',
|
|
thermo=(NASA([300.00, 1392.00],
|
|
[ 3.48224628E-01, 1.02657937E-01, -8.00268737E-05,
|
|
3.29012562E-08, -5.57165153E-12, -5.07205435E+04,
|
|
3.39067009E+01]),
|
|
NASA([1392.00, 5000.00],
|
|
[ 2.93483957E+01, 3.11049077E-02, -1.07311701E-05,
|
|
1.67579269E-09, -9.76240849E-14, -6.04805074E+04,
|
|
-1.20609073E+02])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=6.506,
|
|
well_depth=581.3,
|
|
dipole=2.0,
|
|
rot_relax=1.0),
|
|
note=u'7/23/98therm')
|
|
|
|
species(name=u'nc4h9coch2',
|
|
atoms='H:11 C:6 O:1',
|
|
thermo=(NASA([300.00, 1387.00],
|
|
[ 6.57240675E-01, 6.91820222E-02, -4.79956182E-05,
|
|
1.78114857E-08, -2.80456388E-12, -1.51806661E+04,
|
|
2.65180216E+01]),
|
|
NASA([1387.00, 5000.00],
|
|
[ 1.98575871E+01, 2.52406370E-02, -8.72522623E-06,
|
|
1.36422047E-09, -7.95374883E-14, -2.20531958E+04,
|
|
-7.71140999E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.625,
|
|
well_depth=534.323),
|
|
note=u'2/22/96therm')
|
|
|
|
species(name=u'c4h7ooh1-4',
|
|
atoms='H:8 C:4 O:2',
|
|
thermo=(NASA([300.00, 1393.00],
|
|
[ 1.79804670E+00, 5.23302551E-02, -3.64638246E-05,
|
|
1.31971888E-08, -1.97165993E-12, -1.32846748E+04,
|
|
2.25862038E+01]),
|
|
NASA([1393.00, 5000.00],
|
|
[ 1.66978343E+01, 1.80578399E-02, -6.22476839E-06,
|
|
9.71479434E-10, -5.65686551E-14, -1.85344720E+04,
|
|
-5.76609547E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.664,
|
|
well_depth=523.2,
|
|
dipole=1.7,
|
|
rot_relax=1.0),
|
|
note=u'4/1/96therm')
|
|
|
|
species(name=u'c5h9ooh1-4',
|
|
atoms='H:10 C:5 O:2',
|
|
thermo=(NASA([300.00, 1397.00],
|
|
[ 7.67782330E-01, 6.93519317E-02, -5.21650213E-05,
|
|
2.06237355E-08, -3.35844189E-12, -1.78318101E+04,
|
|
2.80373555E+01]),
|
|
NASA([1397.00, 5000.00],
|
|
[ 2.02179950E+01, 2.21511744E-02, -7.60711244E-06,
|
|
1.18420679E-09, -6.88331594E-14, -2.44297406E+04,
|
|
-7.58287543E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.68,
|
|
well_depth=543.585),
|
|
note=u'3/27/97therm')
|
|
|
|
species(name=u'c4h7o1-4',
|
|
atoms='H:7 C:4 O:1',
|
|
thermo=(NASA([300.00, 1393.00],
|
|
[-2.92647947E-01, 4.83149119E-02, -3.48133220E-05,
|
|
1.31921468E-08, -2.06485553E-12, 6.29978883E+03,
|
|
3.03629978E+01]),
|
|
NASA([1393.00, 5000.00],
|
|
[ 1.31417783E+01, 1.64166051E-02, -5.56949199E-06,
|
|
8.60114769E-10, -4.97230006E-14, 1.67967537E+03,
|
|
-4.16160087E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.778,
|
|
well_depth=476.0,
|
|
dipole=2.6,
|
|
rot_relax=1.0),
|
|
note=u'4/1/96therm')
|
|
|
|
species(name=u'c5h9o1-4',
|
|
atoms='H:9 C:5 O:1',
|
|
thermo=(NASA([300.00, 1398.00],
|
|
[-8.53018802E-01, 6.41880432E-02, -4.91931508E-05,
|
|
2.00188214E-08, -3.35963237E-12, 1.19509504E+03,
|
|
3.38333616E+01]),
|
|
NASA([1398.00, 5000.00],
|
|
[ 1.66809382E+01, 2.07591828E-02, -7.09289768E-06,
|
|
1.10031617E-09, -6.37992567E-14, -4.67568455E+03,
|
|
-5.95056483E+01])),
|
|
transport=gas_transport(geom='nonlinear',
|
|
diam=5.348,
|
|
well_depth=489.084),
|
|
note=u'3/28/97therm')
|
|
|
|
#-------------------------------------------------------------------------------
|
|
# Reaction data
|
|
#-------------------------------------------------------------------------------
|
|
|
|
# Reaction 1
|
|
falloff_reaction('ch3 + h (+ M) => ch4 (+ M)',
|
|
kf=[2.140000e+15, -0.4, 0.0],
|
|
kf0=[3.310000e+30, -4.0, 2108.03],
|
|
efficiencies='h2:2.0 h2o:5.0 co2:3.0 co:2.0',
|
|
falloff=Troe(A=0.0, T3=1e-15, T1=1e-15, T2=40.0))
|
|
|
|
# Reaction 2
|
|
falloff_reaction('ch4 (+ M) => ch3 + h (+ M)',
|
|
kf=[1.054000e+21, -1.4, 107900.1],
|
|
kf0=[1.630000e+36, -5.0, 110008.13],
|
|
efficiencies='h2:2.0 h2o:5.0 co2:3.0 co:2.0',
|
|
falloff=Troe(A=0.0, T3=1e-15, T1=1e-15, T2=40.0))
|
|
|
|
# Reaction 3
|
|
reaction('ch4 + h => ch3 + h2', [1.727000e+04, 3.0, 8223.95])
|
|
|
|
# Reaction 4
|
|
reaction('ch3 + h2 => ch4 + h', [6.610000e+02, 3.0, 7744.02])
|
|
|
|
# Reaction 5
|
|
reaction('ch4 + oh => ch3 + h2o', [1.930000e+05, 2.4, 2106.12])
|
|
|
|
# Reaction 6
|
|
reaction('ch3 + h2o => ch4 + oh', [4.820000e+02, 2.9, 14859.94])
|
|
|
|
# Reaction 7
|
|
reaction('ch4 + o => ch3 + oh', [2.130000e+06, 2.21, 6479.92])
|
|
|
|
# Reaction 8
|
|
reaction('ch3 + oh => ch4 + o', [3.557000e+04, 2.21, 3919.93])
|
|
|
|
# Reaction 9
|
|
reaction('c2h6 + ch3 => c2h5 + ch4', [1.510000e-07, 6.0, 6047.08])
|
|
|
|
# Reaction 10
|
|
reaction('c2h5 + ch4 => c2h6 + ch3', [9.649000e-10, 6.56, 10219.89])
|
|
|
|
# Reaction 11
|
|
reaction('hco + oh => co + h2o', [1.020000e+14, 0.0, 0.0])
|
|
|
|
# Reaction 12
|
|
reaction('co + h2o => hco + oh', [2.896000e+15, 0.0, 105200.05])
|
|
|
|
# Reaction 13
|
|
reaction('co + oh => co2 + h', [1.400000e+05, 1.95, -1347.04])
|
|
|
|
# Reaction 14
|
|
reaction('co2 + h => co + oh', [1.568000e+07, 1.95, 20989.96])
|
|
|
|
# Reaction 15
|
|
reaction('h + o2 => o + oh', [1.970000e+14, 0.0, 16539.91])
|
|
|
|
# Reaction 16
|
|
reaction('o + oh => h + o2', [1.555000e+13, 0.0, 424.95])
|
|
|
|
# Reaction 17
|
|
reaction('o + h2 => h + oh', [5.080000e+04, 2.67, 6292.07])
|
|
|
|
# Reaction 18
|
|
reaction('h + oh => o + h2', [2.231000e+04, 2.67, 4196.94])
|
|
|
|
# Reaction 19
|
|
reaction('o + h2o => 2 oh', [2.970000e+06, 2.02, 13400.1])
|
|
|
|
# Reaction 20
|
|
reaction('2 oh => o + h2o', [3.013000e+05, 2.02, -3849.9])
|
|
|
|
# Reaction 21
|
|
reaction('oh + h2 => h + h2o', [2.160000e+08, 1.51, 3429.97])
|
|
|
|
# Reaction 22
|
|
reaction('h + h2o => oh + h2', [9.352000e+08, 1.51, 18580.07])
|
|
|
|
# Reaction 23
|
|
three_body_reaction('hco + M => h + co + M', [1.860000e+17, -1.0, 17000.0],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 24
|
|
three_body_reaction('h + co + M => hco + M', [6.467000e+13, 0.0, -441.92],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 25
|
|
reaction('h2o2 + oh => h2o + ho2', [1.000000e+12, 0.0, 0.0],
|
|
options='duplicate')
|
|
|
|
# Reaction 26
|
|
reaction('h2o + ho2 => h2o2 + oh', [1.685000e+11, 0.33, 31460.09],
|
|
options='duplicate')
|
|
|
|
# Reaction 27
|
|
reaction('c2h4 + o => ch3 + hco', [1.020000e+07, 1.88, 179.02])
|
|
|
|
# Reaction 28
|
|
reaction('ch3 + hco => c2h4 + o', [2.851000e+08, 1.05, 31770.08])
|
|
|
|
# Reaction 29
|
|
falloff_reaction('h + c2h4 (+ M) => c2h5 (+ M)',
|
|
kf=[1.081000e+12, 0.45, 1821.94],
|
|
kf0=[1.112000e+34, -5.0, 4447.9],
|
|
efficiencies='h2:2.0 h2o:5.0 co2:3.0 co:2.0',
|
|
falloff=Troe(A=1.0, T3=1e-15, T1=95.0, T2=200.0))
|
|
|
|
# Reaction 30
|
|
falloff_reaction('c2h5 (+ M) => h + c2h4 (+ M)',
|
|
kf=[3.587000e+14, -0.34, 39570.03],
|
|
kf0=[3.690000e+36, -5.79, 42195.98],
|
|
efficiencies='h2:2.0 h2o:5.0 co2:3.0 co:2.0',
|
|
falloff=Troe(A=1.0, T3=1e-15, T1=95.0, T2=200.0))
|
|
|
|
# Reaction 31
|
|
falloff_reaction('ch3oh (+ M) => ch3 + oh (+ M)',
|
|
kf=[1.900000e+16, 0.0, 91729.92],
|
|
kf0=[2.950000e+44, -7.35, 95460.09],
|
|
efficiencies='h2:2.0 h2o:16.0 co2:3.0 co:2.0',
|
|
falloff=Troe(A=0.414, T3=279.0, T1=5459.0, T2=1e+100))
|
|
|
|
# Reaction 32
|
|
falloff_reaction('ch3 + oh (+ M) => ch3oh (+ M)',
|
|
kf=[9.181000e+10, 1.0, 744.98],
|
|
kf0=[1.425000e+39, -6.35, 4475.14],
|
|
efficiencies='h2:2.0 h2o:16.0 co2:3.0 co:2.0',
|
|
falloff=Troe(A=0.414, T3=279.0, T1=5459.0, T2=1e+100))
|
|
|
|
# Reaction 33
|
|
reaction('c2h6 + h => c2h5 + h2', [5.540000e+02, 3.5, 5167.07])
|
|
|
|
# Reaction 34
|
|
reaction('c2h5 + h2 => c2h6 + h', [1.355000e-01, 4.06, 8857.07])
|
|
|
|
# Reaction 35
|
|
reaction('ch3oh + ho2 => ch2oh + h2o2', [3.980000e+13, 0.0, 19400.1])
|
|
|
|
# Reaction 36
|
|
reaction('ch2oh + h2o2 => ch3oh + ho2', [3.130000e+15, -0.9, 10750.0])
|
|
|
|
# Reaction 37
|
|
reaction('c2h5 + o2 => c2h4 + ho2', [1.220000e+30, -5.76, 10099.9])
|
|
|
|
# Reaction 38
|
|
reaction('c2h4 + ho2 => c2h5 + o2', [1.259000e+30, -5.63, 22309.99])
|
|
|
|
# Reaction 39
|
|
reaction('c2h6 + oh => c2h5 + h2o', [5.125000e+06, 2.06, 854.92])
|
|
|
|
# Reaction 40
|
|
reaction('c2h5 + h2o => c2h6 + oh', [1.010000e+07, 2.06, 22979.92])
|
|
|
|
# Reaction 41
|
|
reaction('c2h6 + o => c2h5 + oh', [1.130000e+14, 0.0, 7849.9])
|
|
|
|
# Reaction 42
|
|
reaction('c2h5 + oh => c2h6 + o', [2.080000e+13, 0.0, 12719.89])
|
|
|
|
# Reaction 43
|
|
reaction('ch3 + ho2 => ch3o + oh', [1.100000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 44
|
|
reaction('ch3o + oh => ch3 + ho2', [4.780000e+14, -0.35, 24549.95])
|
|
|
|
# Reaction 45
|
|
reaction('co + ho2 => co2 + oh', [3.010000e+13, 0.0, 23000.0])
|
|
|
|
# Reaction 46
|
|
reaction('co2 + oh => co + ho2', [6.435000e+15, -0.33, 84609.94])
|
|
|
|
# Reaction 47
|
|
falloff_reaction('2 ch3 (+ M) => c2h6 (+ M)',
|
|
kf=[9.214000e+16, -1.17, 635.76],
|
|
kf0=[1.135000e+36, -5.246, 1705.07],
|
|
efficiencies='h2:2.0 h2o:5.0 co2:3.0 co:2.0',
|
|
falloff=Troe(A=0.405, T3=1120.0, T1=69.6, T2=1e+15))
|
|
|
|
# Reaction 48
|
|
falloff_reaction('c2h6 (+ M) => 2 ch3 (+ M)',
|
|
kf=[4.709000e+21, -1.7, 87409.89],
|
|
kf0=[5.801000e+40, -5.776, 88479.21],
|
|
efficiencies='h2:2.0 h2o:5.0 co2:3.0 co:2.0',
|
|
falloff=Troe(A=0.405, T3=1120.0, T1=69.6, T2=1e+15))
|
|
|
|
# Reaction 49
|
|
three_body_reaction('h2o + M => h + oh + M', [1.837000e+27, -3.0, 122599.9],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 50
|
|
three_body_reaction('h + oh + M => h2o + M', [2.250000e+22, -2.0, 0.0],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 51
|
|
falloff_reaction('h + o2 (+ M) => ho2 (+ M)',
|
|
kf=[1.475000e+12, 0.6, 0.0],
|
|
kf0=[3.500000e+16, -0.41, -1115.92],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9',
|
|
falloff=Troe(A=0.5, T3=1e-30, T1=1e+30, T2=1e+100))
|
|
|
|
# Reaction 52
|
|
falloff_reaction('ho2 (+ M) => h + o2 (+ M)',
|
|
kf=[5.053000e+14, -0.07, 49960.09],
|
|
kf0=[1.199000e+19, -1.08, 48844.17],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9',
|
|
falloff=Troe(A=0.5, T3=1e-30, T1=1e+30, T2=1e+100))
|
|
|
|
# Reaction 53
|
|
falloff_reaction('co + o (+ M) => co2 (+ M)',
|
|
kf=[1.800000e+10, 0.0, 2384.08],
|
|
kf0=[1.350000e+24, -2.788, 4190.97],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 54
|
|
three_body_reaction('co2 + M => co + o + M', [1.670000e+16, -1.0, 130099.9],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 55
|
|
reaction('co + o2 => co2 + o', [1.068000e-15, 7.13, 13320.03])
|
|
|
|
# Reaction 56
|
|
reaction('co2 + o => co + o2', [9.444000e-15, 7.13, 19539.91])
|
|
|
|
# Reaction 57
|
|
reaction('hco + h => co + h2', [7.340000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 58
|
|
reaction('co + h2 => hco + h', [4.813000e+14, 0.0, 90000.0])
|
|
|
|
# Reaction 59
|
|
reaction('hco + o => co + oh', [3.020000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 60
|
|
reaction('co + oh => hco + o', [8.697000e+13, 0.0, 87900.1])
|
|
|
|
# Reaction 61
|
|
three_body_reaction('ch2o + M => hco + h + M', [6.283000e+29, -3.57, 93200.05])
|
|
|
|
# Reaction 62
|
|
three_body_reaction('hco + h + M => ch2o + M', [2.660000e+24, -2.57, 427.1])
|
|
|
|
# Reaction 63
|
|
reaction('ch2o + oh => hco + h2o', [3.430000e+09, 1.18, -446.94])
|
|
|
|
# Reaction 64
|
|
reaction('hco + h2o => ch2o + oh', [1.186000e+09, 1.18, 29380.02])
|
|
|
|
# Reaction 65
|
|
reaction('ch2o + h => hco + h2', [9.334000e+08, 1.5, 2976.1])
|
|
|
|
# Reaction 66
|
|
reaction('hco + h2 => ch2o + h', [7.453000e+07, 1.5, 17650.1])
|
|
|
|
# Reaction 67
|
|
reaction('ch2o + o => hco + oh', [4.160000e+11, 0.57, 2761.95])
|
|
|
|
# Reaction 68
|
|
reaction('hco + oh => ch2o + o', [1.459000e+10, 0.57, 15340.11])
|
|
|
|
# Reaction 69
|
|
reaction('ch3 + oh => ch2o + h2', [2.250000e+13, 0.0, 4299.95])
|
|
|
|
# Reaction 70
|
|
reaction('ch2o + h2 => ch3 + oh', [6.756000e+14, 0.0, 76030.11])
|
|
|
|
# Reaction 71
|
|
reaction('ch3 + o => ch2o + h', [8.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 72
|
|
reaction('ch2o + h => ch3 + o', [1.055000e+15, 0.0, 69630.02])
|
|
|
|
# Reaction 73
|
|
reaction('ch3 + o2 => ch3o + o', [1.995000e+18, -1.57, 29210.09])
|
|
|
|
# Reaction 74
|
|
reaction('ch3o + o => ch3 + o2', [3.585000e+18, -1.59, -1630.98])
|
|
|
|
# Reaction 75
|
|
reaction('ch2o + ch3 => hco + ch4', [3.636000e-06, 5.42, 998.09])
|
|
|
|
# Reaction 76
|
|
reaction('hco + ch4 => ch2o + ch3', [7.584000e-06, 5.42, 16150.1])
|
|
|
|
# Reaction 77
|
|
reaction('hco + ch3 => ch4 + co', [1.210000e+14, 0.0, 0.0])
|
|
|
|
# Reaction 78
|
|
reaction('ch4 + co => hco + ch3', [2.073000e+16, 0.0, 90479.92])
|
|
|
|
# Reaction 79
|
|
falloff_reaction('ch3o (+ M) => ch2o + h (+ M)',
|
|
kf=[5.450000e+13, 0.0, 13500.0],
|
|
kf0=[2.344000e+25, -2.7, 30599.9])
|
|
|
|
# Reaction 80
|
|
three_body_reaction('ch2o + h + M => ch3o + M', [3.812000e+09, 1.02, -7489.01])
|
|
|
|
# Reaction 81
|
|
falloff_reaction('c2h4 (+ M) => c2h2 + h2 (+ M)',
|
|
kf=[1.800000e+13, 0.0, 76000.0],
|
|
kf0=[1.500000e+15, 0.0, 55443.12])
|
|
|
|
# Reaction 82
|
|
three_body_reaction('c2h2 + h2 + M => c2h4 + M', [1.877000e+11, 0.17, 34780.11])
|
|
|
|
# Reaction 83
|
|
reaction('ho2 + o => oh + o2', [3.250000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 84
|
|
reaction('oh + o2 => ho2 + o', [7.857000e+14, -0.33, 55390.06])
|
|
|
|
# Reaction 85
|
|
reaction('hco + ho2 => ch2o + o2', [2.974000e+10, 0.33, -3860.9])
|
|
|
|
# Reaction 86
|
|
reaction('ch2o + o2 => hco + ho2', [2.050000e+13, 0.0, 38950.05])
|
|
|
|
# Reaction 87
|
|
reaction('ch3o + o2 => ch2o + ho2', [5.500000e+10, 0.0, 2424.0])
|
|
|
|
# Reaction 88
|
|
reaction('ch2o + ho2 => ch3o + o2', [1.318000e+09, 0.35, 31390.06])
|
|
|
|
# Reaction 89
|
|
reaction('ch3 + ho2 => ch4 + o2', [3.600000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 90
|
|
reaction('ch4 + o2 => ch3 + ho2', [5.177000e+15, -0.33, 57960.09])
|
|
|
|
# Reaction 91
|
|
reaction('hco + o2 => co + ho2', [7.580000e+12, 0.0, 409.89])
|
|
|
|
# Reaction 92
|
|
reaction('co + ho2 => hco + o2', [9.029000e+11, 0.33, 32929.97])
|
|
|
|
# Reaction 93
|
|
reaction('ho2 + h => 2 oh', [7.080000e+13, 0.0, 299.95])
|
|
|
|
# Reaction 94
|
|
reaction('2 oh => ho2 + h', [1.352000e+14, -0.33, 39570.03])
|
|
|
|
# Reaction 95
|
|
reaction('ho2 + h => h2 + o2', [1.660000e+13, 0.0, 820.03])
|
|
|
|
# Reaction 96
|
|
reaction('h2 + o2 => ho2 + h', [9.138000e+14, -0.33, 58299.95])
|
|
|
|
# Reaction 97
|
|
reaction('ho2 + oh => h2o + o2', [2.890000e+13, 0.0, -500.0])
|
|
|
|
# Reaction 98
|
|
reaction('h2o + o2 => ho2 + oh', [6.888000e+15, -0.33, 72140.06])
|
|
|
|
# Reaction 99
|
|
reaction('h2o2 + o2 => 2 ho2', [5.942000e+17, -0.66, 53150.1],
|
|
options='duplicate')
|
|
|
|
# Reaction 100
|
|
reaction('2 ho2 => h2o2 + o2', [4.200000e+14, 0.0, 11979.92],
|
|
options='duplicate')
|
|
|
|
# Reaction 101
|
|
falloff_reaction('2 oh (+ M) => h2o2 (+ M)',
|
|
kf=[1.236000e+14, -0.37, 0.0],
|
|
kf0=[3.041000e+30, -4.63, 2049.0],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9',
|
|
falloff=Troe(A=0.47, T3=100.0, T1=2000.0, T2=1e+15))
|
|
|
|
# Reaction 102
|
|
falloff_reaction('h2o2 (+ M) => 2 oh (+ M)',
|
|
kf=[3.138000e+19, -1.37, 51859.94],
|
|
kf0=[7.721000e+35, -5.63, 53908.94],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9',
|
|
falloff=Troe(A=0.47, T3=100.0, T1=2000.0, T2=1e+15))
|
|
|
|
# Reaction 103
|
|
reaction('h2o2 + h => h2o + oh', [2.410000e+13, 0.0, 3969.89])
|
|
|
|
# Reaction 104
|
|
reaction('h2o + oh => h2o2 + h', [7.750000e+12, 0.0, 74710.09])
|
|
|
|
# Reaction 105
|
|
reaction('ch4 + ho2 => ch3 + h2o2', [3.420000e+11, 0.0, 19289.91])
|
|
|
|
# Reaction 106
|
|
reaction('ch3 + h2o2 => ch4 + ho2', [3.365000e+11, -0.33, 2501.91])
|
|
|
|
# Reaction 107
|
|
reaction('ch2o + ho2 => hco + h2o2', [5.820000e-03, 4.53, 6556.88])
|
|
|
|
# Reaction 108
|
|
reaction('hco + h2o2 => ch2o + ho2', [1.194000e-02, 4.2, 4920.89])
|
|
|
|
# Reaction 109
|
|
three_body_reaction('oh + M => o + h + M', [3.909000e+22, -2.0, 105299.95],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 110
|
|
three_body_reaction('o + h + M => oh + M', [4.720000e+18, -1.0, 0.0],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 111
|
|
three_body_reaction('o2 + M => 2 o + M', [6.473000e+20, -1.5, 121500.0],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 112
|
|
three_body_reaction('2 o + M => o2 + M', [6.170000e+15, -0.5, 0.0],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 113
|
|
three_body_reaction('h2 + M => 2 h + M', [4.570000e+19, -1.4, 104400.1],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 114
|
|
three_body_reaction('2 h + M => h2 + M', [2.423000e+15, -0.4, -3039.91],
|
|
efficiencies='h2:2.5 h2o:12.0 co2:3.8 co:1.9')
|
|
|
|
# Reaction 115
|
|
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 116
|
|
falloff_reaction('c2h4 (+ M) => c2h3 + h (+ M)',
|
|
kf=[1.692000e+15, 0.1, 107099.9],
|
|
kf0=[2.718000e+32, -4.03, 110139.82],
|
|
falloff=Troe(A=0.782, T3=208.0, T1=2663.0, T2=6095.0))
|
|
|
|
# Reaction 117
|
|
reaction('c2h5 + c2h3 => 2 c2h4', [3.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 118
|
|
reaction('2 c2h4 => c2h5 + c2h3', [4.820000e+14, 0.0, 71530.11])
|
|
|
|
# Reaction 119
|
|
falloff_reaction('c2h2 + h (+ M) => c2h3 (+ M)',
|
|
kf=[3.110000e+11, 0.58, 2588.91],
|
|
kf0=[2.254000e+40, -7.269, 6576.96],
|
|
efficiencies='h2:2.0 h2o:5.0 co2:3.0 co:2.0',
|
|
falloff=Troe(A=1.0, T3=1e-15, T1=675.0, T2=1e+15))
|
|
|
|
# Reaction 120
|
|
falloff_reaction('c2h3 (+ M) => c2h2 + h (+ M)',
|
|
kf=[2.028000e+15, -0.42, 44460.09],
|
|
kf0=[1.470000e+44, -8.269, 48448.14],
|
|
efficiencies='h2:2.0 h2o:5.0 co2:3.0 co:2.0',
|
|
falloff=Troe(A=1.0, T3=1e-15, T1=675.0, T2=1e+15))
|
|
|
|
# Reaction 121
|
|
reaction('c2h4 + h => c2h3 + h2', [8.420000e-03, 4.62, 2582.93])
|
|
|
|
# Reaction 122
|
|
reaction('c2h3 + h2 => c2h4 + h', [5.723000e-01, 3.79, 3233.03])
|
|
|
|
# Reaction 123
|
|
reaction('c2h4 + oh => c2h3 + h2o', [2.020000e+13, 0.0, 5955.07])
|
|
|
|
# Reaction 124
|
|
reaction('c2h3 + h2o => c2h4 + oh', [1.015000e+13, 0.0, 20219.89])
|
|
|
|
# Reaction 125
|
|
reaction('c2h3 + o2 => c2h2 + ho2', [5.190000e-15, -1.26, 3309.99],
|
|
options='duplicate')
|
|
|
|
# Reaction 126
|
|
reaction('c2h2 + ho2 => c2h3 + o2', [2.727000e-16, -0.93, 11400.1],
|
|
options='duplicate')
|
|
|
|
# Reaction 127
|
|
three_body_reaction('c2h2 + M => c2h + h + M', [4.200000e+16, 0.0, 107000.0])
|
|
|
|
# Reaction 128
|
|
three_body_reaction('c2h + h + M => c2h2 + M', [7.130000e+07, 2.08, -28909.89])
|
|
|
|
# Reaction 129
|
|
reaction('c2h2 + o2 => hcco + oh', [2.000000e+08, 1.5, 30099.9])
|
|
|
|
# Reaction 130
|
|
reaction('hcco + oh => c2h2 + o2', [2.232000e+05, 1.5, 25400.1])
|
|
|
|
# Reaction 131
|
|
reaction('ch2 + o2 => co + h2o', [7.280000e+19, -2.54, 1809.03])
|
|
|
|
# Reaction 132
|
|
reaction('co + h2o => ch2 + o2', [8.508000e+20, -2.54, 179799.95])
|
|
|
|
# Reaction 133
|
|
reaction('c2h2 + oh => c2h + h2o', [3.370000e+07, 2.0, 14000.0])
|
|
|
|
# Reaction 134
|
|
reaction('c2h + h2o => c2h2 + oh', [4.671000e+03, 3.08, 684.99])
|
|
|
|
# Reaction 135
|
|
reaction('o + c2h2 => c2h + oh', [3.160000e+15, -0.6, 15000.0])
|
|
|
|
# Reaction 136
|
|
reaction('c2h + oh => o + c2h2', [4.443000e+10, 0.48, -15570.03])
|
|
|
|
# Reaction 137
|
|
reaction('c2h2 + o => ch2 + co', [6.120000e+06, 2.0, 1900.1])
|
|
|
|
# Reaction 138
|
|
reaction('ch2 + co => c2h2 + o', [1.152000e+06, 2.0, 52570.03])
|
|
|
|
# Reaction 139
|
|
reaction('c2h + o2 => hco + co', [2.410000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 140
|
|
reaction('hco + co => c2h + o2', [1.328000e+16, -1.08, 154099.9])
|
|
|
|
# Reaction 141
|
|
reaction('c2h + o => co + ch', [1.810000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 142
|
|
reaction('co + ch => c2h + o', [7.478000e+16, -1.08, 82130.02])
|
|
|
|
# Reaction 143
|
|
reaction('ch2 + o2 => hco + oh', [1.290000e+20, -3.3, 283.94])
|
|
|
|
# Reaction 144
|
|
reaction('hco + oh => ch2 + o2', [5.310000e+19, -3.3, 73169.93])
|
|
|
|
# Reaction 145
|
|
reaction('ch2 + o => co + 2 h', [5.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 146
|
|
reaction('co + 2 h => ch2 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 147
|
|
reaction('ch2 + h => ch + h2', [1.000000e+18, -1.56, 0.0])
|
|
|
|
# Reaction 148
|
|
reaction('ch + h2 => ch2 + h', [7.026000e+17, -1.56, 2989.96])
|
|
|
|
# Reaction 149
|
|
reaction('ch2 + oh => ch + h2o', [1.130000e+07, 2.0, 3000.0])
|
|
|
|
# Reaction 150
|
|
reaction('ch + h2o => ch2 + oh', [3.437000e+07, 2.0, 21150.1])
|
|
|
|
# Reaction 151
|
|
reaction('ch2 + o2 => co2 + 2 h', [3.290000e+21, -3.3, 2868.07])
|
|
|
|
# Reaction 152
|
|
reaction('co2 + 2 h => ch2 + o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 153
|
|
reaction('ch + o2 => hco + o', [3.300000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 154
|
|
reaction('hco + o => ch + o2', [4.402000e+13, 0.0, 71989.96])
|
|
|
|
# Reaction 155
|
|
reaction('ch3oh + oh => ch2oh + h2o', [7.100000e+06, 1.8, -596.08])
|
|
|
|
# Reaction 156
|
|
reaction('ch2oh + h2o => ch3oh + oh', [3.293000e+01, 3.46, 22719.89])
|
|
|
|
# Reaction 157
|
|
reaction('ch3oh + h => ch3o + h2', [3.600000e+12, 0.0, 6094.89])
|
|
|
|
# Reaction 158
|
|
reaction('ch3o + h2 => ch3oh + h', [7.467000e+12, -0.02, 7825.05])
|
|
|
|
# Reaction 159
|
|
reaction('ch3oh + h => ch2oh + h2', [1.440000e+13, 0.0, 6094.89])
|
|
|
|
# Reaction 160
|
|
reaction('ch2oh + h2 => ch3oh + h', [1.543000e+07, 1.66, 14250.0])
|
|
|
|
# Reaction 161
|
|
reaction('ch3oh + ch3 => ch2oh + ch4', [3.190000e+01, 3.17, 7172.08])
|
|
|
|
# Reaction 162
|
|
reaction('ch2oh + ch4 => ch3oh + ch3', [8.927000e-04, 4.83, 15809.99])
|
|
|
|
# Reaction 163
|
|
reaction('ch3oh + o => ch2oh + oh', [3.880000e+05, 2.5, 3080.07])
|
|
|
|
# Reaction 164
|
|
reaction('ch2oh + oh => ch3oh + o', [4.960000e+03, 2.5, 8781.07])
|
|
|
|
# Reaction 165
|
|
reaction('ch2oh + o2 => ch2o + ho2', [3.810000e+06, 2.0, 1641.01])
|
|
|
|
# Reaction 166
|
|
reaction('ch2o + ho2 => ch2oh + o2', [1.768000e+11, 0.67, 24179.97])
|
|
|
|
# Reaction 167
|
|
falloff_reaction('ch2oh (+ M) => ch2o + h (+ M)',
|
|
kf=[2.800000e+14, -0.73, 32820.03],
|
|
kf0=[6.010000e+33, -5.39, 36200.05],
|
|
falloff=Troe(A=0.96, T3=67.6, T1=1855.0, T2=7543.0))
|
|
|
|
# Reaction 168
|
|
falloff_reaction('ch2o + h (+ M) => ch2oh (+ M)',
|
|
kf=[3.792000e+16, -1.39, 5402.01],
|
|
kf0=[8.139000e+35, -6.05, 8782.03],
|
|
falloff=Troe(A=0.96, T3=67.6, T1=1855.0, T2=7543.0))
|
|
|
|
# Reaction 169
|
|
reaction('c2h3 + o2 => c2h2 + ho2', [2.120000e-06, 6.0, 9483.99],
|
|
options='duplicate')
|
|
|
|
# Reaction 170
|
|
reaction('c2h2 + ho2 => c2h3 + o2', [1.114000e-07, 6.33, 17570.03],
|
|
options='duplicate')
|
|
|
|
# Reaction 171
|
|
reaction('h2o2 + o => oh + ho2', [9.550000e+06, 2.0, 3969.89])
|
|
|
|
# Reaction 172
|
|
reaction('oh + ho2 => h2o2 + o', [2.541000e+07, 1.68, 19849.9])
|
|
|
|
# Reaction 173
|
|
reaction('c2h2 + o => hcco + h', [1.430000e+07, 2.0, 1900.1])
|
|
|
|
# Reaction 174
|
|
reaction('hcco + h => c2h2 + o', [2.021000e+05, 2.0, 13309.99])
|
|
|
|
# Reaction 175
|
|
reaction('c2h2 + oh => ch2co + h', [2.190000e-04, 4.5, -1000.0])
|
|
|
|
# Reaction 176
|
|
reaction('ch2co + h => c2h2 + oh', [2.161000e-03, 4.5, 19669.93])
|
|
|
|
# Reaction 177
|
|
reaction('ch2co + h => ch3 + co', [1.100000e+13, 0.0, 3400.1])
|
|
|
|
# Reaction 178
|
|
reaction('ch3 + co => ch2co + h', [2.400000e+12, 0.0, 40200.05])
|
|
|
|
# Reaction 179
|
|
reaction('ch2co + o => ch2 + co2', [1.750000e+12, 0.0, 1349.9])
|
|
|
|
# Reaction 180
|
|
reaction('ch2 + co2 => ch2co + o', [3.739000e+12, 0.0, 53690.01])
|
|
|
|
# Reaction 181
|
|
reaction('ch2 + o2 => ch2o + o', [3.290000e+21, -3.3, 2868.07])
|
|
|
|
# Reaction 182
|
|
reaction('ch2o + o => ch2 + o2', [3.862000e+22, -3.3, 63179.97])
|
|
|
|
# Reaction 183
|
|
falloff_reaction('ch2co (+ M) => ch2 + co (+ M)',
|
|
kf=[3.000000e+14, 0.0, 70979.92],
|
|
kf0=[3.600000e+15, 0.0, 59270.08])
|
|
|
|
# Reaction 184
|
|
three_body_reaction('ch2 + co + M => ch2co + M', [6.909000e+08, 1.0, -4359.94])
|
|
|
|
# Reaction 185
|
|
reaction('ch2co + o => hcco + oh', [1.000000e+13, 0.0, 8000.0])
|
|
|
|
# Reaction 186
|
|
reaction('hcco + oh => ch2co + o', [1.432000e+10, 0.0, -1255.02])
|
|
|
|
# Reaction 187
|
|
reaction('ch2co + oh => hcco + h2o', [1.000000e+13, 0.0, 2000.0])
|
|
|
|
# Reaction 188
|
|
reaction('hcco + h2o => ch2co + oh', [1.412000e+11, 0.0, 9994.98])
|
|
|
|
# Reaction 189
|
|
reaction('ch2co + h => hcco + h2', [2.000000e+14, 0.0, 8000.0])
|
|
|
|
# Reaction 190
|
|
reaction('hcco + h2 => ch2co + h', [6.522000e+11, 0.0, 840.11])
|
|
|
|
# Reaction 191
|
|
reaction('hcco + oh => 2 hco', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 192
|
|
reaction('2 hco => hcco + oh', [4.820000e+13, 0.0, 40359.94])
|
|
|
|
# Reaction 193
|
|
reaction('hcco + h => ch2(s) + co', [1.100000e+14, 0.0, 0.0])
|
|
|
|
# Reaction 194
|
|
reaction('ch2(s) + co => hcco + h', [6.660000e+13, 0.0, 39260.04])
|
|
|
|
# Reaction 195
|
|
reaction('hcco + o => h + 2 co', [8.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 196
|
|
reaction('h + 2 co => hcco + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 197
|
|
reaction('c2h6 + o2 => c2h5 + ho2', [4.000000e+13, 0.0, 50900.1])
|
|
|
|
# Reaction 198
|
|
reaction('c2h5 + ho2 => c2h6 + o2', [3.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 199
|
|
reaction('c2h6 + ho2 => c2h5 + h2o2', [1.700000e+13, 0.0, 20460.09])
|
|
|
|
# Reaction 200
|
|
reaction('c2h5 + h2o2 => c2h6 + ho2', [1.069000e+11, 0.24, 7842.02])
|
|
|
|
# Reaction 201
|
|
reaction('ch2 + o2 => co2 + h2', [1.010000e+21, -3.3, 1507.89])
|
|
|
|
# Reaction 202
|
|
reaction('co2 + h2 => ch2 + o2', [3.054000e+23, -3.3, 186700.05])
|
|
|
|
# Reaction 203
|
|
reaction('ch3 + c2h3 => ch4 + c2h2', [3.920000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 204
|
|
reaction('ch4 + c2h2 => ch3 + c2h3', [2.962000e+13, 0.0, 66049.95])
|
|
|
|
# Reaction 205
|
|
reaction('ch3 + c2h5 => ch4 + c2h4', [1.950000e+13, -0.5, 0.0])
|
|
|
|
# Reaction 206
|
|
reaction('ch4 + c2h4 => ch3 + c2h5', [2.895000e+16, -0.7, 70169.93])
|
|
|
|
# Reaction 207
|
|
reaction('ch3oh + ch2o => 2 ch3o', [3.835000e+13, 0.05, 84719.89])
|
|
|
|
# Reaction 208
|
|
reaction('2 ch3o => ch3oh + ch2o', [6.030000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 209
|
|
reaction('ch2o + ch3o => ch3oh + hco', [1.150000e+11, 0.0, 1280.11])
|
|
|
|
# Reaction 210
|
|
reaction('ch3oh + hco => ch2o + ch3o', [3.020000e+11, 0.0, 18159.89])
|
|
|
|
# Reaction 211
|
|
reaction('ch4 + ch3o => ch3 + ch3oh', [1.570000e+11, 0.0, 8842.02])
|
|
|
|
# Reaction 212
|
|
reaction('ch3 + ch3oh => ch4 + ch3o', [1.046000e+09, 0.0, 50000.0])
|
|
|
|
# Reaction 213
|
|
reaction('c2h6 + ch3o => c2h5 + ch3oh', [3.000000e+11, 0.0, 7000.0])
|
|
|
|
# Reaction 214
|
|
reaction('c2h5 + ch3oh => c2h6 + ch3o', [1.714000e+10, 0.0, 50000.0])
|
|
|
|
# Reaction 215
|
|
reaction('c2h3 + h => c2h2 + h2', [2.000000e+13, 0.0, 2500.0])
|
|
|
|
# Reaction 216
|
|
reaction('c2h2 + h2 => c2h3 + h', [1.331000e+13, 0.0, 68080.07])
|
|
|
|
# Reaction 217
|
|
reaction('ch3o + ch3oh => ch2oh + ch3oh', [3.000000e+11, 0.0, 4074.09])
|
|
|
|
# Reaction 218
|
|
reaction('ch2oh + ch3oh => ch3o + ch3oh', [1.549000e+05, 1.68, 10500.0])
|
|
|
|
# Reaction 219
|
|
reaction('ch3oh + oh => ch3o + h2o', [1.000000e+06, 2.1, 496.65])
|
|
|
|
# Reaction 220
|
|
reaction('ch3o + h2o => ch3oh + oh', [8.981000e+06, 2.08, 17380.02])
|
|
|
|
# Reaction 221
|
|
reaction('c2h5 + h => 2 ch3', [3.610000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 222
|
|
reaction('2 ch3 => c2h5 + h', [5.446000e+16, -1.03, 16979.92])
|
|
|
|
# Reaction 223
|
|
reaction('c2h3 + o2 => ch2o + hco', [1.700000e+29, -5.31, 6500.0])
|
|
|
|
# Reaction 224
|
|
reaction('ch2o + hco => c2h3 + o2', [1.657000e+29, -5.31, 93049.95])
|
|
|
|
# Reaction 225
|
|
reaction('c2h6 => c2h5 + h', [2.783000e+21, -1.56, 103799.95])
|
|
|
|
# Reaction 226
|
|
reaction('c2h5 + h => c2h6', [3.610000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 227
|
|
reaction('pc2h4oh => c2h4 + oh', [1.293000e+12, -0.37, 26849.9])
|
|
|
|
# Reaction 228
|
|
reaction('c2h4 + oh => pc2h4oh', [9.930000e+11, 0.0, -960.09])
|
|
|
|
# Reaction 229
|
|
reaction('c2h4 + ch3 => c2h3 + ch4', [6.620000e+00, 3.7, 9500.0])
|
|
|
|
# Reaction 230
|
|
reaction('c2h3 + ch4 => c2h4 + ch3', [1.440000e+00, 4.02, 5472.04])
|
|
|
|
# Reaction 231
|
|
falloff_reaction('ch3co (+ M) => ch3 + co (+ M)',
|
|
kf=[3.000000e+12, 0.0, 16719.89],
|
|
kf0=[1.200000e+15, 0.0, 12517.93])
|
|
|
|
# Reaction 232
|
|
three_body_reaction('ch3 + co + M => ch3co + M', [9.623000e+11, -0.13, 9777.96])
|
|
|
|
# Reaction 233
|
|
reaction('ch3cho => ch3 + hco', [2.614000e+15, 0.15, 80549.95])
|
|
|
|
# Reaction 234
|
|
reaction('ch3 + hco => ch3cho', [2.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 235
|
|
reaction('ch3cho + o2 => ch3co + ho2', [3.010000e+13, 0.0, 39150.1])
|
|
|
|
# Reaction 236
|
|
reaction('ch3co + ho2 => ch3cho + o2', [8.552000e+10, 0.32, -1940.01])
|
|
|
|
# Reaction 237
|
|
reaction('ch3cho + oh => ch3co + h2o', [2.000000e+06, 1.8, 1299.95])
|
|
|
|
# Reaction 238
|
|
reaction('ch3co + h2o => ch3cho + oh', [1.354000e+06, 1.79, 32849.9])
|
|
|
|
# Reaction 239
|
|
reaction('ch3cho + h => ch3co + h2', [1.340000e+13, 0.0, 3299.95])
|
|
|
|
# Reaction 240
|
|
reaction('ch3co + h2 => ch3cho + h', [2.096000e+12, -0.01, 19690.01])
|
|
|
|
# Reaction 241
|
|
reaction('ch3cho + o => ch3co + oh', [5.940000e+12, 0.0, 1868.07])
|
|
|
|
# Reaction 242
|
|
reaction('ch3co + oh => ch3cho + o', [4.080000e+11, -0.01, 16169.93])
|
|
|
|
# Reaction 243
|
|
reaction('ch3cho + ho2 => ch3co + h2o2', [3.010000e+12, 0.0, 11929.97])
|
|
|
|
# Reaction 244
|
|
reaction('ch3co + h2o2 => ch3cho + ho2', [1.210000e+13, -0.34, 12010.04])
|
|
|
|
# Reaction 245
|
|
reaction('ch3cho + ch3 => ch3co + ch4', [2.608000e+06, 1.78, 5911.09])
|
|
|
|
# Reaction 246
|
|
reaction('ch3co + ch4 => ch3cho + ch3', [1.066000e+07, 1.77, 22789.91])
|
|
|
|
# Reaction 247
|
|
reaction('c3h5-s => c2h2 + ch3', [9.598000e+39, -8.17, 42030.11])
|
|
|
|
# Reaction 248
|
|
reaction('c2h2 + ch3 => c3h5-s', [1.610000e+40, -8.58, 20330.07])
|
|
|
|
# Reaction 249
|
|
reaction('c2h2 + ch3 => c3h4-p + h', [1.211000e+17, -1.2, 16679.97])
|
|
|
|
# Reaction 250
|
|
reaction('c3h4-p + h => c2h2 + ch3', [1.000000e+14, 0.0, 4000.0])
|
|
|
|
# Reaction 251
|
|
reaction('c3h5-a => c2h2 + ch3', [2.397000e+48, -9.9, 82080.07])
|
|
|
|
# Reaction 252
|
|
reaction('c2h2 + ch3 => c3h5-a', [2.610000e+46, -9.82, 36950.05])
|
|
|
|
# Reaction 253
|
|
reaction('c3h6 => c2h3 + ch3', [2.730000e+62, -13.28, 123200.05])
|
|
|
|
# Reaction 254
|
|
reaction('c2h3 + ch3 => c3h6', [4.712000e+59, -13.19, 29539.91])
|
|
|
|
# Reaction 255
|
|
reaction('c2h2 + ch3 => c3h4-a + h', [6.740000e+19, -2.08, 31590.11])
|
|
|
|
# Reaction 256
|
|
reaction('c3h4-a + h => c2h2 + ch3', [1.149000e+16, -0.7, 15789.91])
|
|
|
|
# Reaction 257
|
|
reaction('c3h6 => c3h5-a + h', [2.010000e+61, -13.26, 118500.0])
|
|
|
|
# Reaction 258
|
|
reaction('c3h5-a + h => c3h6', [4.887000e+56, -12.25, 28080.07])
|
|
|
|
# Reaction 259
|
|
reaction('c3h6 + o => ch2co + ch3 + h', [2.500000e+07, 1.76, 76.0])
|
|
|
|
# Reaction 260
|
|
reaction('ch2co + ch3 + h => c3h6 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 261
|
|
reaction('c3h6 + o => c2h5 + hco', [1.580000e+07, 1.76, -1216.06])
|
|
|
|
# Reaction 262
|
|
reaction('c2h5 + hco => c3h6 + o', [1.402000e+05, 1.88, 26510.04])
|
|
|
|
# Reaction 263
|
|
reaction('c3h6 + o => ch3chco + 2 h', [2.500000e+07, 1.76, 76.0])
|
|
|
|
# Reaction 264
|
|
reaction('ch3chco + 2 h => c3h6 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 265
|
|
reaction('c3h6 => c3h5-s + h', [7.710000e+69, -16.09, 140000.0])
|
|
|
|
# Reaction 266
|
|
reaction('c3h5-s + h => c3h6', [1.217000e+63, -14.6, 26159.89])
|
|
|
|
# Reaction 267
|
|
reaction('c3h6 + ho2 => c3h5-a + h2o2', [1.500000e+11, 0.0, 14190.01])
|
|
|
|
# Reaction 268
|
|
reaction('c3h5-a + h2o2 => c3h6 + ho2', [5.867000e+05, 1.33, 9759.08])
|
|
|
|
# Reaction 269
|
|
reaction('c3h6 + ho2 => c3h5-s + h2o2', [7.500000e+09, 0.0, 12570.03])
|
|
|
|
# Reaction 270
|
|
reaction('c3h5-s + h2o2 => c3h6 + ho2', [2.308000e+04, 1.27, -13419.93])
|
|
|
|
# Reaction 271
|
|
reaction('c3h6 + ho2 => c3h5-t + h2o2', [3.000000e+09, 0.0, 9929.97])
|
|
|
|
# Reaction 272
|
|
reaction('c3h5-t + h2o2 => c3h6 + ho2', [9.234000e+03, 1.27, -14059.99])
|
|
|
|
# Reaction 273
|
|
reaction('c3h6 + oh => c3h5-a + h2o', [3.120000e+06, 2.0, -298.04])
|
|
|
|
# Reaction 274
|
|
reaction('c3h5-a + h2o => c3h6 + oh', [6.194000e+06, 2.01, 31880.02])
|
|
|
|
# Reaction 275
|
|
reaction('c3h6 + oh => c3h5-s + h2o', [2.110000e+06, 2.0, 2777.96])
|
|
|
|
# Reaction 276
|
|
reaction('c3h5-s + h2o => c3h6 + oh', [2.719000e+04, 2.49, 11530.11])
|
|
|
|
# Reaction 277
|
|
reaction('c4h6 => 2 c2h3', [4.027000e+19, -1.0, 98150.1])
|
|
|
|
# Reaction 278
|
|
reaction('2 c2h3 => c4h6', [1.260000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 279
|
|
reaction('c4h6 + oh => c2h5 + ch2co', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 280
|
|
reaction('c2h5 + ch2co => c4h6 + oh', [3.730000e+12, 0.0, 30020.08])
|
|
|
|
# Reaction 281
|
|
reaction('c4h6 + oh => ch2o + c3h5-a', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 282
|
|
reaction('ch2o + c3h5-a => c4h6 + oh', [3.501000e+06, 0.0, 71059.99])
|
|
|
|
# Reaction 283
|
|
reaction('c4h6 + oh => c2h3 + ch3cho', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 284
|
|
reaction('c2h3 + ch3cho => c4h6 + oh', [5.437000e+11, 0.0, 18549.95])
|
|
|
|
# Reaction 285
|
|
reaction('c4h6 + o => c2h4 + ch2co', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 286
|
|
reaction('c2h4 + ch2co => c4h6 + o', [6.377000e+11, 0.0, 94340.11])
|
|
|
|
# Reaction 287
|
|
reaction('c4h6 + o => ch2o + c3h4-a', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 288
|
|
reaction('ch2o + c3h4-a => c4h6 + o', [1.075000e+12, 0.0, 79049.95])
|
|
|
|
# Reaction 289
|
|
reaction('c2h4 + o2 => c2h3 + ho2', [4.000000e+13, 0.0, 58200.05])
|
|
|
|
# Reaction 290
|
|
reaction('c2h3 + ho2 => c2h4 + o2', [4.939000e+13, -0.5, 1368.07])
|
|
|
|
# Reaction 291
|
|
three_body_reaction('ch2o + M => co + h2 + M', [1.826000e+32, -4.42, 87119.98])
|
|
|
|
# Reaction 292
|
|
three_body_reaction('co + h2 + M => ch2o + M', [5.070000e+27, -3.42, 84349.9])
|
|
|
|
# Reaction 293
|
|
reaction('nc3h7 => ch3 + c2h4', [2.284000e+14, -0.55, 28400.1])
|
|
|
|
# Reaction 294
|
|
reaction('ch3 + c2h4 => nc3h7', [4.100000e+11, 0.0, 7204.11])
|
|
|
|
# Reaction 295
|
|
reaction('nc3h7 => h + c3h6', [2.667000e+15, -0.64, 36820.03])
|
|
|
|
# Reaction 296
|
|
reaction('h + c3h6 => nc3h7', [1.000000e+13, 0.0, 2500.0])
|
|
|
|
# Reaction 297
|
|
reaction('nc3h7 + o2 => c3h6 + ho2', [3.000000e+11, 0.0, 3000.0])
|
|
|
|
# Reaction 298
|
|
reaction('c3h6 + ho2 => nc3h7 + o2', [2.000000e+11, 0.0, 17500.0])
|
|
|
|
# Reaction 299
|
|
reaction('c2h4 + ch3o => c2h3 + ch3oh', [1.200000e+11, 0.0, 6750.0])
|
|
|
|
# Reaction 300
|
|
reaction('c2h3 + ch3oh => c2h4 + ch3o', [1.000000e+10, 0.0, 9000.0])
|
|
|
|
# Reaction 301
|
|
reaction('c3h6 + oh => c3h5-t + h2o', [1.110000e+06, 2.0, 1451.0])
|
|
|
|
# Reaction 302
|
|
reaction('c3h5-t + h2o => c3h6 + oh', [3.276000e+03, 2.69, 12309.99])
|
|
|
|
# Reaction 303
|
|
reaction('c3h6 + o => c3h5-a + oh', [5.240000e+11, 0.7, 5884.08])
|
|
|
|
# Reaction 304
|
|
reaction('c3h5-a + oh => c3h6 + o', [1.055000e+11, 0.71, 20820.03])
|
|
|
|
# Reaction 305
|
|
reaction('c3h6 + o => c3h5-s + oh', [1.200000e+11, 0.7, 8958.89])
|
|
|
|
# Reaction 306
|
|
reaction('c3h5-s + oh => c3h6 + o', [1.569000e+08, 1.19, 460.09])
|
|
|
|
# Reaction 307
|
|
reaction('c3h6 + o => c3h5-t + oh', [6.030000e+10, 0.7, 7631.93])
|
|
|
|
# Reaction 308
|
|
reaction('c3h5-t + oh => c3h6 + o', [1.805000e+07, 1.39, 1243.07])
|
|
|
|
# Reaction 309
|
|
reaction('c3h6 + h => c3h5-a + h2', [1.730000e+05, 2.5, 2492.11])
|
|
|
|
# Reaction 310
|
|
reaction('c3h5-a + h2 => c3h6 + h', [7.933000e+04, 2.51, 19520.08])
|
|
|
|
# Reaction 311
|
|
reaction('c3h6 + o2 => c3h5-s + ho2', [2.000000e+12, 0.0, 62900.1])
|
|
|
|
# Reaction 312
|
|
reaction('c3h5-s + ho2 => c3h6 + o2', [1.081000e+08, 0.82, -983.99])
|
|
|
|
# Reaction 313
|
|
reaction('c3h6 + h => c2h4 + ch3', [4.830000e+33, -5.81, 18500.0])
|
|
|
|
# Reaction 314
|
|
reaction('c2h4 + ch3 => c3h6 + h', [2.313000e+33, -5.9, 31619.98])
|
|
|
|
# Reaction 315
|
|
reaction('ic3h7 => h + c3h6', [8.569000e+18, -1.57, 40340.11])
|
|
|
|
# Reaction 316
|
|
reaction('h + c3h6 => ic3h7', [1.300000e+13, 0.0, 1559.99])
|
|
|
|
# Reaction 317
|
|
reaction('ic3h7 + h => c3h6 + h2', [2.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 318
|
|
reaction('c3h6 + h2 => ic3h7 + h', [4.822000e+09, 0.69, 12090.11])
|
|
|
|
# Reaction 319
|
|
reaction('ic3h7 + o2 => c3h6 + ho2', [4.500000e+11, 0.0, 5020.08])
|
|
|
|
# Reaction 320
|
|
reaction('c3h6 + ho2 => ic3h7 + o2', [2.000000e+11, 0.0, 17500.0])
|
|
|
|
# Reaction 321
|
|
reaction('c3h8 => ch3 + c2h5', [7.900000e+22, -1.8, 88630.02])
|
|
|
|
# Reaction 322
|
|
reaction('ch3 + c2h5 => c3h8', [3.659000e+14, -0.36, 989.01])
|
|
|
|
# Reaction 323
|
|
reaction('c3h8 + o2 => ic3h7 + ho2', [4.000000e+13, 0.0, 47500.0])
|
|
|
|
# Reaction 324
|
|
reaction('ic3h7 + ho2 => c3h8 + o2', [2.080000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 325
|
|
reaction('c3h8 + o2 => nc3h7 + ho2', [4.000000e+13, 0.0, 47500.0])
|
|
|
|
# Reaction 326
|
|
reaction('nc3h7 + ho2 => c3h8 + o2', [2.080000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 327
|
|
reaction('h + c3h8 => h2 + ic3h7', [1.300000e+06, 2.4, 4471.08])
|
|
|
|
# Reaction 328
|
|
reaction('h2 + ic3h7 => h + c3h8', [4.709000e+05, 2.15, 12179.97])
|
|
|
|
# Reaction 329
|
|
reaction('h + c3h8 => h2 + nc3h7', [1.880000e+05, 2.75, 6280.11])
|
|
|
|
# Reaction 330
|
|
reaction('h2 + nc3h7 => h + c3h8', [2.756000e+01, 3.44, 9530.11])
|
|
|
|
# Reaction 331
|
|
reaction('c3h8 + o => ic3h7 + oh', [2.810000e+13, 0.0, 5200.05])
|
|
|
|
# Reaction 332
|
|
reaction('ic3h7 + oh => c3h8 + o', [1.870000e+12, 0.0, 9607.07])
|
|
|
|
# Reaction 333
|
|
reaction('c3h8 + o => nc3h7 + oh', [1.130000e+14, 0.0, 7849.9])
|
|
|
|
# Reaction 334
|
|
reaction('nc3h7 + oh => c3h8 + o', [7.530000e+12, 0.0, 12260.04])
|
|
|
|
# Reaction 335
|
|
reaction('c3h8 + oh => nc3h7 + h2o', [1.054000e+10, 0.97, 1586.04])
|
|
|
|
# Reaction 336
|
|
reaction('nc3h7 + h2o => c3h8 + oh', [6.931000e+09, 0.97, 23250.0])
|
|
|
|
# Reaction 337
|
|
reaction('c3h8 + oh => ic3h7 + h2o', [4.670000e+07, 1.61, -34.89])
|
|
|
|
# Reaction 338
|
|
reaction('ic3h7 + h2o => c3h8 + oh', [3.071000e+07, 1.61, 21630.02])
|
|
|
|
# Reaction 339
|
|
reaction('c3h8 + ho2 => ic3h7 + h2o2', [5.600000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 340
|
|
reaction('ic3h7 + h2o2 => c3h8 + ho2', [4.160000e+11, 0.0, 7425.91])
|
|
|
|
# Reaction 341
|
|
reaction('c3h8 + ho2 => nc3h7 + h2o2', [1.680000e+13, 0.0, 20429.97])
|
|
|
|
# Reaction 342
|
|
reaction('nc3h7 + h2o2 => c3h8 + ho2', [2.330000e+12, 0.0, 9826.0])
|
|
|
|
# Reaction 343
|
|
reaction('ch3 + c3h8 => ch4 + ic3h7', [3.980000e+11, 0.0, 9500.0])
|
|
|
|
# Reaction 344
|
|
reaction('ch4 + ic3h7 => ch3 + c3h8', [1.585000e+12, 0.0, 16479.92])
|
|
|
|
# Reaction 345
|
|
reaction('ch3 + c3h8 => ch4 + nc3h7', [1.290000e+12, 0.0, 11599.9])
|
|
|
|
# Reaction 346
|
|
reaction('ch4 + nc3h7 => ch3 + c3h8', [5.129000e+12, 0.0, 18580.07])
|
|
|
|
# Reaction 347
|
|
reaction('ic3h7 + c3h8 => nc3h7 + c3h8', [3.000000e+10, 0.0, 12900.1])
|
|
|
|
# Reaction 348
|
|
reaction('nc3h7 + c3h8 => ic3h7 + c3h8', [3.000000e+10, 0.0, 12900.1])
|
|
|
|
# Reaction 349
|
|
reaction('c2h3 + c3h8 => c2h4 + ic3h7', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 350
|
|
reaction('c2h4 + ic3h7 => c2h3 + c3h8', [1.310000e+11, 0.0, 17799.95])
|
|
|
|
# Reaction 351
|
|
reaction('c2h3 + c3h8 => c2h4 + nc3h7', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 352
|
|
reaction('c2h4 + nc3h7 => c2h3 + c3h8', [1.310000e+11, 0.0, 17799.95])
|
|
|
|
# Reaction 353
|
|
reaction('c2h5 + c3h8 => c2h6 + ic3h7', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 354
|
|
reaction('c2h6 + ic3h7 => c2h5 + c3h8', [3.630000e+10, 0.0, 9934.03])
|
|
|
|
# Reaction 355
|
|
reaction('c2h5 + c3h8 => c2h6 + nc3h7', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 356
|
|
reaction('c2h6 + nc3h7 => c2h5 + c3h8', [3.630000e+10, 0.0, 9934.03])
|
|
|
|
# Reaction 357
|
|
reaction('c3h8 + c3h5-a => ic3h7 + c3h6', [2.000000e+11, 0.0, 16099.9])
|
|
|
|
# Reaction 358
|
|
reaction('ic3h7 + c3h6 => c3h8 + c3h5-a', [3.980000e+10, 0.0, 9700.05])
|
|
|
|
# Reaction 359
|
|
reaction('c3h8 + c3h5-a => nc3h7 + c3h6', [7.940000e+11, 0.0, 20500.0])
|
|
|
|
# Reaction 360
|
|
reaction('nc3h7 + c3h6 => c3h8 + c3h5-a', [1.000000e+11, 0.0, 9799.95])
|
|
|
|
# Reaction 361
|
|
reaction('c3h8 + ch3o => nc3h7 + ch3oh', [3.000000e+11, 0.0, 7000.0])
|
|
|
|
# Reaction 362
|
|
reaction('nc3h7 + ch3oh => c3h8 + ch3o', [1.220000e+10, 0.0, 9181.88])
|
|
|
|
# Reaction 363
|
|
reaction('c3h8 + ch3o => ic3h7 + ch3oh', [3.000000e+11, 0.0, 7000.0])
|
|
|
|
# Reaction 364
|
|
reaction('ic3h7 + ch3oh => c3h8 + ch3o', [1.220000e+10, 0.0, 9181.88])
|
|
|
|
# Reaction 365
|
|
reaction('c5h9 => c3h5-a + c2h4', [2.500000e+13, 0.0, 45000.0])
|
|
|
|
# Reaction 366
|
|
reaction('c3h5-a + c2h4 => c5h9', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 367
|
|
reaction('c5h9 => c2h3 + c3h6', [2.500000e+13, 0.0, 30000.0])
|
|
|
|
# Reaction 368
|
|
reaction('c2h3 + c3h6 => c5h9', [1.500000e+10, 0.0, 7400.1])
|
|
|
|
# Reaction 369
|
|
reaction('c4h7 => c4h6 + h', [1.200000e+14, 0.0, 49299.95])
|
|
|
|
# Reaction 370
|
|
reaction('c4h6 + h => c4h7', [4.000000e+13, 0.0, 1299.95])
|
|
|
|
# Reaction 371
|
|
reaction('c4h7 => c2h4 + c2h3', [1.000000e+11, 0.0, 37000.0])
|
|
|
|
# Reaction 372
|
|
reaction('c2h4 + c2h3 => c4h7', [5.000000e+10, 0.0, 7000.0])
|
|
|
|
# Reaction 373
|
|
reaction('c4h8-1 + c4h6 => 2 c4h7', [2.350000e+12, 0.0, 46719.89])
|
|
|
|
# Reaction 374
|
|
reaction('2 c4h7 => c4h8-1 + c4h6', [1.600000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 375
|
|
reaction('c4h7 + ch3 => c4h6 + ch4', [8.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 376
|
|
reaction('c4h6 + ch4 => c4h7 + ch3', [7.050000e+13, 0.0, 57280.11])
|
|
|
|
# Reaction 377
|
|
reaction('c3h5-a + c4h7 => c3h6 + c4h6', [6.310000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 378
|
|
reaction('c3h6 + c4h6 => c3h5-a + c4h7', [1.000000e+10, 0.0, 50000.0])
|
|
|
|
# Reaction 379
|
|
reaction('c4h7 + o2 => c4h6 + ho2', [1.000000e+09, 0.0, 0.0])
|
|
|
|
# Reaction 380
|
|
reaction('c4h6 + ho2 => c4h7 + o2', [1.000000e+11, 0.0, 17000.0])
|
|
|
|
# Reaction 381
|
|
reaction('h + c4h7 => c4h6 + h2', [3.160000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 382
|
|
reaction('c4h6 + h2 => h + c4h7', [1.066000e+13, 0.0, 56809.99])
|
|
|
|
# Reaction 383
|
|
reaction('c2h5 + c4h7 => c4h6 + c2h6', [3.980000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 384
|
|
reaction('c4h6 + c2h6 => c2h5 + c4h7', [3.211000e+12, 0.0, 49840.11])
|
|
|
|
# Reaction 385
|
|
reaction('c2h5 + c4h7 => c2h4 + c4h8-1', [9.240000e+06, 1.5, -962.0])
|
|
|
|
# Reaction 386
|
|
reaction('c2h4 + c4h8-1 => c2h5 + c4h7', [7.807000e+02, 2.91, 50960.09])
|
|
|
|
# Reaction 387
|
|
reaction('c2h3 + c4h7 => c2h4 + c4h6', [3.980000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 388
|
|
reaction('c2h4 + c4h6 => c2h3 + c4h7', [1.157000e+13, 0.0, 57710.09])
|
|
|
|
# Reaction 389
|
|
reaction('c4h8-1 => c3h5-a + ch3', [5.000000e+15, 0.0, 71000.0])
|
|
|
|
# Reaction 390
|
|
reaction('c3h5-a + ch3 => c4h8-1', [5.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 391
|
|
reaction('c4h8-1 => c2h3 + c2h5', [1.000000e+19, -1.0, 96770.08])
|
|
|
|
# Reaction 392
|
|
reaction('c2h3 + c2h5 => c4h8-1', [9.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 393
|
|
reaction('c4h8-1 => h + c4h7', [4.107000e+18, -1.0, 97349.9])
|
|
|
|
# Reaction 394
|
|
reaction('h + c4h7 => c4h8-1', [5.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 395
|
|
reaction('c4h8-1 + ch3 => c4h7 + ch4', [1.000000e+11, 0.0, 7299.95])
|
|
|
|
# Reaction 396
|
|
reaction('c4h7 + ch4 => c4h8-1 + ch3', [6.000000e+11, 0.0, 17859.94])
|
|
|
|
# Reaction 397
|
|
reaction('c4h8-1 + h => c4h7 + h2', [5.000000e+13, 0.0, 3900.1])
|
|
|
|
# Reaction 398
|
|
reaction('c4h7 + h2 => c4h8-1 + h', [4.000000e+13, 0.0, 25200.05])
|
|
|
|
# Reaction 399
|
|
reaction('c4h8-1 + oh => c4h7 + h2o', [2.250000e+13, 0.0, 2217.02])
|
|
|
|
# Reaction 400
|
|
reaction('c4h7 + h2o => c4h8-1 + oh', [4.772000e+12, 0.0, 26469.89])
|
|
|
|
# Reaction 401
|
|
reaction('c4h8-1 + c3h5-a => c4h7 + c3h6', [7.900000e+10, 0.0, 12400.1])
|
|
|
|
# Reaction 402
|
|
reaction('c4h7 + c3h6 => c4h8-1 + c3h5-a', [1.000000e+11, 0.0, 17500.0])
|
|
|
|
# Reaction 403
|
|
reaction('c4h8-1 + ho2 => c4h7 + h2o2', [1.400000e+12, 0.0, 14900.1])
|
|
|
|
# Reaction 404
|
|
reaction('c4h7 + h2o2 => c4h8-1 + ho2', [3.160000e+11, 0.0, 13000.0])
|
|
|
|
# Reaction 405
|
|
reaction('c4h8-1 + o2 => c4h7 + ho2', [2.700000e+13, 0.0, 33200.05])
|
|
|
|
# Reaction 406
|
|
reaction('c4h7 + ho2 => c4h8-1 + o2', [3.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 407
|
|
reaction('sc4h9 => c3h6 + ch3', [7.367000e+17, -1.4, 30229.92])
|
|
|
|
# Reaction 408
|
|
reaction('c3h6 + ch3 => sc4h9', [3.300000e+11, 0.0, 7200.05])
|
|
|
|
# Reaction 409
|
|
reaction('sc4h9 => c4h8-1 + h', [3.586000e+20, -2.1, 40969.89])
|
|
|
|
# Reaction 410
|
|
reaction('c4h8-1 + h => sc4h9', [1.000000e+13, 0.0, 1200.05])
|
|
|
|
# Reaction 411
|
|
reaction('sc4h9 + o2 => c4h8-1 + ho2', [4.500000e-19, 0.0, 5020.08])
|
|
|
|
# Reaction 412
|
|
reaction('c4h8-1 + ho2 => sc4h9 + o2', [2.000000e-19, 0.0, 17500.0])
|
|
|
|
# Reaction 413
|
|
reaction('pc4h9 => c2h5 + c2h4', [7.497000e+17, -1.41, 29580.07])
|
|
|
|
# Reaction 414
|
|
reaction('c2h5 + c2h4 => pc4h9', [3.300000e+11, 0.0, 7200.05])
|
|
|
|
# Reaction 415
|
|
reaction('pc4h9 => c4h8-1 + h', [1.159000e+17, -1.17, 38159.89])
|
|
|
|
# Reaction 416
|
|
reaction('c4h8-1 + h => pc4h9', [1.000000e+13, 0.0, 2900.1])
|
|
|
|
# Reaction 417
|
|
reaction('pc4h9 + o2 => c4h8-1 + ho2', [3.000000e-19, 0.0, 3000.0])
|
|
|
|
# Reaction 418
|
|
reaction('c4h8-1 + ho2 => pc4h9 + o2', [2.000000e-19, 0.0, 17500.0])
|
|
|
|
# Reaction 419
|
|
reaction('ch3coch3 => ch3co + ch3', [1.219000e+23, -1.99, 83950.05])
|
|
|
|
# Reaction 420
|
|
reaction('ch3co + ch3 => ch3coch3', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 421
|
|
reaction('ch3coch3 + oh => ch3coch2 + h2o', [1.054000e+10, 0.97, 1586.04])
|
|
|
|
# Reaction 422
|
|
reaction('ch3coch2 + h2o => ch3coch3 + oh', [6.931000e+09, 0.97, 23250.0])
|
|
|
|
# Reaction 423
|
|
reaction('ch3coch3 + h => ch3coch2 + h2', [5.628000e+07, 2.0, 7700.05])
|
|
|
|
# Reaction 424
|
|
reaction('ch3coch2 + h2 => ch3coch3 + h', [9.000000e+12, 0.0, 145000.0])
|
|
|
|
# Reaction 425
|
|
reaction('ch3coch3 + o => ch3coch2 + oh', [1.130000e+14, 0.0, 7849.9])
|
|
|
|
# Reaction 426
|
|
reaction('ch3coch2 + oh => ch3coch3 + o', [7.500000e+12, 0.0, 12299.95])
|
|
|
|
# Reaction 427
|
|
reaction('ch3coch3 + ch3 => ch3coch2 + ch4', [3.960000e+11, 0.0, 9783.94])
|
|
|
|
# Reaction 428
|
|
reaction('ch3coch2 + ch4 => ch3coch3 + ch3', [5.378000e+08, 0.86, 17539.91])
|
|
|
|
# Reaction 429
|
|
reaction('ch3coch3 + ch3o => ch3coch2 + ch3oh', [1.000000e+11, 0.0, 7000.0])
|
|
|
|
# Reaction 430
|
|
reaction('ch3coch2 + ch3oh => ch3coch3 + ch3o', [1.000000e+10, 0.0, 9000.0])
|
|
|
|
# Reaction 431
|
|
reaction('ch3coch2 => ch2co + ch3', [1.000000e+14, 0.0, 31000.0])
|
|
|
|
# Reaction 432
|
|
reaction('ch2co + ch3 => ch3coch2', [1.000000e+11, 0.0, 6000.0])
|
|
|
|
# Reaction 433
|
|
reaction('ch3coch3 + o2 => ch3coch2 + ho2', [1.200000e+14, 0.0, 46000.0])
|
|
|
|
# Reaction 434
|
|
reaction('ch3coch2 + ho2 => ch3coch3 + o2', [2.000000e+12, 0.0, 2000.0])
|
|
|
|
# Reaction 435
|
|
reaction('ch3coch3 + ho2 => ch3coch2 + h2o2', [1.700000e+13, 0.0, 20460.09])
|
|
|
|
# Reaction 436
|
|
reaction('ch3coch2 + h2o2 => ch3coch3 + ho2', [1.000000e+11, 0.0, 8000.0])
|
|
|
|
# Reaction 437
|
|
reaction('c2h5co => c2h5 + co', [1.834000e+15, -0.73, 12909.89])
|
|
|
|
# Reaction 438
|
|
reaction('c2h5 + co => c2h5co', [1.510000e+11, 0.0, 4809.99])
|
|
|
|
# Reaction 439
|
|
reaction('c2h5cho + h => c2h5co + h2', [3.980000e+13, 0.0, 4200.05])
|
|
|
|
# Reaction 440
|
|
reaction('c2h5co + h2 => c2h5cho + h', [1.778000e+13, 0.0, 23669.93])
|
|
|
|
# Reaction 441
|
|
reaction('c2h5cho + o => c2h5co + oh', [5.010000e+12, 0.0, 1789.91])
|
|
|
|
# Reaction 442
|
|
reaction('c2h5co + oh => c2h5cho + o', [1.000000e+12, 0.0, 19159.89])
|
|
|
|
# Reaction 443
|
|
reaction('c2h5cho + oh => c2h5co + h2o', [2.690000e+10, 0.76, -340.11])
|
|
|
|
# Reaction 444
|
|
reaction('c2h5co + h2o => c2h5cho + oh', [1.705000e+10, 0.76, 31200.05])
|
|
|
|
# Reaction 445
|
|
reaction('c2h5cho + ch3 => c2h5co + ch4', [2.608000e+06, 1.78, 5911.09])
|
|
|
|
# Reaction 446
|
|
reaction('c2h5co + ch4 => c2h5cho + ch3', [9.972000e+06, 1.78, 22780.11])
|
|
|
|
# Reaction 447
|
|
reaction('c2h5cho + ho2 => c2h5co + h2o2', [1.000000e+12, 0.0, 11000.0])
|
|
|
|
# Reaction 448
|
|
reaction('c2h5co + h2o2 => c2h5cho + ho2', [1.000000e+12, 0.0, 14000.0])
|
|
|
|
# Reaction 449
|
|
reaction('c2h5cho + ch3o => c2h5co + ch3oh', [1.000000e+12, 0.0, 3299.95])
|
|
|
|
# Reaction 450
|
|
reaction('c2h5co + ch3oh => c2h5cho + ch3o', [3.160000e+11, 0.0, 18000.0])
|
|
|
|
# Reaction 451
|
|
reaction('c2h5cho + c2h5 => c2h5co + c2h6', [1.000000e+12, 0.0, 8000.0])
|
|
|
|
# Reaction 452
|
|
reaction('c2h5co + c2h6 => c2h5cho + c2h5', [1.585000e+13, 0.0, 28000.0])
|
|
|
|
# Reaction 453
|
|
reaction('c2h5cho => c2h5 + hco', [9.850000e+18, -0.73, 81710.09])
|
|
|
|
# Reaction 454
|
|
reaction('c2h5 + hco => c2h5cho', [1.810000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 455
|
|
reaction('c2h5cho + o2 => c2h5co + ho2', [2.000000e+13, 0.5, 42200.05])
|
|
|
|
# Reaction 456
|
|
reaction('c2h5co + ho2 => c2h5cho + o2', [1.909000e+14, 0.5, 3090.11])
|
|
|
|
# Reaction 457
|
|
reaction('c2h5cho + nc3h7 => c2h5co + c3h8', [1.700000e+12, 0.0, 8440.01])
|
|
|
|
# Reaction 458
|
|
reaction('c2h5co + c3h8 => c2h5cho + nc3h7', [1.900000e+14, 0.0, 18789.91])
|
|
|
|
# Reaction 459
|
|
reaction('c2h5cho + ic3h7 => c2h5co + c3h8', [1.700000e+12, 0.0, 8440.01])
|
|
|
|
# Reaction 460
|
|
reaction('c2h5co + c3h8 => c2h5cho + ic3h7', [1.900000e+14, 0.0, 18789.91])
|
|
|
|
# Reaction 461
|
|
reaction('c2h5cho + c2h3 => c2h5co + c2h4', [1.700000e+12, 0.0, 8440.01])
|
|
|
|
# Reaction 462
|
|
reaction('c2h5co + c2h4 => c2h5cho + c2h3', [2.488000e+14, 0.0, 26190.01])
|
|
|
|
# Reaction 463
|
|
reaction('c2h5cho + c3h5-a => c2h5co + c3h6', [1.700000e+12, 0.0, 8440.01])
|
|
|
|
# Reaction 464
|
|
reaction('c2h5co + c3h6 => c2h5cho + c3h5-a', [1.000000e+13, 0.0, 28000.0])
|
|
|
|
# Reaction 465
|
|
reaction('c5h10-1 => c2h5 + c3h5-a', [1.000000e+16, 0.0, 71400.1])
|
|
|
|
# Reaction 466
|
|
reaction('c2h5 + c3h5-a => c5h10-1', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 467
|
|
reaction('c5h10-1 + h => c5h9 + h2', [2.800000e+13, 0.0, 4000.0])
|
|
|
|
# Reaction 468
|
|
reaction('c5h9 + h2 => c5h10-1 + h', [1.000000e+12, 0.0, 14000.0])
|
|
|
|
# Reaction 469
|
|
reaction('c5h10-1 + o => c5h9 + oh', [2.540000e+05, 2.56, -1130.02])
|
|
|
|
# Reaction 470
|
|
reaction('c5h9 + oh => c5h10-1 + o', [7.000000e+11, 0.0, 29900.1])
|
|
|
|
# Reaction 471
|
|
reaction('c5h10-1 + o => pc4h9 + hco', [1.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 472
|
|
reaction('pc4h9 + hco => c5h10-1 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 473
|
|
reaction('c5h10-1 + o => nc3h7 + ch3co', [1.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 474
|
|
reaction('nc3h7 + ch3co => c5h10-1 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 475
|
|
reaction('c5h10-1 + oh => c5h9 + h2o', [6.800000e+13, 0.0, 3059.99])
|
|
|
|
# Reaction 476
|
|
reaction('c5h9 + h2o => c5h10-1 + oh', [5.000000e+12, 0.0, 26500.0])
|
|
|
|
# Reaction 477
|
|
reaction('c5h10-1 + oh => pc4h9 + ch2o', [1.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 478
|
|
reaction('pc4h9 + ch2o => c5h10-1 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 479
|
|
reaction('c5h10-1 + oh => nc3h7 + ch3cho', [1.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 480
|
|
reaction('nc3h7 + ch3cho => c5h10-1 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 481
|
|
reaction('c5h10-1 + ch3 => c5h9 + ch4', [1.000000e+11, 0.0, 7299.95])
|
|
|
|
# Reaction 482
|
|
reaction('c5h9 + ch4 => c5h10-1 + ch3', [6.000000e+11, 0.0, 17900.1])
|
|
|
|
# Reaction 483
|
|
reaction('h2o2 + h => h2 + ho2', [4.820000e+13, 0.0, 7950.05])
|
|
|
|
# Reaction 484
|
|
reaction('h2 + ho2 => h2o2 + h', [1.875000e+12, 0.33, 24260.04])
|
|
|
|
# Reaction 485
|
|
reaction('hco + o => co2 + h', [3.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 486
|
|
reaction('co2 + h => hco + o', [9.677000e+15, 0.0, 110200.05])
|
|
|
|
# Reaction 487
|
|
three_body_reaction('ch3 + M => ch2 + h + M', [1.968000e+16, 0.0, 92520.08])
|
|
|
|
# Reaction 488
|
|
three_body_reaction('ch2 + h + M => ch3 + M', [2.107000e+11, 1.0, -19619.98])
|
|
|
|
# Reaction 489
|
|
reaction('ch3 + h => ch2 + h2', [9.000000e+13, 0.0, 15099.9])
|
|
|
|
# Reaction 490
|
|
reaction('ch2 + h2 => ch3 + h', [1.818000e+13, 0.0, 10400.1])
|
|
|
|
# Reaction 491
|
|
reaction('ch3 + oh => ch2 + h2o', [3.000000e+06, 2.0, 2500.0])
|
|
|
|
# Reaction 492
|
|
reaction('ch2 + h2o => ch3 + oh', [2.623000e+06, 2.0, 12960.09])
|
|
|
|
# Reaction 493
|
|
reaction('ch + ch4 => c2h4 + h', [6.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 494
|
|
reaction('c2h4 + h => ch + ch4', [3.573000e+14, 0.0, 55479.92])
|
|
|
|
# Reaction 495
|
|
falloff_reaction('ch3oh (+ M) => ch2oh + h (+ M)',
|
|
kf=[2.690000e+16, -0.08, 98940.01],
|
|
kf0=[2.340000e+40, -6.33, 103099.9],
|
|
falloff=Troe(A=0.773, T3=693.0, T1=5333.0, T2=1e+100))
|
|
|
|
# Reaction 496
|
|
falloff_reaction('ch2oh + h (+ M) => ch3oh (+ M)',
|
|
kf=[1.528000e+06, 2.58, -342.02],
|
|
kf0=[1.329000e+30, -3.67, 3817.88],
|
|
falloff=Troe(A=0.773, T3=693.0, T1=5333.0, T2=1e+100))
|
|
|
|
# Reaction 497
|
|
reaction('ch3co + h => ch2co + h2', [2.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 498
|
|
reaction('ch2co + h2 => ch3co + h', [7.270000e+09, 0.0, 83039.91])
|
|
|
|
# Reaction 499
|
|
reaction('ch3co + o => ch2co + oh', [2.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 500
|
|
reaction('ch2co + oh => ch3co + o', [7.270000e+09, 0.0, 83039.91])
|
|
|
|
# Reaction 501
|
|
reaction('ch3co + ch3 => ch2co + ch4', [5.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 502
|
|
reaction('ch2co + ch4 => ch3co + ch3', [7.270000e+09, 0.0, 83039.91])
|
|
|
|
# Reaction 503
|
|
reaction('c2h4 + o => ch2cho + h', [3.390000e+06, 1.88, 179.02])
|
|
|
|
# Reaction 504
|
|
reaction('ch2cho + h => c2h4 + o', [9.481000e+06, 1.79, 16049.95])
|
|
|
|
# Reaction 505
|
|
reaction('c2h5 + o => ch3cho + h', [5.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 506
|
|
reaction('ch3cho + h => c2h5 + o', [9.000000e+13, 0.0, 72679.97])
|
|
|
|
# Reaction 507
|
|
reaction('c2h6 + ch => c2h5 + ch2', [1.100000e+14, 0.0, -260.04])
|
|
|
|
# Reaction 508
|
|
reaction('c2h5 + ch2 => c2h6 + ch', [3.829000e+10, 0.56, 440.01])
|
|
|
|
# Reaction 509
|
|
reaction('ch2oh + ch2o => ch3oh + hco', [1.292000e-01, 4.56, 6596.08])
|
|
|
|
# Reaction 510
|
|
reaction('ch3oh + hco => ch2oh + ch2o', [9.630000e+03, 2.9, 13109.94])
|
|
|
|
# Reaction 511
|
|
reaction('c3h6 + o2 => c3h5-t + ho2', [1.400000e+12, 0.0, 60700.05])
|
|
|
|
# Reaction 512
|
|
reaction('c3h5-t + ho2 => c3h6 + o2', [1.734000e+07, 1.01, -1074.09])
|
|
|
|
# Reaction 513
|
|
reaction('c2h3 + c2h4 => c4h6 + h', [5.000000e+11, 0.0, 7299.95])
|
|
|
|
# Reaction 514
|
|
reaction('c4h6 + h => c2h3 + c2h4', [1.000000e+13, 0.0, 4700.05])
|
|
|
|
# Reaction 515
|
|
reaction('c5h11-1 => c2h4 + nc3h7', [7.972000e+17, -1.44, 29789.91])
|
|
|
|
# Reaction 516
|
|
reaction('c2h4 + nc3h7 => c5h11-1', [3.300000e+11, 0.0, 7200.05])
|
|
|
|
# Reaction 517
|
|
reaction('c5h11-1 => h + c5h10-1', [3.483000e+15, -0.66, 37880.02])
|
|
|
|
# Reaction 518
|
|
reaction('h + c5h10-1 => c5h11-1', [1.000000e+13, 0.0, 2900.1])
|
|
|
|
# Reaction 519
|
|
reaction('c5h11-1 + o2 => c5h10-1 + ho2', [3.000000e-19, 0.0, 3000.0])
|
|
|
|
# Reaction 520
|
|
reaction('c5h10-1 + ho2 => c5h11-1 + o2', [2.000000e-19, 0.0, 17500.0])
|
|
|
|
# Reaction 521
|
|
reaction('c5h11-1 => c5h11-2', [3.875000e+09, 0.35, 19760.04])
|
|
|
|
# Reaction 522
|
|
reaction('c5h11-2 => c5h11-1', [1.830000e+13, -0.63, 24359.94])
|
|
|
|
# Reaction 523
|
|
reaction('c5h11-2 => c3h6 + c2h5', [3.026000e+21, -2.26, 30960.09])
|
|
|
|
# Reaction 524
|
|
reaction('c3h6 + c2h5 => c5h11-2', [3.300000e+11, 0.0, 7200.05])
|
|
|
|
# Reaction 525
|
|
reaction('c5h11-2 => c5h10-1 + h', [1.645000e+19, -1.64, 40780.11])
|
|
|
|
# Reaction 526
|
|
reaction('c5h10-1 + h => c5h11-2', [1.000000e+13, 0.0, 1200.05])
|
|
|
|
# Reaction 527
|
|
reaction('c5h11-2 + o2 => c5h10-1 + ho2', [4.500000e-19, 0.0, 5020.08])
|
|
|
|
# Reaction 528
|
|
reaction('c5h10-1 + ho2 => c5h11-2 + o2', [2.000000e-19, 0.0, 17500.0])
|
|
|
|
# Reaction 529
|
|
three_body_reaction('c2h5o + M => ch3 + ch2o + M', [1.350000e+38, -6.96, 23799.95])
|
|
|
|
# Reaction 530
|
|
three_body_reaction('ch3 + ch2o + M => c2h5o + M', [6.442000e+36, -6.99, 16849.9])
|
|
|
|
# Reaction 531
|
|
reaction('c2h5o + o2 => ch3cho + ho2', [4.280000e+10, 0.0, 1097.04])
|
|
|
|
# Reaction 532
|
|
reaction('ch3cho + ho2 => c2h5o + o2', [3.872000e+08, 0.44, 31880.02])
|
|
|
|
# Reaction 533
|
|
reaction('h2o2 + o2 => 2 ho2', [1.839000e+14, -0.66, 39549.95],
|
|
options='duplicate')
|
|
|
|
# Reaction 534
|
|
reaction('2 ho2 => h2o2 + o2', [1.300000e+11, 0.0, -1629.06],
|
|
options='duplicate')
|
|
|
|
# Reaction 535
|
|
reaction('c2h3 + o2 => ch2cho + o', [3.500000e+14, -0.61, 5260.04])
|
|
|
|
# Reaction 536
|
|
reaction('ch2cho + o => c2h3 + o2', [2.589000e+12, 0.12, 6458.89])
|
|
|
|
# Reaction 537
|
|
reaction('c2h5o2 => c2h5 + o2', [4.930000e+50, -11.5, 42250.0])
|
|
|
|
# Reaction 538
|
|
reaction('c2h5 + o2 => c2h5o2', [1.090000e+48, -11.54, 10219.89])
|
|
|
|
# Reaction 539
|
|
three_body_reaction('ch3o2 + M => ch3 + o2 + M', [4.343000e+27, -3.42, 30469.89])
|
|
|
|
# Reaction 540
|
|
three_body_reaction('ch3 + o2 + M => ch3o2 + M', [5.440000e+25, -3.3, 0.0])
|
|
|
|
# Reaction 541
|
|
reaction('ch3o2h => ch3o + oh', [6.310000e+14, 0.0, 42299.95])
|
|
|
|
# Reaction 542
|
|
reaction('ch3o + oh => ch3o2h', [1.166000e+11, 0.6, -1771.03])
|
|
|
|
# Reaction 543
|
|
reaction('c3h2 + o2 => hcco + co + h', [5.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 544
|
|
reaction('hcco + co + h => c3h2 + o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 545
|
|
reaction('ch3o2 + ch2o => ch3o2h + hco', [1.990000e+12, 0.0, 11669.93])
|
|
|
|
# Reaction 546
|
|
reaction('ch3o2h + hco => ch3o2 + ch2o', [8.504000e+12, -0.5, 7009.08])
|
|
|
|
# Reaction 547
|
|
reaction('c2h4 + ch3o2 => c2h3 + ch3o2h', [1.130000e+13, 0.0, 30429.97])
|
|
|
|
# Reaction 548
|
|
reaction('c2h3 + ch3o2h => c2h4 + ch3o2', [3.000000e+12, 0.0, 11500.0])
|
|
|
|
# Reaction 549
|
|
reaction('ch4 + ch3o2 => ch3 + ch3o2h', [1.810000e+11, 0.0, 18479.92])
|
|
|
|
# Reaction 550
|
|
reaction('ch3 + ch3o2h => ch4 + ch3o2', [3.708000e+11, -0.5, -1326.96])
|
|
|
|
# Reaction 551
|
|
reaction('ch3oh + ch3o2 => ch2oh + ch3o2h', [1.810000e+12, 0.0, 13710.09])
|
|
|
|
# Reaction 552
|
|
reaction('ch2oh + ch3o2h => ch3oh + ch3o2', [1.038000e+08, 1.16, 2542.07])
|
|
|
|
# Reaction 553
|
|
reaction('c2h5 + ho2 => c2h5o + oh', [3.200000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 554
|
|
reaction('c2h5o + oh => c2h5 + ho2', [3.075000e+15, -0.32, 27489.96])
|
|
|
|
# Reaction 555
|
|
reaction('ch3o2 + ch3 => 2 ch3o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 556
|
|
reaction('2 ch3o => ch3o2 + ch3', [2.971000e+16, -0.93, 28309.99])
|
|
|
|
# Reaction 557
|
|
reaction('ch3o2 + c2h5 => ch3o + c2h5o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 558
|
|
reaction('ch3o + c2h5o => ch3o2 + c2h5', [6.569000e+16, -0.9, 31260.04])
|
|
|
|
# Reaction 559
|
|
reaction('ch3o2 + ho2 => ch3o2h + o2', [1.750000e+10, 0.0, -3275.1])
|
|
|
|
# Reaction 560
|
|
reaction('ch3o2h + o2 => ch3o2 + ho2', [5.156000e+13, -0.83, 34880.02])
|
|
|
|
# Reaction 561
|
|
reaction('h2o2 + oh => h2o + ho2', [5.800000e+14, 0.0, 9559.99],
|
|
options='duplicate')
|
|
|
|
# Reaction 562
|
|
reaction('h2o + ho2 => h2o2 + oh', [9.771000e+13, 0.33, 41020.08],
|
|
options='duplicate')
|
|
|
|
# Reaction 563
|
|
reaction('2 ch3o2 => ch2o + ch3oh + o2', [3.110000e+14, -1.61, -1050.91])
|
|
|
|
# Reaction 564
|
|
reaction('ch2o + ch3oh + o2 => 2 ch3o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 565
|
|
reaction('2 ch3o2 => o2 + 2 ch3o', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 566
|
|
reaction('o2 + 2 ch3o => 2 ch3o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 567
|
|
reaction('c2h6 + ch3o2 => c2h5 + ch3o2h', [1.700000e+13, 0.0, 20460.09])
|
|
|
|
# Reaction 568
|
|
reaction('c2h5 + ch3o2h => c2h6 + ch3o2', [7.500000e+11, 0.0, 1280.11])
|
|
|
|
# Reaction 569
|
|
reaction('o2c2h4oh => pc2h4oh + o2', [3.900000e+16, -1.0, 30000.0])
|
|
|
|
# Reaction 570
|
|
reaction('pc2h4oh + o2 => o2c2h4oh', [1.200000e+11, 0.0, -1099.9])
|
|
|
|
# Reaction 571
|
|
reaction('o2c2h4oh => oh + 2 ch2o', [1.250000e+10, 0.0, 18900.1])
|
|
|
|
# Reaction 572
|
|
reaction('oh + 2 ch2o => o2c2h4oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 573
|
|
reaction('c2h5o2 => c2h4o2h', [5.640000e+47, -11.44, 37320.03])
|
|
|
|
# Reaction 574
|
|
reaction('c2h4o2h => c2h5o2', [6.990000e+48, -12.22, 25849.9])
|
|
|
|
# Reaction 575
|
|
three_body_reaction('c2h5o + M => ch3cho + h + M', [1.160000e+35, -5.89, 25270.08])
|
|
|
|
# Reaction 576
|
|
three_body_reaction('ch3cho + h + M => c2h5o + M', [3.063000e+30, -4.78, 6099.9])
|
|
|
|
# Reaction 577
|
|
reaction('ch3o2 + ch3cho => ch3o2h + ch3co', [3.010000e+12, 0.0, 11929.97])
|
|
|
|
# Reaction 578
|
|
reaction('ch3o2h + ch3co => ch3o2 + ch3cho', [2.519000e+13, -0.51, 8990.92])
|
|
|
|
# Reaction 579
|
|
reaction('c2h3co => c2h3 + co', [2.040000e+14, -0.4, 31450.05])
|
|
|
|
# Reaction 580
|
|
reaction('c2h3 + co => c2h3co', [1.510000e+11, 0.0, 4809.99])
|
|
|
|
# Reaction 581
|
|
reaction('c2h3cho + oh => c2h3co + h2o', [9.240000e+06, 1.5, -962.0])
|
|
|
|
# Reaction 582
|
|
reaction('c2h3co + h2o => c2h3cho + oh', [1.439000e+07, 1.53, 36450.05])
|
|
|
|
# Reaction 583
|
|
reaction('c2h3cho + h => c2h3co + h2', [1.340000e+13, 0.0, 3299.95])
|
|
|
|
# Reaction 584
|
|
reaction('c2h3co + h2 => c2h3cho + h', [4.820000e+12, 0.03, 25559.99])
|
|
|
|
# Reaction 585
|
|
reaction('c2h3cho + o => c2h3co + oh', [5.940000e+12, 0.0, 1868.07])
|
|
|
|
# Reaction 586
|
|
reaction('c2h3co + oh => c2h3cho + o', [9.384000e+11, 0.03, 22030.11])
|
|
|
|
# Reaction 587
|
|
reaction('c2h3cho + ho2 => c2h3co + h2o2', [3.010000e+12, 0.0, 11929.97])
|
|
|
|
# Reaction 588
|
|
reaction('c2h3co + h2o2 => c2h3cho + ho2', [2.783000e+13, -0.3, 17880.02])
|
|
|
|
# Reaction 589
|
|
reaction('c2h3cho + ch3 => c2h3co + ch4', [2.608000e+06, 1.78, 5911.09])
|
|
|
|
# Reaction 590
|
|
reaction('c2h3co + ch4 => c2h3cho + ch3', [2.451000e+07, 1.81, 28650.1])
|
|
|
|
# Reaction 591
|
|
reaction('c2h3cho + ch3o2 => c2h3co + ch3o2h', [3.010000e+12, 0.0, 11929.97])
|
|
|
|
# Reaction 592
|
|
reaction('c2h3co + ch3o2h => c2h3cho + ch3o2', [5.794000e+13, -0.47, 14859.94])
|
|
|
|
# Reaction 593
|
|
reaction('c3h5o => c2h3cho + h', [1.000000e+14, 0.0, 29099.9])
|
|
|
|
# Reaction 594
|
|
reaction('c2h3cho + h => c3h5o', [7.714000e+11, 0.48, 17750.0])
|
|
|
|
# Reaction 595
|
|
reaction('c3h5o => c2h3 + ch2o', [2.028000e+12, 0.09, 23559.99])
|
|
|
|
# Reaction 596
|
|
reaction('c2h3 + ch2o => c3h5o', [1.500000e+11, 0.0, 10599.9])
|
|
|
|
# Reaction 597
|
|
reaction('c3h5o + o2 => c2h3cho + ho2', [1.000000e+12, 0.0, 6000.0])
|
|
|
|
# Reaction 598
|
|
reaction('c2h3cho + ho2 => c3h5o + o2', [1.288000e+11, 0.0, 32000.0])
|
|
|
|
# Reaction 599
|
|
reaction('c3h5-a + ho2 => c3h5o + oh', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 600
|
|
reaction('c3h5o + oh => c3h5-a + ho2', [2.041000e+13, -0.16, 12260.04])
|
|
|
|
# Reaction 601
|
|
reaction('c3h5-a + ch3o2 => c3h5o + ch3o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 602
|
|
reaction('c3h5o + ch3o => c3h5-a + ch3o2', [1.994000e+15, -0.74, 17020.08])
|
|
|
|
# Reaction 603
|
|
reaction('c3h6 + ho2 => c3h6o1-2 + oh', [1.290000e+12, 0.0, 14900.1])
|
|
|
|
# Reaction 604
|
|
reaction('c3h6o1-2 + oh => c3h6 + ho2', [1.000000e-10, 0.0, 0.0])
|
|
|
|
# Reaction 605
|
|
reaction('c3h6 + ch3o2 => c3h5-a + ch3o2h', [3.240000e+11, 0.0, 14900.1])
|
|
|
|
# Reaction 606
|
|
reaction('c3h5-a + ch3o2h => c3h6 + ch3o2', [2.000000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 607
|
|
reaction('c3h6o1-2 => c2h4 + ch2o', [6.000000e+14, 0.0, 60000.0])
|
|
|
|
# Reaction 608
|
|
reaction('c2h4 + ch2o => c3h6o1-2', [2.970000e+11, 0.0, 50000.0])
|
|
|
|
# Reaction 609
|
|
reaction('c3h6o1-2 + oh => ch2o + c2h3 + h2o', [5.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 610
|
|
reaction('ch2o + c2h3 + h2o => c3h6o1-2 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 611
|
|
reaction('c3h6o1-2 + h => ch2o + c2h3 + h2', [2.630000e+07, 2.0, 5000.0])
|
|
|
|
# Reaction 612
|
|
reaction('ch2o + c2h3 + h2 => c3h6o1-2 + h', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 613
|
|
reaction('c3h6o1-2 + o => ch2o + c2h3 + oh', [8.430000e+13, 0.0, 5200.05])
|
|
|
|
# Reaction 614
|
|
reaction('ch2o + c2h3 + oh => c3h6o1-2 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 615
|
|
reaction('c3h6o1-2 + ho2 => ch2o + c2h3 + h2o2', [1.000000e+13, 0.0, 15000.0])
|
|
|
|
# Reaction 616
|
|
reaction('ch2o + c2h3 + h2o2 => c3h6o1-2 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 617
|
|
reaction('c3h6o1-2 + ch3o2 => ch2o + c2h3 + ch3o2h', [1.000000e+13, 0.0, 19000.0])
|
|
|
|
# Reaction 618
|
|
reaction('ch2o + c2h3 + ch3o2h => c3h6o1-2 + ch3o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 619
|
|
reaction('c3h6o1-2 + ch3 => ch2o + c2h3 + ch4', [2.000000e+11, 0.0, 10000.0])
|
|
|
|
# Reaction 620
|
|
reaction('ch2o + c2h3 + ch4 => c3h6o1-2 + ch3', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 621
|
|
reaction('c2h4o2h => c2h4 + ho2', [9.290000e+30, -6.1, 19929.97])
|
|
|
|
# Reaction 622
|
|
reaction('c2h4 + ho2 => c2h4o2h', [1.879000e+25, -4.48, 11659.89])
|
|
|
|
# Reaction 623
|
|
reaction('c3h6ooh1-2 => c3h6o1-2 + oh', [1.250000e+15, -1.19, 17580.07])
|
|
|
|
# Reaction 624
|
|
reaction('c3h6o1-2 + oh => c3h6ooh1-2', [4.965000e+08, 1.03, 29090.11])
|
|
|
|
# Reaction 625
|
|
reaction('c3h6ooh2-1 => c3h6o1-2 + oh', [3.460000e+16, -1.61, 18869.98])
|
|
|
|
# Reaction 626
|
|
reaction('c3h6o1-2 + oh => c3h6ooh2-1', [2.787000e+17, -1.52, 33090.11])
|
|
|
|
# Reaction 627
|
|
reaction('c3h6ooh1-2 => c3h6 + ho2', [5.500000e+14, -0.85, 15260.04])
|
|
|
|
# Reaction 628
|
|
reaction('c3h6 + ho2 => c3h6ooh1-2', [6.466000e+10, 0.2, 8278.92])
|
|
|
|
# Reaction 629
|
|
reaction('c3h6ooh2-1 => c3h6 + ho2', [2.440000e+19, -2.14, 18229.92])
|
|
|
|
# Reaction 630
|
|
reaction('c3h6 + ho2 => c3h6ooh2-1', [5.818000e+22, -3.23, 13960.09])
|
|
|
|
# Reaction 631
|
|
reaction('nc3h7o => c2h5 + ch2o', [1.394000e+16, -0.87, 19770.08])
|
|
|
|
# Reaction 632
|
|
reaction('c2h5 + ch2o => nc3h7o', [1.000000e+11, 0.0, 11900.1])
|
|
|
|
# Reaction 633
|
|
reaction('ic3h7o => ch3 + ch3cho', [3.845000e+17, -1.25, 20489.96])
|
|
|
|
# Reaction 634
|
|
reaction('ch3 + ch3cho => ic3h7o', [1.500000e+11, 0.0, 12900.1])
|
|
|
|
# Reaction 635
|
|
reaction('ic3h7o => ch3coch3 + h', [2.000000e+14, 0.0, 21500.0])
|
|
|
|
# Reaction 636
|
|
reaction('ch3coch3 + h => ic3h7o', [7.888000e+12, 0.25, 6809.99])
|
|
|
|
# Reaction 637
|
|
reaction('nc3h7o => c2h5cho + h', [2.510000e+14, 0.0, 23400.1])
|
|
|
|
# Reaction 638
|
|
reaction('c2h5cho + h => nc3h7o', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 639
|
|
reaction('ic3h7o + o2 => ch3coch3 + ho2', [9.090000e+09, 0.0, 390.06])
|
|
|
|
# Reaction 640
|
|
reaction('ch3coch3 + ho2 => ic3h7o + o2', [1.000000e+11, 0.0, 32000.0])
|
|
|
|
# Reaction 641
|
|
reaction('ch3 + oh => ch2(s) + h2o', [2.650000e+13, 0.0, 2185.95])
|
|
|
|
# Reaction 642
|
|
reaction('ch2(s) + h2o => ch3 + oh', [3.236000e+10, 0.89, 1211.04])
|
|
|
|
# Reaction 643
|
|
reaction('ch3oh + o2 => ch2oh + ho2', [2.050000e+13, 0.0, 44900.1])
|
|
|
|
# Reaction 644
|
|
reaction('ch2oh + ho2 => ch3oh + o2', [3.989000e+05, 1.99, -4424.0])
|
|
|
|
# Reaction 645
|
|
reaction('nc3h7o2 + ch3o2 => nc3h7o + ch3o + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 646
|
|
reaction('nc3h7o + ch3o + o2 => nc3h7o2 + ch3o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 647
|
|
reaction('ic3h7o2 + ch3o2 => ic3h7o + ch3o + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 648
|
|
reaction('ic3h7o + ch3o + o2 => ic3h7o2 + ch3o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 649
|
|
reaction('nc3h7o2 => c3h6ooh1-2', [2.000000e+11, 0.0, 26849.9])
|
|
|
|
# Reaction 650
|
|
reaction('c3h6ooh1-2 => nc3h7o2', [1.905000e+12, -0.17, 17650.1])
|
|
|
|
# Reaction 651
|
|
reaction('ic3h7o2 => c3h6ooh2-1', [6.000000e+11, 0.0, 29400.1])
|
|
|
|
# Reaction 652
|
|
reaction('c3h6ooh2-1 => ic3h7o2', [1.700000e+12, -0.54, 14359.94])
|
|
|
|
# Reaction 653
|
|
reaction('ic3h7o2 + c2h5o2 => ic3h7o + c2h5o + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 654
|
|
reaction('ic3h7o + c2h5o + o2 => ic3h7o2 + c2h5o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 655
|
|
reaction('nc3h7o2 + c2h5o2 => nc3h7o + c2h5o + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 656
|
|
reaction('nc3h7o + c2h5o + o2 => nc3h7o2 + c2h5o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 657
|
|
reaction('2 ic3h7o2 => o2 + 2 ic3h7o', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 658
|
|
reaction('o2 + 2 ic3h7o => 2 ic3h7o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 659
|
|
reaction('2 nc3h7o2 => o2 + 2 nc3h7o', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 660
|
|
reaction('o2 + 2 nc3h7o => 2 nc3h7o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 661
|
|
reaction('ic3h7o2 + nc3h7o2 => ic3h7o + nc3h7o + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 662
|
|
reaction('ic3h7o + nc3h7o + o2 => ic3h7o2 + nc3h7o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 663
|
|
reaction('ic3h7o2 + ch3 => ic3h7o + ch3o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 664
|
|
reaction('ic3h7o + ch3o => ic3h7o2 + ch3', [1.533000e+13, -0.13, 26320.03])
|
|
|
|
# Reaction 665
|
|
reaction('ic3h7o2 + c2h5 => ic3h7o + c2h5o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 666
|
|
reaction('ic3h7o + c2h5o => ic3h7o2 + c2h5', [3.389000e+13, -0.1, 29260.04])
|
|
|
|
# Reaction 667
|
|
reaction('ic3h7o2 + ic3h7 => 2 ic3h7o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 668
|
|
reaction('2 ic3h7o => ic3h7o2 + ic3h7', [5.531000e+11, 0.45, 29770.08])
|
|
|
|
# Reaction 669
|
|
reaction('ic3h7o2 + nc3h7 => ic3h7o + nc3h7o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 670
|
|
reaction('ic3h7o + nc3h7o => ic3h7o2 + nc3h7', [8.901000e+13, -0.22, 29750.0])
|
|
|
|
# Reaction 671
|
|
reaction('ic3h7o2 + c3h5-a => ic3h7o + c3h5o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 672
|
|
reaction('ic3h7o + c3h5o => ic3h7o2 + c3h5-a', [1.029000e+12, 0.06, 15030.11])
|
|
|
|
# Reaction 673
|
|
reaction('ic3h7o2 + c4h7 => ic3h7o + c4h7o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 674
|
|
reaction('ic3h7o + c4h7o => ic3h7o2 + c4h7', [6.730000e+06, 1.31, 44460.09])
|
|
|
|
# Reaction 675
|
|
reaction('nc3h7o2 + ch3 => nc3h7o + ch3o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 676
|
|
reaction('nc3h7o + ch3o => nc3h7o2 + ch3', [1.609000e+13, 0.02, 26130.02])
|
|
|
|
# Reaction 677
|
|
reaction('nc3h7o2 + c2h5 => nc3h7o + c2h5o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 678
|
|
reaction('nc3h7o + c2h5o => nc3h7o2 + c2h5', [3.558000e+13, 0.05, 29070.03])
|
|
|
|
# Reaction 679
|
|
reaction('nc3h7o2 + ic3h7 => nc3h7o + ic3h7o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 680
|
|
reaction('nc3h7o + ic3h7o => nc3h7o2 + ic3h7', [5.807000e+11, 0.6, 29580.07])
|
|
|
|
# Reaction 681
|
|
reaction('nc3h7o2 + nc3h7 => 2 nc3h7o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 682
|
|
reaction('2 nc3h7o => nc3h7o2 + nc3h7', [9.345000e+13, -0.07, 29559.99])
|
|
|
|
# Reaction 683
|
|
reaction('nc3h7o2 + c3h5-a => nc3h7o + c3h5o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 684
|
|
reaction('nc3h7o + c3h5o => nc3h7o2 + c3h5-a', [1.080000e+12, 0.21, 14840.11])
|
|
|
|
# Reaction 685
|
|
reaction('nc3h7o2 + c4h7 => nc3h7o + c4h7o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 686
|
|
reaction('nc3h7o + c4h7o => nc3h7o2 + c4h7', [7.065000e+06, 1.46, 44270.08])
|
|
|
|
# Reaction 687
|
|
reaction('nc3h7o2 => nc3h7 + o2', [3.870000e+18, -1.16, 36080.07])
|
|
|
|
# Reaction 688
|
|
reaction('nc3h7 + o2 => nc3h7o2', [4.520000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 689
|
|
reaction('ic3h7o2 => ic3h7 + o2', [4.212000e+16, -0.34, 35909.89])
|
|
|
|
# Reaction 690
|
|
reaction('ic3h7 + o2 => ic3h7o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 691
|
|
reaction('nc3h7 + ho2 => nc3h7o + oh', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 692
|
|
reaction('nc3h7o + oh => nc3h7 + ho2', [1.767000e+15, -0.44, 26979.92])
|
|
|
|
# Reaction 693
|
|
reaction('ic3h7 + ho2 => ic3h7o + oh', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 694
|
|
reaction('ic3h7o + oh => ic3h7 + ho2', [1.098000e+13, 0.23, 27000.0])
|
|
|
|
# Reaction 695
|
|
reaction('ch3o2 + nc3h7 => ch3o + nc3h7o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 696
|
|
reaction('ch3o + nc3h7o => ch3o2 + nc3h7', [1.725000e+17, -1.02, 31739.96])
|
|
|
|
# Reaction 697
|
|
reaction('ch3o2 + ic3h7 => ch3o + ic3h7o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 698
|
|
reaction('ch3o + ic3h7o => ch3o2 + ic3h7', [1.072000e+15, -0.35, 31760.04])
|
|
|
|
# Reaction 699
|
|
reaction('ch3o2 + c3h8 => ch3o2h + nc3h7', [1.700000e+13, 0.0, 20460.09])
|
|
|
|
# Reaction 700
|
|
reaction('ch3o2h + nc3h7 => ch3o2 + c3h8', [5.000000e+11, 0.0, 6500.0])
|
|
|
|
# Reaction 701
|
|
reaction('ch3o2 + c3h8 => ch3o2h + ic3h7', [2.000000e+12, 0.0, 17000.0])
|
|
|
|
# Reaction 702
|
|
reaction('ch3o2h + ic3h7 => ch3o2 + c3h8', [5.000000e+11, 0.0, 6500.0])
|
|
|
|
# Reaction 703
|
|
reaction('c4h7o => ch3cho + c2h3', [7.940000e+14, 0.0, 19000.0])
|
|
|
|
# Reaction 704
|
|
reaction('ch3cho + c2h3 => c4h7o', [1.000000e+10, 0.0, 20000.0])
|
|
|
|
# Reaction 705
|
|
reaction('c4h7o => c2h3cho + ch3', [7.940000e+14, 0.0, 19000.0])
|
|
|
|
# Reaction 706
|
|
reaction('c2h3cho + ch3 => c4h7o', [1.000000e+10, 0.0, 20000.0])
|
|
|
|
# Reaction 707
|
|
reaction('c4h7 + ho2 => c4h7o + oh', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 708
|
|
reaction('c4h7o + oh => c4h7 + ho2', [1.336000e+08, 1.09, 41690.01])
|
|
|
|
# Reaction 709
|
|
reaction('c4h7 + ch3o2 => c4h7o + ch3o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 710
|
|
reaction('c4h7o + ch3o => c4h7 + ch3o2', [1.304000e+10, 0.51, 46450.05])
|
|
|
|
# Reaction 711
|
|
reaction('c4h7 + c2h5o2 => c4h7o + c2h5o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 712
|
|
reaction('c4h7o + c2h5o => c4h7 + c2h5o2', [8.539000e+06, 1.44, 44289.91])
|
|
|
|
# Reaction 713
|
|
reaction('c4h8-1 + oh => nc3h7 + ch2o', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 714
|
|
reaction('nc3h7 + ch2o => c4h8-1 + oh', [1.620000e+12, 0.0, 13229.92])
|
|
|
|
# Reaction 715
|
|
reaction('c4h8-1 + o => c3h6 + ch2o', [7.230000e+05, 2.34, -1049.95])
|
|
|
|
# Reaction 716
|
|
reaction('c3h6 + ch2o => c4h8-1 + o', [2.000000e+05, 2.34, 80280.11])
|
|
|
|
# Reaction 717
|
|
reaction('c4h8-1 + o => ch3cho + c2h4', [1.300000e+13, 0.0, 849.9])
|
|
|
|
# Reaction 718
|
|
reaction('ch3cho + c2h4 => c4h8-1 + o', [2.070000e+12, 0.0, 85099.9])
|
|
|
|
# Reaction 719
|
|
reaction('c4h8-1 + o => ch3co + c2h5', [1.300000e+13, 0.0, 849.9])
|
|
|
|
# Reaction 720
|
|
reaction('ch3co + c2h5 => c4h8-1 + o', [2.350000e+12, 0.0, 38150.1])
|
|
|
|
# Reaction 721
|
|
reaction('c4h8-1 + oh => ch3cho + c2h5', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 722
|
|
reaction('ch3cho + c2h5 => c4h8-1 + oh', [9.330000e+12, 0.0, 19929.97])
|
|
|
|
# Reaction 723
|
|
reaction('c4h8-1 + oh => ch3co + c2h6', [5.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 724
|
|
reaction('ch3co + c2h6 => c4h8-1 + oh', [9.830000e+12, 0.0, 32429.97])
|
|
|
|
# Reaction 725
|
|
reaction('c4h8-1 + o => c2h5cho + ch2', [1.300000e+13, 0.0, 849.9])
|
|
|
|
# Reaction 726
|
|
reaction('c2h5cho + ch2 => c4h8-1 + o', [5.710000e+09, 0.0, 11000.0])
|
|
|
|
# Reaction 727
|
|
reaction('c4h8-1 + o => c2h5co + ch3', [1.300000e+13, 0.0, 849.9])
|
|
|
|
# Reaction 728
|
|
reaction('c2h5co + ch3 => c4h8-1 + o', [4.800000e+11, 0.0, 32549.95])
|
|
|
|
# Reaction 729
|
|
reaction('c4h8-1 + oh => c2h5cho + ch3', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 730
|
|
reaction('c2h5cho + ch3 => c4h8-1 + oh', [4.950000e+10, 0.0, 16940.01])
|
|
|
|
# Reaction 731
|
|
reaction('c4h8-1 + oh => c2h5co + ch4', [5.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 732
|
|
reaction('c2h5co + ch4 => c4h8-1 + oh', [2.200000e+13, 0.0, 34270.08])
|
|
|
|
# Reaction 733
|
|
reaction('c4h8-1 + ch3o2 => c4h7 + ch3o2h', [1.400000e+12, 0.0, 14900.1])
|
|
|
|
# Reaction 734
|
|
reaction('c4h7 + ch3o2h => c4h8-1 + ch3o2', [3.160000e+11, 0.0, 13000.0])
|
|
|
|
# Reaction 735
|
|
reaction('c4h8ooh1-3o2 => c4h8ooh1-3 + o2', [8.094000e+21, -1.94, 37830.07])
|
|
|
|
# Reaction 736
|
|
reaction('c4h8ooh1-3 + o2 => c4h8ooh1-3o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 737
|
|
reaction('c4h8ooh1-3o2 => nc4ket13 + oh', [2.500000e+10, 0.0, 21400.1])
|
|
|
|
# Reaction 738
|
|
reaction('nc4ket13 + oh => c4h8ooh1-3o2', [6.508000e+04, 1.12, 44390.06])
|
|
|
|
# Reaction 739
|
|
reaction('c4h8ooh1-2 => c4h8-1 + ho2', [2.207000e+18, -1.94, 16390.06])
|
|
|
|
# Reaction 740
|
|
reaction('c4h8-1 + ho2 => c4h8ooh1-2', [1.500000e+11, 0.0, 7799.95])
|
|
|
|
# Reaction 741
|
|
reaction('c4h8ooh1-3 => c4h8o1-3 + oh', [5.000000e+10, 0.0, 15250.0])
|
|
|
|
# Reaction 742
|
|
reaction('c4h8o1-3 + oh => c4h8ooh1-3', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 743
|
|
reaction('c4h8ooh1-3 => oh + ch2o + c3h6', [6.637000e+13, -0.16, 29900.1])
|
|
|
|
# Reaction 744
|
|
reaction('oh + ch2o + c3h6 => c4h8ooh1-3', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 745
|
|
reaction('c4h8o1-3 + oh => ch2o + c3h5-a + h2o', [5.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 746
|
|
reaction('ch2o + c3h5-a + h2o => c4h8o1-3 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 747
|
|
reaction('c4h8o1-3 + h => ch2o + c3h5-a + h2', [5.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 748
|
|
reaction('ch2o + c3h5-a + h2 => c4h8o1-3 + h', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 749
|
|
reaction('c4h8o1-3 + o => ch2o + c3h5-a + oh', [5.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 750
|
|
reaction('ch2o + c3h5-a + oh => c4h8o1-3 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 751
|
|
reaction('c4h8o1-3 + ho2 => ch2o + c3h5-a + h2o2', [1.000000e+13, 0.0, 15000.0])
|
|
|
|
# Reaction 752
|
|
reaction('ch2o + c3h5-a + h2o2 => c4h8o1-3 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 753
|
|
reaction('c4h8o1-3 + ch3o2 => ch2o + c3h5-a + ch3o2h', [1.000000e+13, 0.0, 19000.0])
|
|
|
|
# Reaction 754
|
|
reaction('ch2o + c3h5-a + ch3o2h => c4h8o1-3 + ch3o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 755
|
|
reaction('c4h8o1-3 + ch3 => ch2o + c3h5-a + ch4', [2.000000e+11, 0.0, 10000.0])
|
|
|
|
# Reaction 756
|
|
reaction('ch2o + c3h5-a + ch4 => c4h8o1-3 + ch3', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 757
|
|
reaction('pc4h9o2 => c4h8ooh1-2', [2.000000e+11, 0.0, 26849.9])
|
|
|
|
# Reaction 758
|
|
reaction('c4h8ooh1-2 => pc4h9o2', [5.175000e+10, -0.23, 14299.95])
|
|
|
|
# Reaction 759
|
|
reaction('pc4h9o2 => c4h8ooh1-3', [2.500000e+10, 0.0, 20849.9])
|
|
|
|
# Reaction 760
|
|
reaction('c4h8ooh1-3 => pc4h9o2', [1.744000e+09, -0.05, 8186.9])
|
|
|
|
# Reaction 761
|
|
reaction('c2h5cho + ch3o2 => c2h5co + ch3o2h', [3.010000e+12, 0.0, 11929.97])
|
|
|
|
# Reaction 762
|
|
reaction('c2h5co + ch3o2h => c2h5cho + ch3o2', [2.358000e+13, -0.51, 8983.03])
|
|
|
|
# Reaction 763
|
|
reaction('c2h5cho + c4h7 => c2h5co + c4h8-1', [1.700000e+12, 0.0, 8440.01])
|
|
|
|
# Reaction 764
|
|
reaction('c2h5co + c4h8-1 => c2h5cho + c4h7', [1.000000e+13, 0.0, 28000.0])
|
|
|
|
# Reaction 765
|
|
reaction('c2h5o2 => c2h4 + ho2', [3.370000e+55, -13.42, 44669.93])
|
|
|
|
# Reaction 766
|
|
reaction('c2h4 + ho2 => c2h5o2', [1.290000e+50, -12.28, 21299.95])
|
|
|
|
# Reaction 767
|
|
reaction('c2h4o2h => c2h5 + o2', [2.150000e+37, -8.21, 28020.08])
|
|
|
|
# Reaction 768
|
|
reaction('c2h5 + o2 => c2h4o2h', [2.420000e+35, -8.03, 8311.9])
|
|
|
|
# Reaction 769
|
|
reaction('c3h4-a + ho2 => c2h4 + co + oh', [1.000000e+12, 0.0, 14000.0])
|
|
|
|
# Reaction 770
|
|
reaction('c2h4 + co + oh => c3h4-a + ho2', [1.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 771
|
|
reaction('c3h4-a + ho2 => c3h3 + h2o2', [3.000000e+13, 0.0, 14000.0])
|
|
|
|
# Reaction 772
|
|
reaction('c3h3 + h2o2 => c3h4-a + ho2', [1.551000e+16, -1.38, 44000.0])
|
|
|
|
# Reaction 773
|
|
reaction('ch3cho + oh => ch3 + hocho', [3.000000e+15, -1.08, 0.0])
|
|
|
|
# Reaction 774
|
|
reaction('ch3 + hocho => ch3cho + oh', [5.350000e+19, -1.68, 119799.95])
|
|
|
|
# Reaction 775
|
|
reaction('c3h5-t + o2 => c3h4-a + ho2', [1.890000e+30, -5.59, 15539.91])
|
|
|
|
# Reaction 776
|
|
reaction('c3h4-a + ho2 => c3h5-t + o2', [1.569000e+31, -5.82, 26609.94])
|
|
|
|
# Reaction 777
|
|
reaction('c3h6 + o2 => c3h5-a + ho2', [4.000000e+12, 0.0, 39900.1])
|
|
|
|
# Reaction 778
|
|
reaction('c3h5-a + ho2 => c3h6 + o2', [3.332000e+10, 0.34, -555.93])
|
|
|
|
# Reaction 779
|
|
reaction('c3h6 + ch3 => c3h5-a + ch4', [2.210000e+00, 3.5, 5674.95])
|
|
|
|
# Reaction 780
|
|
reaction('c3h5-a + ch4 => c3h6 + ch3', [2.647000e+01, 3.51, 23179.97])
|
|
|
|
# Reaction 781
|
|
reaction('c3h6 + ch3 => c3h5-s + ch4', [1.348000e+00, 3.5, 12849.9])
|
|
|
|
# Reaction 782
|
|
reaction('c3h5-s + ch4 => c3h6 + ch3', [1.048000e-01, 3.99, 6924.95])
|
|
|
|
# Reaction 783
|
|
reaction('c3h6 + ch3 => c3h5-t + ch4', [8.400000e-01, 3.5, 11659.89])
|
|
|
|
# Reaction 784
|
|
reaction('c3h5-t + ch4 => c3h6 + ch3', [1.496000e-02, 4.19, 7842.02])
|
|
|
|
# Reaction 785
|
|
reaction('c3h6 + c2h5 => c3h5-a + c2h6', [1.000000e+11, 0.0, 9799.95])
|
|
|
|
# Reaction 786
|
|
reaction('c3h5-a + c2h6 => c3h6 + c2h5', [5.369000e+05, 1.33, 16440.01])
|
|
|
|
# Reaction 787
|
|
reaction('c3h5-t => c2h2 + ch3', [2.163000e+10, -8.31, 45109.94])
|
|
|
|
# Reaction 788
|
|
reaction('c2h2 + ch3 => c3h5-t', [1.610000e+10, -8.58, 20330.07])
|
|
|
|
# Reaction 789
|
|
reaction('c3h5-a + ho2 => c2h3 + ch2o + oh', [1.000000e-18, 0.0, 0.0])
|
|
|
|
# Reaction 790
|
|
reaction('c2h3 + ch2o + oh => c3h5-a + ho2', [1.000000e-30, 0.0, 0.0])
|
|
|
|
# Reaction 791
|
|
reaction('c3h5-a + h => c3h4-a + h2', [1.810000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 792
|
|
reaction('c3h4-a + h2 => c3h5-a + h', [1.230000e+13, 0.12, 47229.92])
|
|
|
|
# Reaction 793
|
|
reaction('c3h5-a + ch3 => c3h4-a + ch4', [1.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 794
|
|
reaction('c3h4-a + ch4 => c3h5-a + ch3', [4.921000e+12, 0.05, 47780.11])
|
|
|
|
# Reaction 795
|
|
reaction('c3h5-a + c2h5 => c2h6 + c3h4-a', [4.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 796
|
|
reaction('c2h6 + c3h4-a => c3h5-a + c2h5', [1.802000e+12, 0.05, 40330.07])
|
|
|
|
# Reaction 797
|
|
reaction('c3h5-a + c2h5 => c2h4 + c3h6', [4.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 798
|
|
reaction('c2h4 + c3h6 => c3h5-a + c2h5', [6.937000e+16, -1.33, 52799.95])
|
|
|
|
# Reaction 799
|
|
reaction('c3h5-a + c2h3 => c2h4 + c3h4-a', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 800
|
|
reaction('c2h4 + c3h4-a => c3h5-a + c2h3', [1.624000e+13, 0.05, 48190.01])
|
|
|
|
# Reaction 801
|
|
reaction('c3h4-a + c3h6 => 2 c3h5-a', [8.391000e+17, -1.29, 33690.01])
|
|
|
|
# Reaction 802
|
|
reaction('2 c3h5-a => c3h4-a + c3h6', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 803
|
|
reaction('c3h5-a + o2 => c2h3cho + oh', [2.470000e+13, -0.44, 23020.08])
|
|
|
|
# Reaction 804
|
|
reaction('c2h3cho + oh => c3h5-a + o2', [1.903000e+14, -0.8, 74880.02])
|
|
|
|
# Reaction 805
|
|
reaction('c3h5-s + o2 => ch3cho + hco', [4.335000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 806
|
|
reaction('ch3cho + hco => c3h5-s + o2', [1.611000e+17, -1.27, 96530.11])
|
|
|
|
# Reaction 807
|
|
reaction('c3h5-s + h => c3h4-a + h2', [3.333000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 808
|
|
reaction('c3h4-a + h2 => c3h5-s + h', [7.977000e+12, 0.11, 68859.94])
|
|
|
|
# Reaction 809
|
|
reaction('c3h5-s + ch3 => c3h4-a + ch4', [1.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 810
|
|
reaction('c3h4-a + ch4 => c3h5-s + ch3', [6.253000e+12, 0.11, 69340.11])
|
|
|
|
# Reaction 811
|
|
reaction('c3h5-t + o2 => ch3coch2 + o', [3.810000e+17, -1.36, 5580.07])
|
|
|
|
# Reaction 812
|
|
reaction('ch3coch2 + o => c3h5-t + o2', [2.000000e+11, 0.0, 17500.0])
|
|
|
|
# Reaction 813
|
|
reaction('c3h5-t + h => c3h4-p + h2', [3.333000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 814
|
|
reaction('c3h4-p + h2 => c3h5-t + h', [2.138000e+16, -0.88, 71049.95])
|
|
|
|
# Reaction 815
|
|
reaction('c3h5-t + ch3 => c3h4-p + ch4', [1.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 816
|
|
reaction('c3h4-p + ch4 => c3h5-t + ch3', [1.676000e+16, -0.88, 71530.11])
|
|
|
|
# Reaction 817
|
|
three_body_reaction('c3h4-a + M => c3h3 + h + M', [1.143000e+17, 0.0, 70000.0])
|
|
|
|
# Reaction 818
|
|
three_body_reaction('c3h3 + h + M => c3h4-a + M', [1.798000e+15, -0.38, 10609.94])
|
|
|
|
# Reaction 819
|
|
reaction('c3h4-a => c3h4-p', [1.202000e+15, 0.0, 92400.1])
|
|
|
|
# Reaction 820
|
|
reaction('c3h4-p => c3h4-a', [3.222000e+18, -0.99, 96590.11])
|
|
|
|
# Reaction 821
|
|
reaction('c3h4-a + o2 => c3h3 + ho2', [4.000000e+13, 0.0, 39159.89])
|
|
|
|
# Reaction 822
|
|
reaction('c3h3 + ho2 => c3h4-a + o2', [1.175000e+11, 0.3, 38.0])
|
|
|
|
# Reaction 823
|
|
reaction('c3h4-a + ho2 => ch2co + ch2 + oh', [4.000000e+12, 0.0, 19000.0])
|
|
|
|
# Reaction 824
|
|
reaction('ch2co + ch2 + oh => c3h4-a + ho2', [1.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 825
|
|
reaction('c3h3 + h => c3h2 + h2', [5.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 826
|
|
reaction('c3h2 + h2 => c3h3 + h', [3.853000e+10, 0.38, 4599.9])
|
|
|
|
# Reaction 827
|
|
reaction('c3h4-a + oh => c3h3 + h2o', [1.000000e+07, 2.0, 1000.0])
|
|
|
|
# Reaction 828
|
|
reaction('c3h3 + h2o => c3h4-a + oh', [7.003000e+06, 1.97, 34520.08])
|
|
|
|
# Reaction 829
|
|
reaction('c3h4-a + o => c2h4 + co', [7.800000e+12, 0.0, 1599.9])
|
|
|
|
# Reaction 830
|
|
reaction('c2h4 + co => c3h4-a + o', [8.280000e+13, -0.21, 124799.95])
|
|
|
|
# Reaction 831
|
|
reaction('c3h2 + oh => c2h2 + hco', [5.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 832
|
|
reaction('c2h2 + hco => c3h2 + oh', [2.907000e+20, -1.39, 78520.08])
|
|
|
|
# Reaction 833
|
|
reaction('c3h5-a => c3h4-a + h', [6.663000e+15, -0.43, 63219.89])
|
|
|
|
# Reaction 834
|
|
reaction('c3h4-a + h => c3h5-a', [2.400000e+11, 0.69, 3006.93])
|
|
|
|
# Reaction 835
|
|
reaction('c3h5-t => c3h4-a + h', [3.508000e+14, -0.44, 40890.06])
|
|
|
|
# Reaction 836
|
|
reaction('c3h4-a + h => c3h5-t', [8.500000e+12, 0.0, 2000.0])
|
|
|
|
# Reaction 837
|
|
reaction('c3h4-a + h => c3h3 + h2', [2.000000e+07, 2.0, 5000.0])
|
|
|
|
# Reaction 838
|
|
reaction('c3h3 + h2 => c3h4-a + h', [3.235000e+06, 1.97, 23359.94])
|
|
|
|
# Reaction 839
|
|
reaction('c3h4-a + ch3 => c3h3 + ch4', [3.670000e-02, 4.01, 6830.07])
|
|
|
|
# Reaction 840
|
|
reaction('c3h3 + ch4 => c3h4-a + ch3', [1.551000e-01, 3.98, 25669.93])
|
|
|
|
# Reaction 841
|
|
reaction('c3h4-a + c3h5-a => c3h3 + c3h6', [2.000000e+11, 0.0, 7700.05])
|
|
|
|
# Reaction 842
|
|
reaction('c3h3 + c3h6 => c3h4-a + c3h5-a', [2.644000e+19, -2.71, 42140.06])
|
|
|
|
# Reaction 843
|
|
reaction('c3h4-a + c2h => c3h3 + c2h2', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 844
|
|
reaction('c3h3 + c2h2 => c3h4-a + c2h', [1.420000e+16, -1.38, 53820.03])
|
|
|
|
# Reaction 845
|
|
three_body_reaction('c3h4-p + M => c3h3 + h + M', [1.143000e+17, 0.0, 70000.0])
|
|
|
|
# Reaction 846
|
|
three_body_reaction('c3h3 + h + M => c3h4-p + M', [6.708000e+11, 0.61, 6419.93])
|
|
|
|
# Reaction 847
|
|
reaction('c3h4-p => c2h + ch3', [4.200000e+16, 0.0, 100000.0])
|
|
|
|
# Reaction 848
|
|
reaction('c2h + ch3 => c3h4-p', [1.018000e+12, 0.61, -1599.9])
|
|
|
|
# Reaction 849
|
|
reaction('c3h4-p + o2 => c3h3 + ho2', [2.000000e+13, 0.0, 41599.9])
|
|
|
|
# Reaction 850
|
|
reaction('c3h3 + ho2 => c3h4-p + o2', [2.354000e+11, 0.14, 77.92])
|
|
|
|
# Reaction 851
|
|
reaction('c3h4-p + ho2 => c2h4 + co + oh', [3.000000e+12, 0.0, 19000.0])
|
|
|
|
# Reaction 852
|
|
reaction('c2h4 + co + oh => c3h4-p + ho2', [1.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 853
|
|
reaction('c3h4-p + oh => c3h3 + h2o', [1.000000e+07, 2.0, 1000.0])
|
|
|
|
# Reaction 854
|
|
reaction('c3h3 + h2o => c3h4-p + oh', [2.805000e+07, 1.81, 32119.98])
|
|
|
|
# Reaction 855
|
|
reaction('c3h4-p + o => c3h3 + oh', [7.650000e+08, 1.5, 8599.9])
|
|
|
|
# Reaction 856
|
|
reaction('c3h3 + oh => c3h4-p + o', [2.177000e+08, 1.31, 22469.89])
|
|
|
|
# Reaction 857
|
|
reaction('c3h4-p + o => c2h3 + hco', [3.200000e+12, 0.0, 2010.04])
|
|
|
|
# Reaction 858
|
|
reaction('c2h3 + hco => c3h4-p + o', [2.548000e+12, -0.39, 32349.9])
|
|
|
|
# Reaction 859
|
|
reaction('c3h4-p + o => hcco + ch3', [9.600000e+08, 1.0, 0.0])
|
|
|
|
# Reaction 860
|
|
reaction('hcco + ch3 => c3h4-p + o', [1.643000e+10, -0.2, 24090.11])
|
|
|
|
# Reaction 861
|
|
reaction('c3h5-t => c3h4-p + h', [1.075000e+15, -0.6, 38489.96])
|
|
|
|
# Reaction 862
|
|
reaction('c3h4-p + h => c3h5-t', [6.500000e+12, 0.0, 2000.0])
|
|
|
|
# Reaction 863
|
|
reaction('c3h5-s => c3h4-p + h', [4.187000e+15, -0.79, 37479.92])
|
|
|
|
# Reaction 864
|
|
reaction('c3h4-p + h => c3h5-s', [5.800000e+12, 0.0, 3099.9])
|
|
|
|
# Reaction 865
|
|
reaction('c3h4-p + h => c3h3 + h2', [2.000000e+07, 2.0, 5000.0])
|
|
|
|
# Reaction 866
|
|
reaction('c3h3 + h2 => c3h4-p + h', [1.296000e+07, 1.81, 20960.09])
|
|
|
|
# Reaction 867
|
|
reaction('c3h4-p + ch3 => c3h3 + ch4', [1.500000e+00, 3.5, 5599.9])
|
|
|
|
# Reaction 868
|
|
reaction('c3h3 + ch4 => c3h4-p + ch3', [2.539000e+01, 3.31, 22039.91])
|
|
|
|
# Reaction 869
|
|
reaction('c3h4-p + c2h => c3h3 + c2h2', [1.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 870
|
|
reaction('c3h3 + c2h2 => c3h4-p + c2h', [5.297000e+11, -0.39, 49630.02])
|
|
|
|
# Reaction 871
|
|
reaction('c3h4-p + c2h3 => c3h3 + c2h4', [1.000000e+12, 0.0, 7700.05])
|
|
|
|
# Reaction 872
|
|
reaction('c3h3 + c2h4 => c3h4-p + c2h3', [9.541000e+11, -0.39, 52450.05])
|
|
|
|
# Reaction 873
|
|
reaction('c3h4-p + c3h5-a => c3h3 + c3h6', [1.000000e+12, 0.0, 7700.05])
|
|
|
|
# Reaction 874
|
|
reaction('c3h3 + c3h6 => c3h4-p + c3h5-a', [4.931000e+16, -1.73, 37950.05])
|
|
|
|
# Reaction 875
|
|
reaction('c3h3 + o => ch2o + c2h', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 876
|
|
reaction('ch2o + c2h => c3h3 + o', [5.446000e+14, 0.0, 31609.94])
|
|
|
|
# Reaction 877
|
|
reaction('c3h3 + oh => c3h2 + h2o', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 878
|
|
reaction('c3h2 + h2o => c3h3 + oh', [1.343000e+15, 0.0, 15679.97])
|
|
|
|
# Reaction 879
|
|
reaction('c3h3 + o2 => ch2co + hco', [3.010000e+10, 0.0, 2869.98])
|
|
|
|
# Reaction 880
|
|
reaction('ch2co + hco => c3h3 + o2', [4.881000e+11, 0.0, 59469.89])
|
|
|
|
# Reaction 881
|
|
reaction('c3h3 + ch3 => c2h5 + c2h', [4.564000e+17, -1.1, 48729.92])
|
|
|
|
# Reaction 882
|
|
reaction('c2h5 + c2h => c3h3 + ch3', [1.810000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 883
|
|
reaction('pc4h9o2 => pc4h9 + o2', [7.601000e+18, -1.22, 35840.11])
|
|
|
|
# Reaction 884
|
|
reaction('pc4h9 + o2 => pc4h9o2', [4.520000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 885
|
|
reaction('c2h3o1,2 => ch3co', [8.500000e+14, 0.0, 14000.0])
|
|
|
|
# Reaction 886
|
|
reaction('ch3co => c2h3o1,2', [1.136000e+10, 2.11, 33520.08])
|
|
|
|
# Reaction 887
|
|
reaction('c2h3o1,2 => ch2cho', [1.000000e+14, 0.0, 14000.0])
|
|
|
|
# Reaction 888
|
|
reaction('ch2cho => c2h3o1,2', [1.233000e+11, 1.71, 28299.95])
|
|
|
|
# Reaction 889
|
|
reaction('ch2cho => ch2co + h', [3.094000e+15, -0.26, 50820.03])
|
|
|
|
# Reaction 890
|
|
reaction('ch2co + h => ch2cho', [5.000000e+13, 0.0, 12299.95])
|
|
|
|
# Reaction 891
|
|
reaction('ch2cho + o2 => ch2o + co + oh', [2.000000e+13, 0.0, 4200.05])
|
|
|
|
# Reaction 892
|
|
reaction('ch2o + co + oh => ch2cho + o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 893
|
|
reaction('nc4ket13 => ch3cho + ch2cho + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 894
|
|
reaction('ch3cho + ch2cho + oh => nc4ket13', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 895
|
|
reaction('c3h5-a + o2 => c3h4-a + ho2', [2.180000e+21, -2.85, 30760.04])
|
|
|
|
# Reaction 896
|
|
reaction('c3h4-a + ho2 => c3h5-a + o2', [2.690000e+19, -2.4, 20500.0])
|
|
|
|
# Reaction 897
|
|
reaction('c3h5-a + o2 => ch2cho + ch2o', [7.140000e+15, -1.21, 21049.95])
|
|
|
|
# Reaction 898
|
|
reaction('ch2cho + ch2o => c3h5-a + o2', [4.944000e+16, -1.4, 88619.98])
|
|
|
|
# Reaction 899
|
|
reaction('c3h5-a + o2 => c2h2 + ch2o + oh', [9.720000e+29, -5.71, 21450.05])
|
|
|
|
# Reaction 900
|
|
reaction('c2h2 + ch2o + oh => c3h5-a + o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 901
|
|
reaction('hcco + o2 => co2 + hco', [2.400000e+11, 0.0, -853.97])
|
|
|
|
# Reaction 902
|
|
reaction('co2 + hco => hcco + o2', [1.474000e+14, 0.0, 133599.9])
|
|
|
|
# Reaction 903
|
|
reaction('c3h6 + h => c3h5-s + h2', [8.040000e+05, 2.5, 12280.11])
|
|
|
|
# Reaction 904
|
|
reaction('c3h5-s + h2 => c3h6 + h', [2.393000e+03, 2.99, 5875.96])
|
|
|
|
# Reaction 905
|
|
reaction('ch2co + oh => ch2oh + co', [3.730000e+12, 0.0, -1012.91])
|
|
|
|
# Reaction 906
|
|
reaction('ch2oh + co => ch2co + oh', [9.430000e+06, 1.66, 27489.96])
|
|
|
|
# Reaction 907
|
|
reaction('ch3 + o2 => ch2o + oh', [7.470000e+11, 0.0, 14250.0])
|
|
|
|
# Reaction 908
|
|
reaction('ch2o + oh => ch3 + o2', [7.778000e+11, 0.0, 67770.08])
|
|
|
|
# Reaction 909
|
|
reaction('c2h4 + h2 => 2 ch3', [3.767000e+12, 0.83, 84710.09])
|
|
|
|
# Reaction 910
|
|
reaction('2 ch3 => c2h4 + h2', [1.000000e+14, 0.0, 32000.0])
|
|
|
|
# Reaction 911
|
|
reaction('c3h5-t + o2 => ch2o + ch3co', [3.710000e+25, -3.96, 7043.02])
|
|
|
|
# Reaction 912
|
|
reaction('ch2o + ch3co => c3h5-t + o2', [1.872000e+27, -4.43, 101200.05])
|
|
|
|
# Reaction 913
|
|
reaction('ic3h7 + oh => c3h6 + h2o', [2.410000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 914
|
|
reaction('c3h6 + h2o => ic3h7 + oh', [2.985000e+12, 0.57, 83820.03])
|
|
|
|
# Reaction 915
|
|
reaction('ic3h7 + o => ch3coch3 + h', [4.818000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 916
|
|
reaction('ch3coch3 + h => ic3h7 + o', [1.293000e+16, -0.19, 79380.02])
|
|
|
|
# Reaction 917
|
|
reaction('ic3h7 + o => ch3cho + ch3', [4.818000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 918
|
|
reaction('ch3cho + ch3 => ic3h7 + o', [1.279000e+11, 0.8, 86479.92])
|
|
|
|
# Reaction 919
|
|
reaction('c3h6 + h => c3h5-t + h2', [4.050000e+05, 2.5, 9793.98])
|
|
|
|
# Reaction 920
|
|
reaction('c3h5-t + h2 => c3h6 + h', [2.761000e+02, 3.19, 5500.0])
|
|
|
|
# Reaction 921
|
|
reaction('c3h6 => c3h5-t + h', [5.620000e+71, -16.58, 139299.95])
|
|
|
|
# Reaction 922
|
|
reaction('c3h5-t + h => c3h6', [2.032000e+64, -14.89, 27549.95])
|
|
|
|
# Reaction 923
|
|
reaction('nc3h7cho + o2 => nc3h7co + ho2', [2.000000e+13, 0.5, 42200.05])
|
|
|
|
# Reaction 924
|
|
reaction('nc3h7co + ho2 => nc3h7cho + o2', [1.000000e+07, 0.5, 4000.0])
|
|
|
|
# Reaction 925
|
|
reaction('nc3h7cho + oh => nc3h7co + h2o', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 926
|
|
reaction('nc3h7co + h2o => nc3h7cho + oh', [2.000000e+13, 0.0, 37000.0])
|
|
|
|
# Reaction 927
|
|
reaction('nc3h7cho + h => nc3h7co + h2', [4.000000e+13, 0.0, 4200.05])
|
|
|
|
# Reaction 928
|
|
reaction('nc3h7co + h2 => nc3h7cho + h', [1.800000e+13, 0.0, 24000.0])
|
|
|
|
# Reaction 929
|
|
reaction('nc3h7cho + o => nc3h7co + oh', [5.000000e+12, 0.0, 1789.91])
|
|
|
|
# Reaction 930
|
|
reaction('nc3h7co + oh => nc3h7cho + o', [1.000000e+12, 0.0, 19000.0])
|
|
|
|
# Reaction 931
|
|
reaction('nc3h7cho + ho2 => nc3h7co + h2o2', [2.800000e+12, 0.0, 13599.9])
|
|
|
|
# Reaction 932
|
|
reaction('nc3h7co + h2o2 => nc3h7cho + ho2', [1.000000e+12, 0.0, 10000.0])
|
|
|
|
# Reaction 933
|
|
reaction('nc3h7cho + ch3 => nc3h7co + ch4', [1.700000e+12, 0.0, 8440.01])
|
|
|
|
# Reaction 934
|
|
reaction('nc3h7co + ch4 => nc3h7cho + ch3', [1.500000e+13, 0.0, 28000.0])
|
|
|
|
# Reaction 935
|
|
reaction('nc3h7cho + ch3o => nc3h7co + ch3oh', [1.150000e+11, 0.0, 1280.11])
|
|
|
|
# Reaction 936
|
|
reaction('nc3h7co + ch3oh => nc3h7cho + ch3o', [3.000000e+11, 0.0, 18000.0])
|
|
|
|
# Reaction 937
|
|
reaction('nc3h7cho + ch3o2 => nc3h7co + ch3o2h', [1.000000e+12, 0.0, 9500.0])
|
|
|
|
# Reaction 938
|
|
reaction('nc3h7co + ch3o2h => nc3h7cho + ch3o2', [2.500000e+10, 0.0, 10000.0])
|
|
|
|
# Reaction 939
|
|
reaction('nc3h7cho + oh => c3h6cho-2 + h2o', [4.670000e+07, 1.61, -34.89])
|
|
|
|
# Reaction 940
|
|
reaction('c3h6cho-2 + h2o => nc3h7cho + oh', [8.057000e+05, 1.91, 21940.01])
|
|
|
|
# Reaction 941
|
|
reaction('nc3h7cho + ho2 => c3h6cho-2 + h2o2', [1.475000e+04, 2.6, 13909.89])
|
|
|
|
# Reaction 942
|
|
reaction('c3h6cho-2 + h2o2 => nc3h7cho + ho2', [1.511000e+03, 2.57, 4424.0])
|
|
|
|
# Reaction 943
|
|
reaction('nc3h7cho + ch3o2 => c3h6cho-2 + ch3o2h', [9.630000e+03, 2.6, 13909.89])
|
|
|
|
# Reaction 944
|
|
reaction('c3h6cho-2 + ch3o2h => nc3h7cho + ch3o2', [4.053000e+03, 2.4, 3704.11])
|
|
|
|
# Reaction 945
|
|
reaction('nc3h7co => nc3h7 + co', [1.000000e+11, 0.0, 9599.9])
|
|
|
|
# Reaction 946
|
|
reaction('nc3h7 + co => nc3h7co', [1.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 947
|
|
reaction('ch3chco + oh => c2h5 + co2', [1.730000e+12, 0.0, -1010.04])
|
|
|
|
# Reaction 948
|
|
reaction('c2h5 + co2 => ch3chco + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 949
|
|
reaction('ch3chco + h => c2h5 + co', [4.400000e+12, 0.0, 1458.89])
|
|
|
|
# Reaction 950
|
|
reaction('c2h5 + co => ch3chco + h', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 951
|
|
reaction('ch3chco + o => ch3cho + co', [3.200000e+12, 0.0, -436.9])
|
|
|
|
# Reaction 952
|
|
reaction('ch3cho + co => ch3chco + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 953
|
|
reaction('ch2ch2coch3 => c2h4 + ch3co', [5.970000e+12, 0.0, 20729.92])
|
|
|
|
# Reaction 954
|
|
reaction('c2h4 + ch3co => ch2ch2coch3', [2.110000e+11, 0.0, 7349.9])
|
|
|
|
# Reaction 955
|
|
reaction('c2h5coch2 => ch2co + c2h5', [1.570000e+13, 0.0, 30000.0])
|
|
|
|
# Reaction 956
|
|
reaction('ch2co + c2h5 => c2h5coch2', [2.110000e+11, 0.0, 7349.9])
|
|
|
|
# Reaction 957
|
|
reaction('c3h6cho-2 => c3h6 + hco', [8.249000e+12, -0.18, 21900.1])
|
|
|
|
# Reaction 958
|
|
reaction('c3h6 + hco => c3h6cho-2', [1.000000e+11, 0.0, 6000.0])
|
|
|
|
# Reaction 959
|
|
reaction('c2h5coc2h4p => c2h5co + c2h4', [1.548000e+17, -1.46, 27840.11])
|
|
|
|
# Reaction 960
|
|
reaction('c2h5co + c2h4 => c2h5coc2h4p', [7.000000e+10, 0.0, 9599.9])
|
|
|
|
# Reaction 961
|
|
reaction('nc3h7coch2 => nc3h7 + ch2co', [1.226000e+18, -1.4, 43450.05])
|
|
|
|
# Reaction 962
|
|
reaction('nc3h7 + ch2co => nc3h7coch2', [1.000000e+11, 0.0, 11599.9])
|
|
|
|
# Reaction 963
|
|
reaction('nc4h9cho + o2 => nc4h9co + ho2', [2.000000e+13, 0.5, 42200.05])
|
|
|
|
# Reaction 964
|
|
reaction('nc4h9co + ho2 => nc4h9cho + o2', [1.000000e+07, 0.0, 40000.0])
|
|
|
|
# Reaction 965
|
|
reaction('nc4h9cho + oh => nc4h9co + h2o', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 966
|
|
reaction('nc4h9co + h2o => nc4h9cho + oh', [2.000000e+13, 0.0, 37000.0])
|
|
|
|
# Reaction 967
|
|
reaction('nc4h9cho + h => nc4h9co + h2', [4.000000e+13, 0.0, 4200.05])
|
|
|
|
# Reaction 968
|
|
reaction('nc4h9co + h2 => nc4h9cho + h', [1.800000e+13, 0.0, 24000.0])
|
|
|
|
# Reaction 969
|
|
reaction('nc4h9cho + o => nc4h9co + oh', [5.000000e+12, 0.0, 1789.91])
|
|
|
|
# Reaction 970
|
|
reaction('nc4h9co + oh => nc4h9cho + o', [1.000000e+12, 0.0, 19000.0])
|
|
|
|
# Reaction 971
|
|
reaction('nc4h9cho + ho2 => nc4h9co + h2o2', [2.800000e+12, 0.0, 13599.9])
|
|
|
|
# Reaction 972
|
|
reaction('nc4h9co + h2o2 => nc4h9cho + ho2', [1.000000e+12, 0.0, 10000.0])
|
|
|
|
# Reaction 973
|
|
reaction('nc4h9cho + ch3 => nc4h9co + ch4', [1.700000e+12, 0.0, 8440.01])
|
|
|
|
# Reaction 974
|
|
reaction('nc4h9co + ch4 => nc4h9cho + ch3', [1.500000e+13, 0.0, 28000.0])
|
|
|
|
# Reaction 975
|
|
reaction('nc4h9cho + ch3o => nc4h9co + ch3oh', [1.150000e+11, 0.0, 1280.11])
|
|
|
|
# Reaction 976
|
|
reaction('nc4h9co + ch3oh => nc4h9cho + ch3o', [3.000000e+11, 0.0, 18000.0])
|
|
|
|
# Reaction 977
|
|
reaction('nc4h9cho + ch3o2 => nc4h9co + ch3o2h', [1.000000e+12, 0.0, 9500.0])
|
|
|
|
# Reaction 978
|
|
reaction('nc4h9co + ch3o2h => nc4h9cho + ch3o2', [2.500000e+10, 0.0, 10000.0])
|
|
|
|
# Reaction 979
|
|
reaction('nc4h9co => pc4h9 + co', [1.000000e+11, 0.0, 9599.9])
|
|
|
|
# Reaction 980
|
|
reaction('pc4h9 + co => nc4h9co', [1.000000e+11, 0.0, 0.0])
|
|
|
|
# Reaction 981
|
|
reaction('hoch2o => ch2o + oh', [8.545000e+13, -0.1, 17530.11])
|
|
|
|
# Reaction 982
|
|
reaction('ch2o + oh => hoch2o', [2.600000e+12, 0.0, -614.01])
|
|
|
|
# Reaction 983
|
|
reaction('hoch2o => hocho + h', [1.000000e+14, 0.0, 14900.1])
|
|
|
|
# Reaction 984
|
|
reaction('hocho + h => hoch2o', [5.917000e+11, 0.64, 12299.95])
|
|
|
|
# Reaction 985
|
|
three_body_reaction('hocho + M => co + h2o + M', [2.300000e+13, 0.0, 50000.0])
|
|
|
|
# Reaction 986
|
|
three_body_reaction('co + h2o + M => hocho + M', [1.422000e+10, 0.46, 46840.11])
|
|
|
|
# Reaction 987
|
|
three_body_reaction('hocho + M => co2 + h2 + M', [1.500000e+16, 0.0, 57000.0])
|
|
|
|
# Reaction 988
|
|
three_body_reaction('co2 + h2 + M => hocho + M', [2.399000e+14, 0.46, 61020.08])
|
|
|
|
# Reaction 989
|
|
reaction('hocho => hco + oh', [4.593000e+18, -0.46, 108299.95])
|
|
|
|
# Reaction 990
|
|
reaction('hco + oh => hocho', [1.000000e+14, 0.0, 0.0])
|
|
|
|
# Reaction 991
|
|
reaction('hocho + oh => h2o + co2 + h', [2.620000e+06, 2.06, 916.11])
|
|
|
|
# Reaction 992
|
|
reaction('h2o + co2 + h => hocho + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 993
|
|
reaction('hocho + oh => h2o + co + oh', [1.850000e+07, 1.51, -962.0])
|
|
|
|
# Reaction 994
|
|
reaction('h2o + co + oh => hocho + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 995
|
|
reaction('hocho + h => h2 + co2 + h', [4.240000e+06, 2.1, 4868.07])
|
|
|
|
# Reaction 996
|
|
reaction('h2 + co2 + h => hocho + h', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 997
|
|
reaction('hocho + h => h2 + co + oh', [6.030000e+13, -0.35, 2988.05])
|
|
|
|
# Reaction 998
|
|
reaction('h2 + co + oh => hocho + h', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 999
|
|
reaction('hocho + ch3 => ch4 + co + oh', [3.900000e-07, 5.8, 2200.05])
|
|
|
|
# Reaction 1000
|
|
reaction('ch4 + co + oh => hocho + ch3', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1001
|
|
reaction('hocho + ho2 => h2o2 + co + oh', [1.000000e+12, 0.0, 11919.93])
|
|
|
|
# Reaction 1002
|
|
reaction('h2o2 + co + oh => hocho + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1003
|
|
reaction('hocho + o => co + 2 oh', [1.770000e+18, -1.9, 2974.9])
|
|
|
|
# Reaction 1004
|
|
reaction('co + 2 oh => hocho + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1005
|
|
three_body_reaction('ch2(s) + M => ch2 + M', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1006
|
|
three_body_reaction('ch2 + M => ch2(s) + M', [7.161000e+15, -0.89, 11429.97])
|
|
|
|
# Reaction 1007
|
|
reaction('ch2(s) + ch4 => 2 ch3', [4.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1008
|
|
reaction('2 ch3 => ch2(s) + ch4', [5.429000e+15, -0.89, 15650.1])
|
|
|
|
# Reaction 1009
|
|
reaction('ch2(s) + c2h6 => ch3 + c2h5', [1.200000e+14, 0.0, 0.0])
|
|
|
|
# Reaction 1010
|
|
reaction('ch3 + c2h5 => ch2(s) + c2h6', [1.041000e+14, -0.33, 19820.03])
|
|
|
|
# Reaction 1011
|
|
reaction('ch2(s) + o2 => co + oh + h', [7.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1012
|
|
reaction('co + oh + h => ch2(s) + o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1013
|
|
reaction('ch2(s) + h2 => ch3 + h', [7.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1014
|
|
reaction('ch3 + h => ch2(s) + h2', [2.482000e+17, -0.89, 16130.02])
|
|
|
|
# Reaction 1015
|
|
reaction('ch2(s) + h => ch + h2', [3.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1016
|
|
reaction('ch + h2 => ch2(s) + h', [1.509000e+16, -0.89, 14419.93])
|
|
|
|
# Reaction 1017
|
|
reaction('ch2(s) + o => co + 2 h', [3.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1018
|
|
reaction('co + 2 h => ch2(s) + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1019
|
|
reaction('ch2(s) + oh => ch2o + h', [3.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1020
|
|
reaction('ch2o + h => ch2(s) + oh', [3.194000e+18, -0.89, 87859.94])
|
|
|
|
# Reaction 1021
|
|
reaction('ch2(s) + co2 => ch2o + co', [3.000000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1022
|
|
reaction('ch2o + co => ch2(s) + co2', [2.852000e+15, -0.89, 65520.08])
|
|
|
|
# Reaction 1023
|
|
reaction('ch2(s) + ch3 => c2h4 + h', [2.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1024
|
|
reaction('c2h4 + h => ch2(s) + ch3', [2.671000e+15, -0.06, 68840.11])
|
|
|
|
# Reaction 1025
|
|
reaction('ch2(s) + ch2co => c2h4 + co', [1.600000e+14, 0.0, 0.0])
|
|
|
|
# Reaction 1026
|
|
reaction('c2h4 + co => ch2(s) + ch2co', [4.596000e+15, -0.06, 105599.9])
|
|
|
|
# Reaction 1027
|
|
reaction('c6h13-1 + o2 => c6h12-1 + ho2', [3.000000e-19, 0.0, 3000.0])
|
|
|
|
# Reaction 1028
|
|
reaction('c6h12-1 + ho2 => c6h13-1 + o2', [2.000000e-19, 0.0, 17500.0])
|
|
|
|
# Reaction 1029
|
|
reaction('c6h13-1 => c2h4 + pc4h9', [5.446000e+17, -1.29, 29580.07])
|
|
|
|
# Reaction 1030
|
|
reaction('c2h4 + pc4h9 => c6h13-1', [3.300000e+11, 0.0, 7200.05])
|
|
|
|
# Reaction 1031
|
|
reaction('c6h13-1 => c6h12-1 + h', [2.091000e+16, -0.89, 37950.05])
|
|
|
|
# Reaction 1032
|
|
reaction('c6h12-1 + h => c6h13-1', [1.000000e+13, 0.0, 2900.1])
|
|
|
|
# Reaction 1033
|
|
reaction('c6h12-1 + oh => c6h11 + h2o', [3.000000e+13, 0.0, 1229.92])
|
|
|
|
# Reaction 1034
|
|
reaction('c6h11 + h2o => c6h12-1 + oh', [9.764000e+14, -0.13, 39260.04])
|
|
|
|
# Reaction 1035
|
|
reaction('c6h12-1 + h => c6h11 + h2', [3.700000e+13, 0.0, 3900.1])
|
|
|
|
# Reaction 1036
|
|
reaction('c6h11 + h2 => c6h12-1 + h', [2.781000e+14, -0.13, 26770.08])
|
|
|
|
# Reaction 1037
|
|
reaction('c6h12-1 + ch3 => c6h11 + ch4', [1.000000e+12, 0.0, 7299.95])
|
|
|
|
# Reaction 1038
|
|
reaction('c6h11 + ch4 => c6h12-1 + ch3', [1.964000e+14, -0.13, 30650.1])
|
|
|
|
# Reaction 1039
|
|
reaction('c6h12-1 + o => c6h11 + oh', [2.120000e+11, 0.13, 9125.0])
|
|
|
|
# Reaction 1040
|
|
reaction('c6h11 + oh => c6h12-1 + o', [7.000000e+11, 0.0, 29900.1])
|
|
|
|
# Reaction 1041
|
|
reaction('c6h12-1 + oh => c5h11-1 + ch2o', [1.000000e+11, 0.0, -4000.0])
|
|
|
|
# Reaction 1042
|
|
reaction('c5h11-1 + ch2o => c6h12-1 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1043
|
|
reaction('c6h12-1 + o => c5h11-1 + hco', [1.000000e+11, 0.0, -1049.95])
|
|
|
|
# Reaction 1044
|
|
reaction('c5h11-1 + hco => c6h12-1 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1045
|
|
reaction('c6h11 => c3h6 + c3h5-a', [2.500000e+13, 0.0, 45000.0])
|
|
|
|
# Reaction 1046
|
|
reaction('c3h6 + c3h5-a => c6h11', [1.000000e+10, 0.0, 17000.0])
|
|
|
|
# Reaction 1047
|
|
reaction('c6h11 => c4h8-1 + c2h3', [2.500000e-17, 0.0, 45000.0])
|
|
|
|
# Reaction 1048
|
|
reaction('c4h8-1 + c2h3 => c6h11', [1.500000e-20, 0.0, 7400.1])
|
|
|
|
# Reaction 1049
|
|
reaction('c6h11 => c4h7 + c2h4', [2.500000e-17, 0.0, 45000.0])
|
|
|
|
# Reaction 1050
|
|
reaction('c4h7 + c2h4 => c6h11', [1.500000e-20, 0.0, 7400.1])
|
|
|
|
# Reaction 1051
|
|
reaction('c6h12-1 => nc3h7 + c3h5-a', [1.000000e+16, 0.0, 71000.0])
|
|
|
|
# Reaction 1052
|
|
reaction('nc3h7 + c3h5-a => c6h12-1', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1053
|
|
reaction('nc7h16 => h + c7h15-1', [1.340000e+88, -21.17, 142799.95])
|
|
|
|
# Reaction 1054
|
|
reaction('h + c7h15-1 => nc7h16', [3.374000e+82, -20.22, 39609.94])
|
|
|
|
# Reaction 1055
|
|
reaction('nc7h16 => h + c7h15-2', [6.500000e+87, -21.01, 139500.0])
|
|
|
|
# Reaction 1056
|
|
reaction('h + c7h15-2 => nc7h16', [5.207000e+80, -19.67, 38890.06])
|
|
|
|
# Reaction 1057
|
|
reaction('nc7h16 => h + c7h15-3', [6.500000e+87, -21.01, 139500.0])
|
|
|
|
# Reaction 1058
|
|
reaction('h + c7h15-3 => nc7h16', [5.207000e+80, -19.67, 38890.06])
|
|
|
|
# Reaction 1059
|
|
reaction('nc7h16 => h + c7h15-4', [3.250000e+87, -21.01, 139500.0])
|
|
|
|
# Reaction 1060
|
|
reaction('h + c7h15-4 => nc7h16', [5.187000e+80, -19.67, 38890.06])
|
|
|
|
# Reaction 1061
|
|
reaction('nc7h16 => c6h13-1 + ch3', [2.925000e+73, -16.61, 118900.1])
|
|
|
|
# Reaction 1062
|
|
reaction('c6h13-1 + ch3 => nc7h16', [8.348000e+66, -15.75, 31830.07])
|
|
|
|
# Reaction 1063
|
|
reaction('nc7h16 => c5h11-1 + c2h5', [8.100000e+77, -17.62, 120400.1])
|
|
|
|
# Reaction 1064
|
|
reaction('c5h11-1 + c2h5 => nc7h16', [8.297000e+67, -16.05, 32349.9])
|
|
|
|
# Reaction 1065
|
|
reaction('nc7h16 => pc4h9 + nc3h7', [1.415000e+78, -17.71, 120700.05])
|
|
|
|
# Reaction 1066
|
|
reaction('pc4h9 + nc3h7 => nc7h16', [1.363000e+68, -16.11, 32460.09])
|
|
|
|
# Reaction 1067
|
|
reaction('nc7h16 + h => c7h15-1 + h2', [1.880000e+05, 2.75, 6280.11])
|
|
|
|
# Reaction 1068
|
|
reaction('c7h15-1 + h2 => nc7h16 + h', [8.926000e+03, 2.7, 10549.95])
|
|
|
|
# Reaction 1069
|
|
reaction('nc7h16 + h => c7h15-2 + h2', [2.600000e+06, 2.4, 4471.08])
|
|
|
|
# Reaction 1070
|
|
reaction('c7h15-2 + h2 => nc7h16 + h', [3.928000e+03, 2.74, 11260.04])
|
|
|
|
# Reaction 1071
|
|
reaction('nc7h16 + h => c7h15-3 + h2', [2.600000e+06, 2.4, 4471.08])
|
|
|
|
# Reaction 1072
|
|
reaction('c7h15-3 + h2 => nc7h16 + h', [3.928000e+03, 2.74, 11260.04])
|
|
|
|
# Reaction 1073
|
|
reaction('nc7h16 + h => c7h15-4 + h2', [1.300000e+06, 2.4, 4471.08])
|
|
|
|
# Reaction 1074
|
|
reaction('c7h15-4 + h2 => nc7h16 + h', [3.913000e+03, 2.74, 11260.04])
|
|
|
|
# Reaction 1075
|
|
reaction('nc7h16 + o => c7h15-1 + oh', [1.930000e+05, 2.68, 3716.06])
|
|
|
|
# Reaction 1076
|
|
reaction('c7h15-1 + oh => nc7h16 + o', [4.025000e+03, 2.63, 5892.93])
|
|
|
|
# Reaction 1077
|
|
reaction('nc7h16 + o => c7h15-2 + oh', [9.540000e+04, 2.71, 2106.12])
|
|
|
|
# Reaction 1078
|
|
reaction('c7h15-2 + oh => nc7h16 + o', [6.330000e+01, 3.05, 6798.04])
|
|
|
|
# Reaction 1079
|
|
reaction('nc7h16 + o => c7h15-3 + oh', [9.540000e+04, 2.71, 2106.12])
|
|
|
|
# Reaction 1080
|
|
reaction('c7h15-3 + oh => nc7h16 + o', [6.330000e+01, 3.05, 6798.04])
|
|
|
|
# Reaction 1081
|
|
reaction('nc7h16 + o => c7h15-4 + oh', [4.770000e+04, 2.71, 2106.12])
|
|
|
|
# Reaction 1082
|
|
reaction('c7h15-4 + oh => nc7h16 + o', [6.306000e+01, 3.05, 6798.04])
|
|
|
|
# Reaction 1083
|
|
reaction('nc7h16 + oh => c7h15-1 + h2o', [1.050000e+10, 0.97, 1590.11])
|
|
|
|
# Reaction 1084
|
|
reaction('c7h15-1 + h2o => nc7h16 + oh', [1.500000e+10, 1.05, 23330.07])
|
|
|
|
# Reaction 1085
|
|
reaction('nc7h16 + oh => c7h15-2 + h2o', [9.400000e+07, 1.61, -34.89])
|
|
|
|
# Reaction 1086
|
|
reaction('c7h15-2 + h2o => nc7h16 + oh', [6.148000e+05, 1.95, 21909.89])
|
|
|
|
# Reaction 1087
|
|
reaction('nc7h16 + oh => c7h15-3 + h2o', [9.400000e+07, 1.61, -34.89])
|
|
|
|
# Reaction 1088
|
|
reaction('c7h15-3 + h2o => nc7h16 + oh', [6.148000e+05, 1.95, 21909.89])
|
|
|
|
# Reaction 1089
|
|
reaction('nc7h16 + oh => c7h15-4 + h2o', [4.700000e+07, 1.61, -34.89])
|
|
|
|
# Reaction 1090
|
|
reaction('c7h15-4 + h2o => nc7h16 + oh', [6.125000e+05, 1.95, 21909.89])
|
|
|
|
# Reaction 1091
|
|
reaction('nc7h16 + ho2 => c7h15-1 + h2o2', [1.680000e+13, 0.0, 20440.01])
|
|
|
|
# Reaction 1092
|
|
reaction('c7h15-1 + h2o2 => nc7h16 + ho2', [2.050000e+13, -0.38, 8398.9])
|
|
|
|
# Reaction 1093
|
|
reaction('nc7h16 + ho2 => c7h15-2 + h2o2', [1.120000e+13, 0.0, 17690.01])
|
|
|
|
# Reaction 1094
|
|
reaction('c7h15-2 + h2o2 => nc7h16 + ho2', [4.348000e+11, 0.01, 8164.91])
|
|
|
|
# Reaction 1095
|
|
reaction('nc7h16 + ho2 => c7h15-3 + h2o2', [1.120000e+13, 0.0, 17690.01])
|
|
|
|
# Reaction 1096
|
|
reaction('c7h15-3 + h2o2 => nc7h16 + ho2', [4.348000e+11, 0.01, 8164.91])
|
|
|
|
# Reaction 1097
|
|
reaction('nc7h16 + ho2 => c7h15-4 + h2o2', [5.600000e+12, 0.0, 17690.01])
|
|
|
|
# Reaction 1098
|
|
reaction('c7h15-4 + h2o2 => nc7h16 + ho2', [4.332000e+11, 0.01, 8164.91])
|
|
|
|
# Reaction 1099
|
|
reaction('nc7h16 + ch3 => c7h15-1 + ch4', [9.040000e-01, 3.65, 7153.92])
|
|
|
|
# Reaction 1100
|
|
reaction('c7h15-1 + ch4 => nc7h16 + ch3', [1.121000e+00, 3.6, 11909.89])
|
|
|
|
# Reaction 1101
|
|
reaction('nc7h16 + ch3 => c7h15-2 + ch4', [5.410000e+04, 2.26, 7287.05])
|
|
|
|
# Reaction 1102
|
|
reaction('c7h15-2 + ch4 => nc7h16 + ch3', [2.135000e+03, 2.6, 14549.95])
|
|
|
|
# Reaction 1103
|
|
reaction('nc7h16 + ch3 => c7h15-3 + ch4', [5.410000e+04, 2.26, 7287.05])
|
|
|
|
# Reaction 1104
|
|
reaction('c7h15-3 + ch4 => nc7h16 + ch3', [2.135000e+03, 2.6, 14549.95])
|
|
|
|
# Reaction 1105
|
|
reaction('nc7h16 + ch3 => c7h15-4 + ch4', [2.705000e+04, 2.26, 7287.05])
|
|
|
|
# Reaction 1106
|
|
reaction('c7h15-4 + ch4 => nc7h16 + ch3', [2.127000e+03, 2.6, 14549.95])
|
|
|
|
# Reaction 1107
|
|
reaction('nc7h16 + o2 => c7h15-1 + ho2', [6.000000e+13, 0.0, 52799.95])
|
|
|
|
# Reaction 1108
|
|
reaction('c7h15-1 + ho2 => nc7h16 + o2', [5.175000e+10, 0.28, -406.07])
|
|
|
|
# Reaction 1109
|
|
reaction('nc7h16 + o2 => c7h15-2 + ho2', [4.000000e+13, 0.0, 50150.1])
|
|
|
|
# Reaction 1110
|
|
reaction('c7h15-2 + ho2 => nc7h16 + o2', [1.098000e+09, 0.67, -541.11])
|
|
|
|
# Reaction 1111
|
|
reaction('nc7h16 + o2 => c7h15-3 + ho2', [4.000000e+13, 0.0, 50150.1])
|
|
|
|
# Reaction 1112
|
|
reaction('c7h15-3 + ho2 => nc7h16 + o2', [1.098000e+09, 0.67, -541.11])
|
|
|
|
# Reaction 1113
|
|
reaction('nc7h16 + o2 => c7h15-4 + ho2', [2.000000e+13, 0.0, 50150.1])
|
|
|
|
# Reaction 1114
|
|
reaction('c7h15-4 + ho2 => nc7h16 + o2', [1.094000e+09, 0.67, -541.11])
|
|
|
|
# Reaction 1115
|
|
reaction('nc7h16 + c2h5 => c7h15-1 + c2h6', [1.000000e+11, 0.0, 13400.1])
|
|
|
|
# Reaction 1116
|
|
reaction('c7h15-1 + c2h6 => nc7h16 + c2h5', [3.200000e+11, 0.0, 12299.95])
|
|
|
|
# Reaction 1117
|
|
reaction('nc7h16 + c2h5 => c7h15-2 + c2h6', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 1118
|
|
reaction('c7h15-2 + c2h6 => nc7h16 + c2h5', [1.000000e+11, 0.0, 12900.1])
|
|
|
|
# Reaction 1119
|
|
reaction('nc7h16 + c2h5 => c7h15-3 + c2h6', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 1120
|
|
reaction('c7h15-3 + c2h6 => nc7h16 + c2h5', [1.000000e+11, 0.0, 12900.1])
|
|
|
|
# Reaction 1121
|
|
reaction('nc7h16 + c2h5 => c7h15-4 + c2h6', [5.000000e+10, 0.0, 10400.1])
|
|
|
|
# Reaction 1122
|
|
reaction('c7h15-4 + c2h6 => nc7h16 + c2h5', [1.000000e+11, 0.0, 12900.1])
|
|
|
|
# Reaction 1123
|
|
reaction('nc7h16 + ch3o => c7h15-1 + ch3oh', [3.160000e+11, 0.0, 7000.0])
|
|
|
|
# Reaction 1124
|
|
reaction('c7h15-1 + ch3oh => nc7h16 + ch3o', [1.200000e+10, 0.0, 9200.05])
|
|
|
|
# Reaction 1125
|
|
reaction('nc7h16 + ch3o => c7h15-2 + ch3oh', [2.190000e+11, 0.0, 5000.0])
|
|
|
|
# Reaction 1126
|
|
reaction('c7h15-2 + ch3oh => nc7h16 + ch3o', [8.900000e+09, 0.0, 7200.05])
|
|
|
|
# Reaction 1127
|
|
reaction('nc7h16 + ch3o => c7h15-3 + ch3oh', [2.190000e+11, 0.0, 5000.0])
|
|
|
|
# Reaction 1128
|
|
reaction('c7h15-3 + ch3oh => nc7h16 + ch3o', [8.900000e+09, 0.0, 7200.05])
|
|
|
|
# Reaction 1129
|
|
reaction('nc7h16 + ch3o => c7h15-4 + ch3oh', [1.095000e+11, 0.0, 5000.0])
|
|
|
|
# Reaction 1130
|
|
reaction('c7h15-4 + ch3oh => nc7h16 + ch3o', [8.900000e+09, 0.0, 7200.05])
|
|
|
|
# Reaction 1131
|
|
reaction('nc7h16 + c2h3 => c7h15-1 + c2h4', [1.000000e+12, 0.0, 18000.0])
|
|
|
|
# Reaction 1132
|
|
reaction('c7h15-1 + c2h4 => nc7h16 + c2h3', [2.570000e+12, 0.0, 25400.1])
|
|
|
|
# Reaction 1133
|
|
reaction('nc7h16 + c2h3 => c7h15-2 + c2h4', [8.000000e+11, 0.0, 16799.95])
|
|
|
|
# Reaction 1134
|
|
reaction('c7h15-2 + c2h4 => nc7h16 + c2h3', [2.000000e+12, 0.0, 24200.05])
|
|
|
|
# Reaction 1135
|
|
reaction('nc7h16 + c2h3 => c7h15-3 + c2h4', [8.000000e+11, 0.0, 16799.95])
|
|
|
|
# Reaction 1136
|
|
reaction('c7h15-3 + c2h4 => nc7h16 + c2h3', [2.000000e+12, 0.0, 24200.05])
|
|
|
|
# Reaction 1137
|
|
reaction('nc7h16 + c2h3 => c7h15-4 + c2h4', [4.000000e+11, 0.0, 16799.95])
|
|
|
|
# Reaction 1138
|
|
reaction('c7h15-4 + c2h4 => nc7h16 + c2h3', [2.000000e+12, 0.0, 24200.05])
|
|
|
|
# Reaction 1139
|
|
reaction('nc7h16 + ch3o2 => c7h15-1 + ch3o2h', [1.210000e+13, 0.0, 20429.97])
|
|
|
|
# Reaction 1140
|
|
reaction('c7h15-1 + ch3o2h => nc7h16 + ch3o2', [3.600000e+12, 0.0, 9799.95])
|
|
|
|
# Reaction 1141
|
|
reaction('nc7h16 + ch3o2 => c7h15-2 + ch3o2h', [8.064000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1142
|
|
reaction('c7h15-2 + ch3o2h => nc7h16 + ch3o2', [2.376000e+11, 0.0, 3700.05])
|
|
|
|
# Reaction 1143
|
|
reaction('nc7h16 + ch3o2 => c7h15-3 + ch3o2h', [8.064000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1144
|
|
reaction('c7h15-3 + ch3o2h => nc7h16 + ch3o2', [2.376000e+11, 0.0, 3700.05])
|
|
|
|
# Reaction 1145
|
|
reaction('nc7h16 + ch3o2 => c7h15-4 + ch3o2h', [4.032000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1146
|
|
reaction('c7h15-4 + ch3o2h => nc7h16 + ch3o2', [2.376000e+11, 0.0, 3700.05])
|
|
|
|
# Reaction 1147
|
|
reaction('nc7h16 + c7h15o2-1 => c7h15-1 + c7h15o2h-1', [1.210000e+13, 0.0, 20429.97])
|
|
|
|
# Reaction 1148
|
|
reaction('c7h15-1 + c7h15o2h-1 => nc7h16 + c7h15o2-1', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1149
|
|
reaction('nc7h16 + c7h15o2-2 => c7h15-1 + c7h15o2h-2', [1.210000e+13, 0.0, 20429.97])
|
|
|
|
# Reaction 1150
|
|
reaction('c7h15-1 + c7h15o2h-2 => nc7h16 + c7h15o2-2', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1151
|
|
reaction('nc7h16 + c7h15o2-3 => c7h15-1 + c7h15o2h-3', [1.210000e+13, 0.0, 20429.97])
|
|
|
|
# Reaction 1152
|
|
reaction('c7h15-1 + c7h15o2h-3 => nc7h16 + c7h15o2-3', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1153
|
|
reaction('nc7h16 + c7h15o2-1 => c7h15-2 + c7h15o2h-1', [8.064000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1154
|
|
reaction('c7h15-2 + c7h15o2h-1 => nc7h16 + c7h15o2-1', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1155
|
|
reaction('nc7h16 + c7h15o2-2 => c7h15-2 + c7h15o2h-2', [8.064000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1156
|
|
reaction('c7h15-2 + c7h15o2h-2 => nc7h16 + c7h15o2-2', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1157
|
|
reaction('nc7h16 + c7h15o2-3 => c7h15-2 + c7h15o2h-3', [8.064000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1158
|
|
reaction('c7h15-2 + c7h15o2h-3 => nc7h16 + c7h15o2-3', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1159
|
|
reaction('nc7h16 + c7h15o2-1 => c7h15-3 + c7h15o2h-1', [8.064000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1160
|
|
reaction('c7h15-3 + c7h15o2h-1 => nc7h16 + c7h15o2-1', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1161
|
|
reaction('nc7h16 + c7h15o2-2 => c7h15-3 + c7h15o2h-2', [8.064000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1162
|
|
reaction('c7h15-3 + c7h15o2h-2 => nc7h16 + c7h15o2-2', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1163
|
|
reaction('nc7h16 + c7h15o2-3 => c7h15-3 + c7h15o2h-3', [8.064000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1164
|
|
reaction('c7h15-3 + c7h15o2h-3 => nc7h16 + c7h15o2-3', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1165
|
|
reaction('nc7h16 + c7h15o2-1 => c7h15-4 + c7h15o2h-1', [4.032000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1166
|
|
reaction('c7h15-4 + c7h15o2h-1 => nc7h16 + c7h15o2-1', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1167
|
|
reaction('nc7h16 + c7h15o2-2 => c7h15-4 + c7h15o2h-2', [4.032000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1168
|
|
reaction('c7h15-4 + c7h15o2h-2 => nc7h16 + c7h15o2-2', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1169
|
|
reaction('nc7h16 + c7h15o2-3 => c7h15-4 + c7h15o2h-3', [4.032000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1170
|
|
reaction('c7h15-4 + c7h15o2h-3 => nc7h16 + c7h15o2-3', [1.440000e+10, 0.0, 15000.0])
|
|
|
|
# Reaction 1171
|
|
reaction('nc7h16 + c7h15-1 => c7h15-2 + nc7h16', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 1172
|
|
reaction('c7h15-2 + nc7h16 => nc7h16 + c7h15-1', [1.500000e+11, 0.0, 12299.95])
|
|
|
|
# Reaction 1173
|
|
reaction('nc7h16 + c7h15-1 => c7h15-3 + nc7h16', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 1174
|
|
reaction('c7h15-3 + nc7h16 => nc7h16 + c7h15-1', [1.500000e+11, 0.0, 12299.95])
|
|
|
|
# Reaction 1175
|
|
reaction('nc7h16 + c7h15-1 => c7h15-4 + nc7h16', [5.000000e+10, 0.0, 10400.1])
|
|
|
|
# Reaction 1176
|
|
reaction('c7h15-4 + nc7h16 => nc7h16 + c7h15-1', [1.500000e+11, 0.0, 12299.95])
|
|
|
|
# Reaction 1177
|
|
reaction('nc7h16 + c7h15-2 => c7h15-3 + nc7h16', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 1178
|
|
reaction('c7h15-3 + nc7h16 => nc7h16 + c7h15-2', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 1179
|
|
reaction('nc7h16 + c7h15-2 => c7h15-4 + nc7h16', [5.000000e+10, 0.0, 10400.1])
|
|
|
|
# Reaction 1180
|
|
reaction('c7h15-4 + nc7h16 => nc7h16 + c7h15-2', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 1181
|
|
reaction('nc7h16 + c7h15-3 => c7h15-4 + nc7h16', [5.000000e+10, 0.0, 10400.1])
|
|
|
|
# Reaction 1182
|
|
reaction('c7h15-4 + nc7h16 => nc7h16 + c7h15-3', [1.000000e+11, 0.0, 10400.1])
|
|
|
|
# Reaction 1183
|
|
reaction('c7h15-1 => c5h11-1 + c2h4', [8.157000e+17, -1.42, 30840.11])
|
|
|
|
# Reaction 1184
|
|
reaction('c5h11-1 + c2h4 => c7h15-1', [1.000000e+11, 0.0, 8200.05])
|
|
|
|
# Reaction 1185
|
|
reaction('c7h15-1 => c7h14-1 + h', [4.204000e+16, -0.94, 37940.01])
|
|
|
|
# Reaction 1186
|
|
reaction('c7h14-1 + h => c7h15-1', [1.000000e+13, 0.0, 2900.1])
|
|
|
|
# Reaction 1187
|
|
reaction('c7h15-2 => pc4h9 + c3h6', [2.218000e+16, -0.89, 30130.02])
|
|
|
|
# Reaction 1188
|
|
reaction('pc4h9 + c3h6 => c7h15-2', [1.000000e+11, 0.0, 8200.05])
|
|
|
|
# Reaction 1189
|
|
reaction('c7h15-2 => c7h14-1 + h', [1.338000e+15, -0.55, 38760.04])
|
|
|
|
# Reaction 1190
|
|
reaction('c7h14-1 + h => c7h15-2', [1.000000e+13, 0.0, 1200.05])
|
|
|
|
# Reaction 1191
|
|
reaction('c7h15-2 => c7h14-2 + h', [2.710000e+15, -0.72, 37590.11])
|
|
|
|
# Reaction 1192
|
|
reaction('c7h14-2 + h => c7h15-2', [1.000000e+13, 0.0, 2900.1])
|
|
|
|
# Reaction 1193
|
|
reaction('c7h15-3 => c4h8-1 + nc3h7', [3.288000e+11, 0.19, 22909.89])
|
|
|
|
# Reaction 1194
|
|
reaction('c4h8-1 + nc3h7 => c7h15-3', [1.000000e+11, 0.0, 7700.05])
|
|
|
|
# Reaction 1195
|
|
reaction('c7h15-3 => c6h12-1 + ch3', [1.027000e+14, -0.42, 28690.01])
|
|
|
|
# Reaction 1196
|
|
reaction('c6h12-1 + ch3 => c7h15-3', [1.750000e+11, 0.0, 7200.05])
|
|
|
|
# Reaction 1197
|
|
reaction('c7h15-3 => c7h14-2 + h', [2.710000e+15, -0.72, 37590.11])
|
|
|
|
# Reaction 1198
|
|
reaction('c7h14-2 + h => c7h15-3', [1.000000e+13, 0.0, 2900.1])
|
|
|
|
# Reaction 1199
|
|
reaction('c7h15-3 => c7h14-3 + h', [2.018000e+15, -0.66, 37679.97])
|
|
|
|
# Reaction 1200
|
|
reaction('c7h14-3 + h => c7h15-3', [1.000000e+13, 0.0, 2900.1])
|
|
|
|
# Reaction 1201
|
|
reaction('c7h15-4 => c2h5 + c5h10-1', [5.426000e+16, -0.89, 30590.11])
|
|
|
|
# Reaction 1202
|
|
reaction('c2h5 + c5h10-1 => c7h15-4', [1.000000e+11, 0.0, 8200.05])
|
|
|
|
# Reaction 1203
|
|
reaction('c7h15-4 => c7h14-3 + h', [4.020000e+15, -0.66, 37679.97])
|
|
|
|
# Reaction 1204
|
|
reaction('c7h14-3 + h => c7h15-4', [1.000000e+13, 0.0, 2900.1])
|
|
|
|
# Reaction 1205
|
|
reaction('c7h15-1 + o2 => c7h14-1 + ho2', [3.000000e-09, 0.0, 3000.0])
|
|
|
|
# Reaction 1206
|
|
reaction('c7h14-1 + ho2 => c7h15-1 + o2', [2.445000e-10, 0.27, 17919.93])
|
|
|
|
# Reaction 1207
|
|
reaction('c7h15-2 + o2 => c7h14-1 + ho2', [4.500000e-09, 0.0, 5020.08])
|
|
|
|
# Reaction 1208
|
|
reaction('c7h14-1 + ho2 => c7h15-2 + o2', [1.153000e-08, -0.13, 17419.93])
|
|
|
|
# Reaction 1209
|
|
reaction('c7h15-2 + o2 => c7h14-2 + ho2', [3.000000e-09, 0.0, 3000.0])
|
|
|
|
# Reaction 1210
|
|
reaction('c7h14-2 + ho2 => c7h15-2 + o2', [3.793000e-09, 0.05, 18270.08])
|
|
|
|
# Reaction 1211
|
|
reaction('c7h15-3 + o2 => c7h14-2 + ho2', [3.000000e-09, 0.0, 3000.0])
|
|
|
|
# Reaction 1212
|
|
reaction('c7h14-2 + ho2 => c7h15-3 + o2', [3.793000e-09, 0.05, 18270.08])
|
|
|
|
# Reaction 1213
|
|
reaction('c7h15-3 + o2 => c7h14-3 + ho2', [3.000000e-09, 0.0, 3000.0])
|
|
|
|
# Reaction 1214
|
|
reaction('c7h14-3 + ho2 => c7h15-3 + o2', [5.094000e-09, -0.01, 18179.97])
|
|
|
|
# Reaction 1215
|
|
reaction('c7h15-4 + o2 => c7h14-3 + ho2', [6.000000e-09, 0.0, 3000.0])
|
|
|
|
# Reaction 1216
|
|
reaction('c7h14-3 + ho2 => c7h15-4 + o2', [5.113000e-09, -0.01, 18179.97])
|
|
|
|
# Reaction 1217
|
|
reaction('c7h15-1 => c7h15-3', [1.386000e+09, 0.98, 33760.04])
|
|
|
|
# Reaction 1218
|
|
reaction('c7h15-3 => c7h15-1', [4.410000e+07, 1.38, 36280.11])
|
|
|
|
# Reaction 1219
|
|
reaction('c7h15-1 => c7h15-4', [2.541000e+09, 0.35, 19760.04])
|
|
|
|
# Reaction 1220
|
|
reaction('c7h15-4 => c7h15-1', [1.611000e+08, 0.74, 22280.11])
|
|
|
|
# Reaction 1221
|
|
reaction('c7h15-2 => c7h15-3', [9.587000e+08, 1.39, 39700.05])
|
|
|
|
# Reaction 1222
|
|
reaction('c7h15-3 => c7h15-2', [9.587000e+08, 1.39, 39700.05])
|
|
|
|
# Reaction 1223
|
|
reaction('c7h15-1 => c7h15-2', [5.478000e+08, 1.62, 38760.04])
|
|
|
|
# Reaction 1224
|
|
reaction('c7h15-2 => c7h15-1', [1.743000e+07, 2.01, 41280.11])
|
|
|
|
# Reaction 1225
|
|
reaction('c7h14-1 + oh => c7h13 + h2o', [3.000000e+13, 0.0, 1229.92])
|
|
|
|
# Reaction 1226
|
|
reaction('c7h13 + h2o => c7h14-1 + oh', [7.917000e+14, -0.46, 36479.92])
|
|
|
|
# Reaction 1227
|
|
reaction('c7h14-2 + oh => c7h13 + h2o', [3.000000e+13, 0.0, 1229.92])
|
|
|
|
# Reaction 1228
|
|
reaction('c7h13 + h2o => c7h14-2 + oh', [1.604000e+15, -0.63, 33609.94])
|
|
|
|
# Reaction 1229
|
|
reaction('c7h14-3 + oh => c7h13 + h2o', [3.000000e+13, 0.0, 1229.92])
|
|
|
|
# Reaction 1230
|
|
reaction('c7h13 + h2o => c7h14-3 + oh', [1.194000e+15, -0.57, 33700.05])
|
|
|
|
# Reaction 1231
|
|
reaction('c7h14-1 + h => c7h13 + h2', [3.700000e+13, 0.0, 3900.1])
|
|
|
|
# Reaction 1232
|
|
reaction('c7h13 + h2 => c7h14-1 + h', [2.255000e+14, -0.46, 23989.96])
|
|
|
|
# Reaction 1233
|
|
reaction('c7h14-2 + h => c7h13 + h2', [3.700000e+13, 0.0, 3900.1])
|
|
|
|
# Reaction 1234
|
|
reaction('c7h13 + h2 => c7h14-2 + h', [4.569000e+14, -0.63, 21119.98])
|
|
|
|
# Reaction 1235
|
|
reaction('c7h14-3 + h => c7h13 + h2', [3.700000e+13, 0.0, 3900.1])
|
|
|
|
# Reaction 1236
|
|
reaction('c7h13 + h2 => c7h14-3 + h', [3.402000e+14, -0.57, 21210.09])
|
|
|
|
# Reaction 1237
|
|
reaction('c7h14-1 + ch3 => c7h13 + ch4', [1.000000e+12, 0.0, 7299.95])
|
|
|
|
# Reaction 1238
|
|
reaction('c7h13 + ch4 => c7h14-1 + ch3', [1.592000e+14, -0.46, 27869.98])
|
|
|
|
# Reaction 1239
|
|
reaction('c7h14-2 + ch3 => c7h13 + ch4', [1.000000e+12, 0.0, 7299.95])
|
|
|
|
# Reaction 1240
|
|
reaction('c7h13 + ch4 => c7h14-2 + ch3', [3.226000e+14, -0.63, 25000.0])
|
|
|
|
# Reaction 1241
|
|
reaction('c7h14-3 + ch3 => c7h13 + ch4', [1.000000e+12, 0.0, 7299.95])
|
|
|
|
# Reaction 1242
|
|
reaction('c7h13 + ch4 => c7h14-3 + ch3', [2.402000e+14, -0.57, 25090.11])
|
|
|
|
# Reaction 1243
|
|
reaction('c7h14-1 + o => c7h13 + oh', [2.615000e+11, 0.46, 11909.89])
|
|
|
|
# Reaction 1244
|
|
reaction('c7h13 + oh => c7h14-1 + o', [7.000000e+11, 0.0, 29900.1])
|
|
|
|
# Reaction 1245
|
|
reaction('c7h14-2 + o => c7h13 + oh', [1.291000e+11, 0.63, 14780.11])
|
|
|
|
# Reaction 1246
|
|
reaction('c7h13 + oh => c7h14-2 + o', [7.000000e+11, 0.0, 29900.1])
|
|
|
|
# Reaction 1247
|
|
reaction('c7h14-3 + o => c7h13 + oh', [1.734000e+11, 0.57, 14690.01])
|
|
|
|
# Reaction 1248
|
|
reaction('c7h13 + oh => c7h14-3 + o', [7.000000e+11, 0.0, 29900.1])
|
|
|
|
# Reaction 1249
|
|
reaction('c7h14-1 + oh => ch2o + c6h13-1', [1.000000e+11, 0.0, -4000.0])
|
|
|
|
# Reaction 1250
|
|
reaction('ch2o + c6h13-1 => c7h14-1 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1251
|
|
reaction('c7h14-1 + oh => ch3cho + c5h11-1', [1.000000e+11, 0.0, -4000.0])
|
|
|
|
# Reaction 1252
|
|
reaction('ch3cho + c5h11-1 => c7h14-1 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1253
|
|
reaction('c7h14-2 + oh => ch3cho + c5h11-1', [1.000000e+11, 0.0, -4000.0])
|
|
|
|
# Reaction 1254
|
|
reaction('ch3cho + c5h11-1 => c7h14-2 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1255
|
|
reaction('c7h14-2 + oh => c2h5cho + pc4h9', [1.000000e+11, 0.0, -4000.0])
|
|
|
|
# Reaction 1256
|
|
reaction('c2h5cho + pc4h9 => c7h14-2 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1257
|
|
reaction('c7h14-3 + oh => c2h5cho + pc4h9', [1.000000e+11, 0.0, -4000.0])
|
|
|
|
# Reaction 1258
|
|
reaction('c2h5cho + pc4h9 => c7h14-3 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1259
|
|
reaction('c7h14-1 + o => ch2cho + c5h11-1', [1.000000e+11, 0.0, -1049.95])
|
|
|
|
# Reaction 1260
|
|
reaction('ch2cho + c5h11-1 => c7h14-1 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1261
|
|
reaction('c7h14-2 + o => ch3cho + c5h10-1', [1.000000e+11, 0.0, -1049.95])
|
|
|
|
# Reaction 1262
|
|
reaction('ch3cho + c5h10-1 => c7h14-2 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1263
|
|
reaction('c7h14-3 + o => ch3cho + c5h10-1', [1.000000e+11, 0.0, -1049.95])
|
|
|
|
# Reaction 1264
|
|
reaction('ch3cho + c5h10-1 => c7h14-3 + o', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1265
|
|
reaction('c7h13 => c3h5-a + c4h8-1', [2.500000e+13, 0.0, 45000.0])
|
|
|
|
# Reaction 1266
|
|
reaction('c3h5-a + c4h8-1 => c7h13', [1.000000e+13, 0.0, 9599.9])
|
|
|
|
# Reaction 1267
|
|
reaction('c7h13 => c4h7 + c3h6', [2.500000e+13, 0.0, 45000.0])
|
|
|
|
# Reaction 1268
|
|
reaction('c4h7 + c3h6 => c7h13', [1.000000e+13, 0.0, 9599.9])
|
|
|
|
# Reaction 1269
|
|
reaction('c7h14-1 => pc4h9 + c3h5-a', [1.000000e+16, 0.0, 71000.0])
|
|
|
|
# Reaction 1270
|
|
reaction('pc4h9 + c3h5-a => c7h14-1', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1271
|
|
reaction('c7h14-2 => c4h7 + nc3h7', [1.000000e+16, 0.0, 71000.0])
|
|
|
|
# Reaction 1272
|
|
reaction('c4h7 + nc3h7 => c7h14-2', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1273
|
|
reaction('c7h14-3 => c4h7 + nc3h7', [1.000000e+16, 0.0, 71000.0])
|
|
|
|
# Reaction 1274
|
|
reaction('c4h7 + nc3h7 => c7h14-3', [1.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1275
|
|
reaction('c7h15o2-1 => c7h15-1 + o2', [2.223000e+19, -1.45, 36090.11])
|
|
|
|
# Reaction 1276
|
|
reaction('c7h15-1 + o2 => c7h15o2-1', [4.520000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1277
|
|
reaction('c7h15o2-2 => c7h15-2 + o2', [9.879000e+21, -1.97, 37859.94])
|
|
|
|
# Reaction 1278
|
|
reaction('c7h15-2 + o2 => c7h15o2-2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1279
|
|
reaction('c7h15o2-3 => c7h15-3 + o2', [9.879000e+21, -1.97, 37859.94])
|
|
|
|
# Reaction 1280
|
|
reaction('c7h15-3 + o2 => c7h15o2-3', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1281
|
|
reaction('c7h15o2-4 => c7h15-4 + o2', [9.879000e+21, -1.97, 37859.94])
|
|
|
|
# Reaction 1282
|
|
reaction('c7h15-4 + o2 => c7h15o2-4', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1283
|
|
reaction('c7h15-1 + c7h15o2-1 => 2 c7h15o-1', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1284
|
|
reaction('2 c7h15o-1 => c7h15-1 + c7h15o2-1', [6.650000e+14, -0.4, 29570.03])
|
|
|
|
# Reaction 1285
|
|
reaction('c7h15-1 + c7h15o2-2 => c7h15o-1 + c7h15o-2', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1286
|
|
reaction('c7h15o-1 + c7h15o-2 => c7h15-1 + c7h15o2-2', [4.347000e+14, -0.5, 29700.05])
|
|
|
|
# Reaction 1287
|
|
reaction('c7h15-1 + c7h15o2-3 => c7h15o-1 + c7h15o-3', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1288
|
|
reaction('c7h15o-1 + c7h15o-3 => c7h15-1 + c7h15o2-3', [4.347000e+14, -0.5, 29700.05])
|
|
|
|
# Reaction 1289
|
|
reaction('c7h15-2 + c7h15o2-1 => c7h15o-2 + c7h15o-1', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1290
|
|
reaction('c7h15o-2 + c7h15o-1 => c7h15-2 + c7h15o2-1', [1.158000e+17, -1.02, 31469.89])
|
|
|
|
# Reaction 1291
|
|
reaction('c7h15-2 + c7h15o2-2 => 2 c7h15o-2', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1292
|
|
reaction('2 c7h15o-2 => c7h15-2 + c7h15o2-2', [7.570000e+16, -1.12, 31599.9])
|
|
|
|
# Reaction 1293
|
|
reaction('c7h15-2 + c7h15o2-3 => c7h15o-2 + c7h15o-3', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1294
|
|
reaction('c7h15o-2 + c7h15o-3 => c7h15-2 + c7h15o2-3', [7.570000e+16, -1.12, 31599.9])
|
|
|
|
# Reaction 1295
|
|
reaction('c7h15-3 + c7h15o2-1 => c7h15o-3 + c7h15o-1', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1296
|
|
reaction('c7h15o-3 + c7h15o-1 => c7h15-3 + c7h15o2-1', [1.158000e+17, -1.02, 31469.89])
|
|
|
|
# Reaction 1297
|
|
reaction('c7h15-3 + c7h15o2-2 => c7h15o-3 + c7h15o-2', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1298
|
|
reaction('c7h15o-3 + c7h15o-2 => c7h15-3 + c7h15o2-2', [7.570000e+16, -1.12, 31599.9])
|
|
|
|
# Reaction 1299
|
|
reaction('c7h15-3 + c7h15o2-3 => 2 c7h15o-3', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1300
|
|
reaction('2 c7h15o-3 => c7h15-3 + c7h15o2-3', [7.570000e+16, -1.12, 31599.9])
|
|
|
|
# Reaction 1301
|
|
reaction('c7h15o2-1 => c7h14ooh1-2', [2.000000e+11, 0.0, 26849.9])
|
|
|
|
# Reaction 1302
|
|
reaction('c7h14ooh1-2 => c7h15o2-1', [1.784000e+10, -0.09, 14210.09])
|
|
|
|
# Reaction 1303
|
|
reaction('c7h15o2-1 => c7h14ooh1-3', [2.500000e+10, 0.0, 20849.9])
|
|
|
|
# Reaction 1304
|
|
reaction('c7h14ooh1-3 => c7h15o2-1', [2.230000e+09, -0.09, 8210.09])
|
|
|
|
# Reaction 1305
|
|
reaction('c7h15o2-1 => c7h14ooh1-4', [3.125000e+09, 0.0, 19049.95])
|
|
|
|
# Reaction 1306
|
|
reaction('c7h14ooh1-4 => c7h15o2-1', [2.787000e+08, -0.09, 6409.89])
|
|
|
|
# Reaction 1307
|
|
reaction('c7h15o2-2 => c7h14ooh2-3', [2.000000e+11, 0.0, 26849.9])
|
|
|
|
# Reaction 1308
|
|
reaction('c7h14ooh2-3 => c7h15o2-2', [1.715000e+10, -0.08, 14210.09])
|
|
|
|
# Reaction 1309
|
|
reaction('c7h15o2-2 => c7h14ooh2-4', [2.500000e+10, 0.0, 20849.9])
|
|
|
|
# Reaction 1310
|
|
reaction('c7h14ooh2-4 => c7h15o2-2', [2.143000e+09, -0.08, 8210.09])
|
|
|
|
# Reaction 1311
|
|
reaction('c7h15o2-2 => c7h14ooh2-5', [3.125000e+09, 0.0, 19049.95])
|
|
|
|
# Reaction 1312
|
|
reaction('c7h14ooh2-5 => c7h15o2-2', [2.679000e+08, -0.08, 6409.89])
|
|
|
|
# Reaction 1313
|
|
reaction('c7h15o2-3 => c7h14ooh3-1', [3.750000e+10, 0.0, 24400.1])
|
|
|
|
# Reaction 1314
|
|
reaction('c7h14ooh3-1 => c7h15o2-3', [8.884000e+10, -0.5, 9340.11])
|
|
|
|
# Reaction 1315
|
|
reaction('c7h15o2-3 => c7h14ooh3-2', [2.000000e+11, 0.0, 26849.9])
|
|
|
|
# Reaction 1316
|
|
reaction('c7h14ooh3-2 => c7h15o2-3', [1.715000e+10, -0.08, 14210.09])
|
|
|
|
# Reaction 1317
|
|
reaction('c7h15o2-3 => c7h14ooh3-4', [2.000000e+11, 0.0, 26849.9])
|
|
|
|
# Reaction 1318
|
|
reaction('c7h14ooh3-4 => c7h15o2-3', [1.715000e+10, -0.08, 14210.09])
|
|
|
|
# Reaction 1319
|
|
reaction('c7h15o2-3 => c7h14ooh3-5', [2.500000e+10, 0.0, 20849.9])
|
|
|
|
# Reaction 1320
|
|
reaction('c7h14ooh3-5 => c7h15o2-3', [2.143000e+09, -0.08, 8210.09])
|
|
|
|
# Reaction 1321
|
|
reaction('c7h15o2-3 => c7h14ooh3-6', [3.125000e+09, 0.0, 19049.95])
|
|
|
|
# Reaction 1322
|
|
reaction('c7h14ooh3-6 => c7h15o2-3', [2.679000e+08, -0.08, 6409.89])
|
|
|
|
# Reaction 1323
|
|
reaction('c7h15o2-4 => c7h14ooh4-2', [5.000000e+10, 0.0, 20849.9])
|
|
|
|
# Reaction 1324
|
|
reaction('c7h14ooh4-2 => c7h15o2-4', [4.287000e+09, -0.08, 8210.09])
|
|
|
|
# Reaction 1325
|
|
reaction('c7h15o2-4 => c7h14ooh4-3', [4.000000e+11, 0.0, 26849.9])
|
|
|
|
# Reaction 1326
|
|
reaction('c7h14ooh4-3 => c7h15o2-4', [3.430000e+10, -0.08, 14210.09])
|
|
|
|
# Reaction 1327
|
|
reaction('c7h15o2-1 + ho2 => c7h15o2h-1 + o2', [1.750000e+10, 0.0, -3275.1])
|
|
|
|
# Reaction 1328
|
|
reaction('c7h15o2h-1 + o2 => c7h15o2-1 + ho2', [4.923000e+13, -0.83, 34869.98])
|
|
|
|
# Reaction 1329
|
|
reaction('c7h15o2-2 + ho2 => c7h15o2h-2 + o2', [1.750000e+10, 0.0, -3275.1])
|
|
|
|
# Reaction 1330
|
|
reaction('c7h15o2h-2 + o2 => c7h15o2-2 + ho2', [4.934000e+13, -0.83, 34880.02])
|
|
|
|
# Reaction 1331
|
|
reaction('c7h15o2-3 + ho2 => c7h15o2h-3 + o2', [1.750000e+10, 0.0, -3275.1])
|
|
|
|
# Reaction 1332
|
|
reaction('c7h15o2h-3 + o2 => c7h15o2-3 + ho2', [4.934000e+13, -0.83, 34880.02])
|
|
|
|
# Reaction 1333
|
|
reaction('h2o2 + c7h15o2-1 => ho2 + c7h15o2h-1', [2.400000e+12, 0.0, 10000.0])
|
|
|
|
# Reaction 1334
|
|
reaction('ho2 + c7h15o2h-1 => h2o2 + c7h15o2-1', [2.400000e+12, 0.0, 10000.0])
|
|
|
|
# Reaction 1335
|
|
reaction('h2o2 + c7h15o2-2 => ho2 + c7h15o2h-2', [2.400000e+12, 0.0, 10000.0])
|
|
|
|
# Reaction 1336
|
|
reaction('ho2 + c7h15o2h-2 => h2o2 + c7h15o2-2', [2.400000e+12, 0.0, 10000.0])
|
|
|
|
# Reaction 1337
|
|
reaction('h2o2 + c7h15o2-3 => ho2 + c7h15o2h-3', [2.400000e+12, 0.0, 10000.0])
|
|
|
|
# Reaction 1338
|
|
reaction('ho2 + c7h15o2h-3 => h2o2 + c7h15o2-3', [2.400000e+12, 0.0, 10000.0])
|
|
|
|
# Reaction 1339
|
|
reaction('c7h15o2-1 + ch3o2 => c7h15o-1 + ch3o + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 1340
|
|
reaction('c7h15o-1 + ch3o + o2 => c7h15o2-1 + ch3o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1341
|
|
reaction('c7h15o2-2 + ch3o2 => c7h15o-2 + ch3o + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 1342
|
|
reaction('c7h15o-2 + ch3o + o2 => c7h15o2-2 + ch3o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1343
|
|
reaction('c7h15o2-3 + ch3o2 => c7h15o-3 + ch3o + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 1344
|
|
reaction('c7h15o-3 + ch3o + o2 => c7h15o2-3 + ch3o2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1345
|
|
reaction('2 c7h15o2-1 => o2 + 2 c7h15o-1', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 1346
|
|
reaction('o2 + 2 c7h15o-1 => 2 c7h15o2-1', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1347
|
|
reaction('c7h15o2-1 + c7h15o2-2 => c7h15o-1 + c7h15o-2 + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 1348
|
|
reaction('c7h15o-1 + c7h15o-2 + o2 => c7h15o2-1 + c7h15o2-2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1349
|
|
reaction('c7h15o2-1 + c7h15o2-3 => c7h15o-1 + c7h15o-3 + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 1350
|
|
reaction('c7h15o-1 + c7h15o-3 + o2 => c7h15o2-1 + c7h15o2-3', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1351
|
|
reaction('2 c7h15o2-2 => o2 + 2 c7h15o-2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 1352
|
|
reaction('o2 + 2 c7h15o-2 => 2 c7h15o2-2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1353
|
|
reaction('c7h15o2-2 + c7h15o2-3 => c7h15o-2 + c7h15o-3 + o2', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 1354
|
|
reaction('c7h15o-2 + c7h15o-3 + o2 => c7h15o2-2 + c7h15o2-3', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1355
|
|
reaction('2 c7h15o2-3 => o2 + 2 c7h15o-3', [1.400000e+16, -1.61, 1859.94])
|
|
|
|
# Reaction 1356
|
|
reaction('o2 + 2 c7h15o-3 => 2 c7h15o2-3', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1357
|
|
reaction('c7h15o2h-1 => c7h15o-1 + oh', [1.500000e+16, 0.0, 42500.0])
|
|
|
|
# Reaction 1358
|
|
reaction('c7h15o-1 + oh => c7h15o2h-1', [1.749000e+09, 1.53, -3744.98])
|
|
|
|
# Reaction 1359
|
|
reaction('c7h15o2h-2 => c7h15o-2 + oh', [1.250000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1360
|
|
reaction('c7h15o-2 + oh => c7h15o2h-2', [9.507000e+08, 1.42, -4525.1])
|
|
|
|
# Reaction 1361
|
|
reaction('c7h15o2h-3 => c7h15o-3 + oh', [1.250000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1362
|
|
reaction('c7h15o-3 + oh => c7h15o2h-3', [9.507000e+08, 1.42, -4525.1])
|
|
|
|
# Reaction 1363
|
|
reaction('c7h15o-1 => ch2o + c6h13-1', [4.683000e+17, -1.34, 20260.04])
|
|
|
|
# Reaction 1364
|
|
reaction('ch2o + c6h13-1 => c7h15o-1', [1.000000e+11, 0.0, 11900.1])
|
|
|
|
# Reaction 1365
|
|
reaction('c7h15o-2 => ch3cho + c5h11-1', [8.660000e+21, -2.39, 21880.02])
|
|
|
|
# Reaction 1366
|
|
reaction('ch3cho + c5h11-1 => c7h15o-2', [1.000000e+11, 0.0, 12900.1])
|
|
|
|
# Reaction 1367
|
|
reaction('c7h15o-3 => c2h5cho + pc4h9', [5.600000e+21, -2.33, 21359.94])
|
|
|
|
# Reaction 1368
|
|
reaction('c2h5cho + pc4h9 => c7h15o-3', [1.000000e+11, 0.0, 12900.1])
|
|
|
|
# Reaction 1369
|
|
reaction('c7h14ooh1-2 => c7h14-1 + ho2', [5.384000e+17, -1.81, 19059.99])
|
|
|
|
# Reaction 1370
|
|
reaction('c7h14-1 + ho2 => c7h14ooh1-2', [1.000000e+11, 0.0, 10530.11])
|
|
|
|
# Reaction 1371
|
|
reaction('c7h14ooh2-3 => c7h14-2 + ho2', [8.885000e+18, -2.1, 21479.92])
|
|
|
|
# Reaction 1372
|
|
reaction('c7h14-2 + ho2 => c7h14ooh2-3', [1.000000e+11, 0.0, 11530.11])
|
|
|
|
# Reaction 1373
|
|
reaction('c7h14ooh3-2 => c7h14-2 + ho2', [8.885000e+18, -2.1, 21479.92])
|
|
|
|
# Reaction 1374
|
|
reaction('c7h14-2 + ho2 => c7h14ooh3-2', [1.000000e+11, 0.0, 11530.11])
|
|
|
|
# Reaction 1375
|
|
reaction('c7h14ooh3-4 => c7h14-3 + ho2', [6.615000e+18, -2.03, 20570.03])
|
|
|
|
# Reaction 1376
|
|
reaction('c7h14-3 + ho2 => c7h14ooh3-4', [1.000000e+11, 0.0, 10530.11])
|
|
|
|
# Reaction 1377
|
|
reaction('c7h14ooh4-3 => c7h14-3 + ho2', [1.318000e+19, -2.03, 20570.03])
|
|
|
|
# Reaction 1378
|
|
reaction('c7h14-3 + ho2 => c7h14ooh4-3', [1.000000e+11, 0.0, 10530.11])
|
|
|
|
# Reaction 1379
|
|
reaction('c7h14ooh1-3 => c7h14o1-3 + oh', [7.500000e+10, 0.0, 15250.0])
|
|
|
|
# Reaction 1380
|
|
reaction('c7h14o1-3 + oh => c7h14ooh1-3', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1381
|
|
reaction('c7h14ooh1-4 => c7h14o1-4 + oh', [9.375000e+09, 0.0, 7000.0])
|
|
|
|
# Reaction 1382
|
|
reaction('c7h14o1-4 + oh => c7h14ooh1-4', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1383
|
|
reaction('c7h14ooh2-4 => c7h14o2-4 + oh', [7.500000e+10, 0.0, 15250.0])
|
|
|
|
# Reaction 1384
|
|
reaction('c7h14o2-4 + oh => c7h14ooh2-4', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1385
|
|
reaction('c7h14ooh2-5 => c7h14o2-5 + oh', [9.375000e+09, 0.0, 7000.0])
|
|
|
|
# Reaction 1386
|
|
reaction('c7h14o2-5 + oh => c7h14ooh2-5', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1387
|
|
reaction('c7h14ooh3-1 => c7h14o1-3 + oh', [7.500000e+10, 0.0, 15250.0])
|
|
|
|
# Reaction 1388
|
|
reaction('c7h14o1-3 + oh => c7h14ooh3-1', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1389
|
|
reaction('c7h14ooh3-5 => c7h14o3-5 + oh', [7.500000e+10, 0.0, 15250.0])
|
|
|
|
# Reaction 1390
|
|
reaction('c7h14o3-5 + oh => c7h14ooh3-5', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1391
|
|
reaction('c7h14ooh3-6 => c7h14o2-5 + oh', [9.375000e+09, 0.0, 7000.0])
|
|
|
|
# Reaction 1392
|
|
reaction('c7h14o2-5 + oh => c7h14ooh3-6', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1393
|
|
reaction('c7h14ooh4-2 => c7h14o2-4 + oh', [7.500000e+10, 0.0, 15250.0])
|
|
|
|
# Reaction 1394
|
|
reaction('c7h14o2-4 + oh => c7h14ooh4-2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1395
|
|
reaction('c7h14ooh1-3 => oh + ch2o + c6h12-1', [8.120000e+13, -0.14, 31090.11])
|
|
|
|
# Reaction 1396
|
|
reaction('oh + ch2o + c6h12-1 => c7h14ooh1-3', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1397
|
|
reaction('c7h14ooh2-4 => oh + ch3cho + c5h10-1', [5.364000e+17, -1.4, 26750.0])
|
|
|
|
# Reaction 1398
|
|
reaction('oh + ch3cho + c5h10-1 => c7h14ooh2-4', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1399
|
|
reaction('c7h14ooh3-1 => oh + nc4h9cho + c2h4', [2.212000e+19, -1.67, 26979.92])
|
|
|
|
# Reaction 1400
|
|
reaction('oh + nc4h9cho + c2h4 => c7h14ooh3-1', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1401
|
|
reaction('c7h14ooh3-5 => oh + c2h5cho + c4h8-1', [2.470000e+18, -1.55, 27020.08])
|
|
|
|
# Reaction 1402
|
|
reaction('oh + c2h5cho + c4h8-1 => c7h14ooh3-5', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1403
|
|
reaction('c7h14ooh4-2 => oh + nc3h7cho + c3h6', [1.300000e+18, -1.49, 26799.95])
|
|
|
|
# Reaction 1404
|
|
reaction('oh + nc3h7cho + c3h6 => c7h14ooh4-2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1405
|
|
reaction('c7h14ooh1-3o2 => c7h14ooh1-3 + o2', [5.997000e+23, -2.54, 38390.06])
|
|
|
|
# Reaction 1406
|
|
reaction('c7h14ooh1-3 + o2 => c7h14ooh1-3o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1407
|
|
reaction('c7h14ooh2-3o2 => c7h14ooh2-3 + o2', [6.349000e+23, -2.55, 38400.1])
|
|
|
|
# Reaction 1408
|
|
reaction('c7h14ooh2-3 + o2 => c7h14ooh2-3o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1409
|
|
reaction('c7h14ooh2-4o2 => c7h14ooh2-4 + o2', [6.349000e+23, -2.55, 38400.1])
|
|
|
|
# Reaction 1410
|
|
reaction('c7h14ooh2-4 + o2 => c7h14ooh2-4o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1411
|
|
reaction('c7h14ooh2-5o2 => c7h14ooh2-5 + o2', [6.349000e+23, -2.55, 38400.1])
|
|
|
|
# Reaction 1412
|
|
reaction('c7h14ooh2-5 + o2 => c7h14ooh2-5o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1413
|
|
reaction('c7h14ooh3-1o2 => c7h14ooh3-1 + o2', [1.597000e+21, -2.0, 36520.08])
|
|
|
|
# Reaction 1414
|
|
reaction('c7h14ooh3-1 + o2 => c7h14ooh3-1o2', [4.520000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1415
|
|
reaction('c7h14ooh3-2o2 => c7h14ooh3-2 + o2', [6.349000e+23, -2.55, 38400.1])
|
|
|
|
# Reaction 1416
|
|
reaction('c7h14ooh3-2 + o2 => c7h14ooh3-2o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1417
|
|
reaction('c7h14ooh3-4o2 => c7h14ooh3-4 + o2', [6.349000e+23, -2.55, 38400.1])
|
|
|
|
# Reaction 1418
|
|
reaction('c7h14ooh3-4 + o2 => c7h14ooh3-4o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1419
|
|
reaction('c7h14ooh3-5o2 => c7h14ooh3-5 + o2', [6.349000e+23, -2.55, 38400.1])
|
|
|
|
# Reaction 1420
|
|
reaction('c7h14ooh3-5 + o2 => c7h14ooh3-5o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1421
|
|
reaction('c7h14ooh3-6o2 => c7h14ooh3-6 + o2', [6.349000e+23, -2.55, 38400.1])
|
|
|
|
# Reaction 1422
|
|
reaction('c7h14ooh3-6 + o2 => c7h14ooh3-6o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1423
|
|
reaction('c7h14ooh4-2o2 => c7h14ooh4-2 + o2', [3.186000e+23, -2.55, 38400.1])
|
|
|
|
# Reaction 1424
|
|
reaction('c7h14ooh4-2 + o2 => c7h14ooh4-2o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1425
|
|
reaction('c7h14ooh4-3o2 => c7h14ooh4-3 + o2', [3.186000e+23, -2.55, 38400.1])
|
|
|
|
# Reaction 1426
|
|
reaction('c7h14ooh4-3 + o2 => c7h14ooh4-3o2', [7.540000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1427
|
|
reaction('c7h14ooh1-3o2 => nc7ket13 + oh', [2.500000e+10, 0.0, 21400.1])
|
|
|
|
# Reaction 1428
|
|
reaction('nc7ket13 + oh => c7h14ooh1-3o2', [9.108000e+02, 1.71, 43840.11])
|
|
|
|
# Reaction 1429
|
|
reaction('c7h14ooh2-3o2 => nc7ket23 + oh', [1.000000e+11, 0.0, 23849.9])
|
|
|
|
# Reaction 1430
|
|
reaction('nc7ket23 + oh => c7h14ooh2-3o2', [1.314000e+04, 1.53, 45869.98])
|
|
|
|
# Reaction 1431
|
|
reaction('c7h14ooh2-4o2 => nc7ket24 + oh', [1.250000e+10, 0.0, 17849.9])
|
|
|
|
# Reaction 1432
|
|
reaction('nc7ket24 + oh => c7h14ooh2-4o2', [5.561000e+01, 1.94, 43479.92])
|
|
|
|
# Reaction 1433
|
|
reaction('c7h14ooh2-5o2 => nc7ket25 + oh', [1.563000e+09, 0.0, 16049.95])
|
|
|
|
# Reaction 1434
|
|
reaction('nc7ket25 + oh => c7h14ooh2-5o2', [6.954000e+00, 1.94, 41679.97])
|
|
|
|
# Reaction 1435
|
|
reaction('c7h14ooh3-1o2 => nc7ket31 + oh', [1.250000e+10, 0.0, 17849.9])
|
|
|
|
# Reaction 1436
|
|
reaction('nc7ket31 + oh => c7h14ooh3-1o2', [4.292000e+01, 1.93, 43750.0])
|
|
|
|
# Reaction 1437
|
|
reaction('c7h14ooh3-2o2 => nc7ket32 + oh', [1.000000e+11, 0.0, 23849.9])
|
|
|
|
# Reaction 1438
|
|
reaction('nc7ket32 + oh => c7h14ooh3-2o2', [1.172000e+04, 1.51, 46150.1])
|
|
|
|
# Reaction 1439
|
|
reaction('c7h14ooh3-4o2 => nc7ket34 + oh', [1.000000e+11, 0.0, 23849.9])
|
|
|
|
# Reaction 1440
|
|
reaction('nc7ket34 + oh => c7h14ooh3-4o2', [1.172000e+04, 1.51, 46150.1])
|
|
|
|
# Reaction 1441
|
|
reaction('c7h14ooh3-5o2 => nc7ket35 + oh', [1.250000e+10, 0.0, 17849.9])
|
|
|
|
# Reaction 1442
|
|
reaction('nc7ket35 + oh => c7h14ooh3-5o2', [5.561000e+01, 1.94, 43479.92])
|
|
|
|
# Reaction 1443
|
|
reaction('c7h14ooh3-6o2 => nc7ket36 + oh', [1.563000e+09, 0.0, 16049.95])
|
|
|
|
# Reaction 1444
|
|
reaction('nc7ket36 + oh => c7h14ooh3-6o2', [6.954000e+00, 1.94, 41679.97])
|
|
|
|
# Reaction 1445
|
|
reaction('c7h14ooh4-2o2 => nc7ket42 + oh', [1.250000e+10, 0.0, 17849.9])
|
|
|
|
# Reaction 1446
|
|
reaction('nc7ket42 + oh => c7h14ooh4-2o2', [4.154000e+01, 1.94, 43750.0])
|
|
|
|
# Reaction 1447
|
|
reaction('c7h14ooh4-3o2 => nc7ket43 + oh', [1.000000e+11, 0.0, 23849.9])
|
|
|
|
# Reaction 1448
|
|
reaction('nc7ket43 + oh => c7h14ooh4-3o2', [1.172000e+04, 1.51, 46150.1])
|
|
|
|
# Reaction 1449
|
|
reaction('nc7ket13 => nc4h9cho + ch2cho + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1450
|
|
reaction('nc4h9cho + ch2cho + oh => nc7ket13', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1451
|
|
reaction('nc7ket23 => nc4h9cho + ch3co + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1452
|
|
reaction('nc4h9cho + ch3co + oh => nc7ket23', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1453
|
|
reaction('nc7ket24 => nc3h7cho + ch3coch2 + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1454
|
|
reaction('nc3h7cho + ch3coch2 + oh => nc7ket24', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1455
|
|
reaction('nc7ket25 => c2h5cho + ch2ch2coch3 + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1456
|
|
reaction('c2h5cho + ch2ch2coch3 + oh => nc7ket25', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1457
|
|
reaction('nc7ket31 => ch2o + nc4h9coch2 + oh', [1.500000e+16, 0.0, 42000.0])
|
|
|
|
# Reaction 1458
|
|
reaction('ch2o + nc4h9coch2 + oh => nc7ket31', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1459
|
|
reaction('nc7ket32 => ch3cho + nc4h9co + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1460
|
|
reaction('ch3cho + nc4h9co + oh => nc7ket32', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1461
|
|
reaction('nc7ket34 => nc3h7cho + c2h5co + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1462
|
|
reaction('nc3h7cho + c2h5co + oh => nc7ket34', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1463
|
|
reaction('nc7ket35 => c2h5cho + c2h5coch2 + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1464
|
|
reaction('c2h5cho + c2h5coch2 + oh => nc7ket35', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1465
|
|
reaction('nc7ket36 => ch3cho + c2h5coc2h4p + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1466
|
|
reaction('ch3cho + c2h5coc2h4p + oh => nc7ket36', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1467
|
|
reaction('nc7ket42 => ch3cho + nc3h7coch2 + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1468
|
|
reaction('ch3cho + nc3h7coch2 + oh => nc7ket42', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1469
|
|
reaction('nc7ket43 => c2h5cho + nc3h7co + oh', [1.050000e+16, 0.0, 41599.9])
|
|
|
|
# Reaction 1470
|
|
reaction('c2h5cho + nc3h7co + oh => nc7ket43', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1471
|
|
reaction('c7h14o1-3 + oh => c6h12-1 + hco + h2o', [2.500000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1472
|
|
reaction('c6h12-1 + hco + h2o => c7h14o1-3 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1473
|
|
reaction('c7h14o1-4 + oh => c5h10-1 + ch2cho + h2o', [2.500000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1474
|
|
reaction('c5h10-1 + ch2cho + h2o => c7h14o1-4 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1475
|
|
reaction('c7h14o2-4 + oh => ch3co + c5h10-1 + h2o', [2.500000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1476
|
|
reaction('ch3co + c5h10-1 + h2o => c7h14o2-4 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1477
|
|
reaction('c7h14o2-5 + oh => ch3coch2 + c4h8-1 + h2o', [2.500000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1478
|
|
reaction('ch3coch2 + c4h8-1 + h2o => c7h14o2-5 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1479
|
|
reaction('c7h14o3-5 + oh => c2h5co + c4h8-1 + h2o', [2.500000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1480
|
|
reaction('c2h5co + c4h8-1 + h2o => c7h14o3-5 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1481
|
|
reaction('c7h14o1-3 + oh => c2h4 + nc4h9co + h2o', [2.500000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1482
|
|
reaction('c2h4 + nc4h9co + h2o => c7h14o1-3 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1483
|
|
reaction('c7h14o1-4 + oh => c2h4 + nc3h7coch2 + h2o', [2.500000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1484
|
|
reaction('c2h4 + nc3h7coch2 + h2o => c7h14o1-4 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1485
|
|
reaction('c7h14o2-4 + oh => c3h6 + nc3h7co + h2o', [2.500000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1486
|
|
reaction('c3h6 + nc3h7co + h2o => c7h14o2-4 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1487
|
|
reaction('c7h14o2-5 + oh => c3h6 + c2h5coch2 + h2o', [2.500000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1488
|
|
reaction('c3h6 + c2h5coch2 + h2o => c7h14o2-5 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1489
|
|
reaction('c7h14o3-5 + oh => c2h5cho + c4h7 + h2o', [2.500000e+12, 0.0, 0.0])
|
|
|
|
# Reaction 1490
|
|
reaction('c2h5cho + c4h7 + h2o => c7h14o3-5 + oh', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1491
|
|
reaction('c7h14o1-3 + ho2 => c6h12-1 + hco + h2o2', [5.000000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1492
|
|
reaction('c6h12-1 + hco + h2o2 => c7h14o1-3 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1493
|
|
reaction('c7h14o1-4 + ho2 => c5h10-1 + ch2cho + h2o2', [5.000000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1494
|
|
reaction('c5h10-1 + ch2cho + h2o2 => c7h14o1-4 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1495
|
|
reaction('c7h14o2-4 + ho2 => ch3co + c5h10-1 + h2o2', [5.000000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1496
|
|
reaction('ch3co + c5h10-1 + h2o2 => c7h14o2-4 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1497
|
|
reaction('c7h14o2-5 + ho2 => ch3coch2 + c4h8-1 + h2o2', [5.000000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1498
|
|
reaction('ch3coch2 + c4h8-1 + h2o2 => c7h14o2-5 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1499
|
|
reaction('c7h14o3-5 + ho2 => c2h5co + c4h8-1 + h2o2', [5.000000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1500
|
|
reaction('c2h5co + c4h8-1 + h2o2 => c7h14o3-5 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1501
|
|
reaction('c7h14o1-3 + ho2 => c2h4 + nc4h9co + h2o2', [5.000000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1502
|
|
reaction('c2h4 + nc4h9co + h2o2 => c7h14o1-3 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1503
|
|
reaction('c7h14o1-4 + ho2 => c2h4 + nc3h7coch2 + h2o2', [5.000000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1504
|
|
reaction('c2h4 + nc3h7coch2 + h2o2 => c7h14o1-4 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1505
|
|
reaction('c7h14o2-4 + ho2 => c3h6 + nc3h7co + h2o2', [5.000000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1506
|
|
reaction('c3h6 + nc3h7co + h2o2 => c7h14o2-4 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1507
|
|
reaction('c7h14o2-5 + ho2 => c3h6 + c2h5coch2 + h2o2', [5.000000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1508
|
|
reaction('c3h6 + c2h5coch2 + h2o2 => c7h14o2-5 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1509
|
|
reaction('c7h14o3-5 + ho2 => c2h5cho + c4h7 + h2o2', [5.000000e+12, 0.0, 17700.05])
|
|
|
|
# Reaction 1510
|
|
reaction('c2h5cho + c4h7 + h2o2 => c7h14o3-5 + ho2', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1511
|
|
reaction('nc4h9coch2 => pc4h9 + ch2co', [1.554000e+18, -1.41, 43140.06])
|
|
|
|
# Reaction 1512
|
|
reaction('pc4h9 + ch2co => nc4h9coch2', [1.000000e+11, 0.0, 11599.9])
|
|
|
|
# Reaction 1513
|
|
reaction('c7h14ooh1-3 => c4h7ooh1-4 + nc3h7', [3.816000e+14, -0.74, 27469.89])
|
|
|
|
# Reaction 1514
|
|
reaction('c4h7ooh1-4 + nc3h7 => c7h14ooh1-3', [8.500000e+10, 0.0, 7799.95])
|
|
|
|
# Reaction 1515
|
|
reaction('c7h14ooh1-4 => c5h10-1 + c2h4 + ho2', [2.435000e+16, -1.08, 29450.05])
|
|
|
|
# Reaction 1516
|
|
reaction('c5h10-1 + c2h4 + ho2 => c7h14ooh1-4', [0.000000e+00, 0.0, 0.0])
|
|
|
|
# Reaction 1517
|
|
reaction('c7h14ooh2-4 => c5h9ooh1-4 + c2h5', [1.667000e+18, -1.75, 27669.93])
|
|
|
|
# Reaction 1518
|
|
reaction('c5h9ooh1-4 + c2h5 => c7h14ooh2-4', [9.250000e+10, 0.0, 7799.95])
|
|
|
|
# Reaction 1519
|
|
reaction('c7h14ooh2-5 => c4h8-1 + c3h6ooh2-1', [2.134000e+16, -0.96, 28799.95])
|
|
|
|
# Reaction 1520
|
|
reaction('c4h8-1 + c3h6ooh2-1 => c7h14ooh2-5', [8.500000e+10, 0.0, 7799.95])
|
|
|
|
# Reaction 1521
|
|
reaction('c7h15-1 + ho2 => c7h15o-1 + oh', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1522
|
|
reaction('c7h15o-1 + oh => c7h15-1 + ho2', [1.129000e+16, -0.75, 26989.96])
|
|
|
|
# Reaction 1523
|
|
reaction('c7h15-2 + ho2 => c7h15o-2 + oh', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1524
|
|
reaction('c7h15o-2 + oh => c7h15-2 + ho2', [1.967000e+18, -1.37, 28890.06])
|
|
|
|
# Reaction 1525
|
|
reaction('c7h15-3 + ho2 => c7h15o-3 + oh', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1526
|
|
reaction('c7h15o-3 + oh => c7h15-3 + ho2', [1.967000e+18, -1.37, 28890.06])
|
|
|
|
# Reaction 1527
|
|
reaction('c7h15-1 + ch3o2 => c7h15o-1 + ch3o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1528
|
|
reaction('c7h15o-1 + ch3o => c7h15-1 + ch3o2', [1.103000e+18, -1.33, 31750.0])
|
|
|
|
# Reaction 1529
|
|
reaction('c7h15-2 + ch3o2 => c7h15o-2 + ch3o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1530
|
|
reaction('c7h15o-2 + ch3o => c7h15-2 + ch3o2', [1.921000e+20, -1.95, 33659.89])
|
|
|
|
# Reaction 1531
|
|
reaction('c7h15-3 + ch3o2 => c7h15o-3 + ch3o', [7.000000e+12, 0.0, -1000.0])
|
|
|
|
# Reaction 1532
|
|
reaction('c7h15o-3 + ch3o => c7h15-3 + ch3o2', [1.921000e+20, -1.95, 33659.89])
|
|
|
|
# Reaction 1533
|
|
reaction('c4h7ooh1-4 => c4h7o1-4 + oh', [2.021000e+20, -1.53, 47039.91])
|
|
|
|
# Reaction 1534
|
|
reaction('c4h7o1-4 + oh => c4h7ooh1-4', [2.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1535
|
|
reaction('c5h9ooh1-4 => c5h9o1-4 + oh', [1.178000e+20, -1.38, 46049.95])
|
|
|
|
# Reaction 1536
|
|
reaction('c5h9o1-4 + oh => c5h9ooh1-4', [2.000000e+13, 0.0, 0.0])
|
|
|
|
# Reaction 1537
|
|
reaction('c4h7o1-4 => ch2o + c3h5-a', [2.412000e+16, -1.14, 7549.95])
|
|
|
|
# Reaction 1538
|
|
reaction('ch2o + c3h5-a => c4h7o1-4', [1.000000e+11, 0.0, 11900.1])
|
|
|
|
# Reaction 1539
|
|
reaction('c5h9o1-4 => ch3cho + c3h5-a', [7.715000e+20, -2.43, 5890.06])
|
|
|
|
# Reaction 1540
|
|
reaction('ch3cho + c3h5-a => c5h9o1-4', [5.000000e+10, 0.0, 9599.9])
|