""" 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 Review and release date: May 19, 2004. 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 Review and release date: May 19, 2004. """ units(length='cm', time='s', quantity='mol', act_energy='cal/mol') ideal_gas(name='gas', elements="N C H O", species="""n2 ch3 h ch4 h2 oh h2o o c2h6 c2h5 hco co co2 o2 h2o2 ho2 c2h4 ch3oh ch2oh ch3o ch2o c2h2 c2h3 c2h hcco ch2 ch ch2co ch2(s) pc2h4oh ch3co ch3cho c3h5-s c3h4-p c3h5-a c3h6 c3h4-a ch3chco c3h5-t c4h6 nc3h7 ic3h7 c3h8 c5h9 c4h7 c4h8-1 sc4h9 pc4h9 ch3coch3 ch3coch2 c2h5co c2h5cho c5h10-1 ch2cho c5h11-1 c5h11-2 c2h5o c2h5o2 ch3o2 ch3o2h c3h2 o2c2h4oh c2h4o2h c2h3co c2h3cho c3h5o c3h6o1-2 c3h6ooh1-2 c3h6ooh2-1 nc3h7o ic3h7o nc3h7o2 ic3h7o2 c4h7o c4h8ooh1-3o2 c4h8ooh1-3 nc4ket13 c4h8ooh1-2 c4h8o1-3 pc4h9o2 c3h3 hocho c2h3o1,2 nc3h7cho nc3h7co c3h6cho-2 ch2ch2coch3 c2h5coch2 c2h5coc2h4p nc3h7coch2 nc4h9cho nc4h9co hoch2o c6h13-1 c6h12-1 c6h11 nc7h16 c7h15-1 c7h15-2 c7h15-3 c7h15-4 c7h15o2-1 c7h15o2h-1 c7h15o2-2 c7h15o2h-2 c7h15o2-3 c7h15o2h-3 c7h14-1 c7h14-2 c7h14-3 c7h13 c7h15o2-4 c7h15o-1 c7h15o-2 c7h15o-3 c7h14ooh1-2 c7h14ooh1-3 c7h14ooh1-4 c7h14ooh2-3 c7h14ooh2-4 c7h14ooh2-5 c7h14ooh3-1 c7h14ooh3-2 c7h14ooh3-4 c7h14ooh3-5 c7h14ooh3-6 c7h14ooh4-2 c7h14ooh4-3 c7h14o1-3 c7h14o1-4 c7h14o2-4 c7h14o2-5 c7h14o3-5 c7h14ooh1-3o2 c7h14ooh2-3o2 c7h14ooh2-4o2 c7h14ooh2-5o2 c7h14ooh3-1o2 c7h14ooh3-2o2 c7h14ooh3-4o2 c7h14ooh3-5o2 c7h14ooh3-6o2 c7h14ooh4-2o2 c7h14ooh4-3o2 nc7ket13 nc7ket23 nc7ket24 nc7ket25 nc7ket31 nc7ket32 nc7ket34 nc7ket35 nc7ket36 nc7ket42 nc7ket43 nc4h9coch2 c4h7ooh1-4 c5h9ooh1-4 c4h7o1-4 c5h9o1-4""", reactions='all', transport='Mix', initial_state=state(temperature=300.0, pressure=OneAtm)) #------------------------------------------------------------------------------- # Species data #------------------------------------------------------------------------------- species(name=u'n2', atoms='N:2', thermo=(NASA([300.00, 1000.00], [ 3.29867700E+00, 1.40824000E-03, -3.96322200E-06, 5.64151500E-09, -2.44485500E-12, -1.02090000E+03, 3.95037200E+00]), NASA([1000.00, 5000.00], [ 2.92664000E+00, 1.48797700E-03, -5.68476100E-07, 1.00970400E-10, -6.75335100E-15, -9.22797700E+02, 5.98052800E+00])), transport=gas_transport(geom='linear', diam=3.621, well_depth=97.53, polar=1.76, rot_relax=4.0), note=u'121286') species(name=u'ch3', atoms='H:3 C:1', thermo=(NASA([300.00, 1000.00], [ 2.43044300E+00, 1.11241000E-02, -1.68022000E-05, 1.62182900E-08, -5.86495300E-12, 1.64237800E+04, 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, 5.45269700E+00])), transport=gas_transport(geom='linear', diam=3.8, well_depth=144.0), note=u'121286') species(name=u'h', atoms='H:1', thermo=(NASA([300.00, 1000.00], [ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 2.54716300E+04, -4.60117600E-01]), NASA([1000.00, 5000.00], [ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 2.54716300E+04, -4.60117600E-01])), transport=gas_transport(geom='atom', diam=2.05, well_depth=145.0), note=u'120186') species(name=u'ch4', atoms='H:4 C:1', thermo=(NASA([300.00, 1000.00], [ 7.78741500E-01, 1.74766800E-02, -2.78340900E-05, 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', thermo=(NASA([300.00, 1682.00], [ 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], [-1.67720549E+00, 8.24611601E-02, -5.46504108E-05, 1.87862303E-08, -2.65737983E-12, -1.02168601E+04, 3.85068032E+01]), 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, well_depth=457.8, dipole=0.3, rot_relax=1.0), note=u'2/10/95') species(name=u'c7h14-2', atoms='H:14 C:7', thermo=(NASA([300.00, 1390.00], [-1.16533279E+00, 7.90439806E-02, -4.96101666E-05, 1.58569009E-08, -2.05346433E-12, -1.17362359E+04, 3.59871070E+01]), 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], [-2.03026994E+00, 8.26324377E-02, -5.45514471E-05, 1.87705822E-08, -2.67571220E-12, -1.15141029E+04, 4.02316266E+01]), NASA([1392.00, 5000.00], [ 2.06822750E+01, 3.15388629E-02, -1.07571215E-05, 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', atoms='H:13 C:7', thermo=(NASA([300.00, 1392.00], [-2.01707658E+00, 8.08915559E-02, -5.43383904E-05, 1.88066108E-08, -2.66059253E-12, 6.81102828E+03, 3.89797235E+01]), 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, 2.11801862E-08, -3.20741722E-12, -2.19818400E+04, 2.69360553E+01]), NASA([1392.00, 5000.00], [ 2.52622017E+01, 3.46652053E-02, -1.18812593E-05, 1.84687322E-09, -1.07234165E-13, -3.05051074E+04, -1.01365070E+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', thermo=(NASA([300.00, 1391.00], [-4.59189934E-01, 8.74464647E-02, -5.69015135E-05, 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, 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], [-1.09087925E+00, 9.23217022E-02, -6.44477835E-05, 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'c7h14ooh1-2', 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'c7h14ooh1-3', 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'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, 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, 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, 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, 2.35223293E-08, -3.56678305E-12, -1.44255429E+04, 2.97386718E+01]), 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, 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'c7h14ooh3-4', 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'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]), 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], [ 2.33840162E+01, 3.26747680E-02, -1.12496957E-05, 1.75424237E-09, -1.02088356E-13, -3.35320676E+04, -9.93857329E+01])), transport=gas_transport(geom='nonlinear', diam=6.297, well_depth=511.5, rot_relax=1.0), note=u'2/10/95') species(name=u'c7h14o1-4', atoms='H:14 C:7 O:1', thermo=(NASA([300.00, 1397.00], [-7.67475343E+00, 1.08451023E-01, -8.27531084E-05, 3.30380469E-08, -5.41492429E-12, -3.34640974E+04, 6.49157213E+01]), NASA([1397.00, 5000.00], [ 2.31118905E+01, 3.33659362E-02, -1.14966228E-05, 1.79372703E-09, -1.04427245E-13, -4.38631326E+04, -9.93440338E+01])), transport=gas_transport(geom='nonlinear', diam=6.297, well_depth=511.5, rot_relax=1.0), note=u'2/10/95') species(name=u'c7h14o2-4', atoms='H:14 C:7 O:1', thermo=(NASA([300.00, 1400.00], [-6.14247505E+00, 1.06851133E-01, -8.34772177E-05, 3.40576579E-08, -5.66867936E-12, -2.58080917E+04, 5.73755835E+01]), NASA([1400.00, 5000.00], [ 2.39263696E+01, 3.19760128E-02, -1.09563797E-05, 1.70304471E-09, -9.88892529E-14, -3.57770124E+04, -1.02450761E+02])), transport=gas_transport(geom='nonlinear', diam=6.297, well_depth=511.5, rot_relax=1.0), note=u'2/10/95') species(name=u'c7h14o2-5', atoms='H:14 C:7 O:1', thermo=(NASA([300.00, 1400.00], [-7.32465040E+00, 1.09089081E-01, -8.42725073E-05, 3.38514638E-08, -5.54204874E-12, -3.57842594E+04, 6.24742748E+01]), NASA([1400.00, 5000.00], [ 2.36576563E+01, 3.26661812E-02, -1.12033725E-05, 1.74258165E-09, -1.01232864E-13, -4.61139813E+04, -1.02440732E+02])), transport=gas_transport(geom='nonlinear', diam=6.297, well_depth=511.5, rot_relax=1.0), note=u'2/10/95') species(name=u'c7h14o3-5', atoms='H:14 C:7 O:1', thermo=(NASA([300.00, 1400.00], [-6.14247505E+00, 1.06851133E-01, -8.34772177E-05, 3.40576579E-08, -5.66867936E-12, -2.58080917E+04, 5.73755835E+01]), NASA([1400.00, 5000.00], [ 2.39263696E+01, 3.19760128E-02, -1.09563797E-05, 1.70304471E-09, -9.88892529E-14, -3.57770124E+04, -1.02450761E+02])), transport=gas_transport(geom='nonlinear', diam=6.297, well_depth=511.5, rot_relax=1.0), note=u'2/10/95') species(name=u'c7h14ooh1-3o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1389.00], [ 3.84933185E+00, 9.45955097E-02, -5.94934121E-05, 1.78836457E-08, -2.00618696E-12, -3.32051631E+04, 2.25912030E+01]), NASA([1389.00, 5000.00], [ 3.23937788E+01, 3.33911097E-02, -1.15672104E-05, 1.81146023E-09, -1.05739941E-13, -4.36321048E+04, -1.32597311E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'c7h14ooh2-3o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1392.00], [ 3.09603698E+00, 9.93182239E-02, -6.69045928E-05, 2.24191270E-08, -2.97843662E-12, -3.52824732E+04, 2.43873873E+01]), NASA([1392.00, 5000.00], [ 3.27436761E+01, 3.30060143E-02, -1.14146253E-05, 1.78556283E-09, -1.04147126E-13, -4.58332974E+04, -1.35817581E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'c7h14ooh2-4o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1392.00], [ 3.09603698E+00, 9.93182239E-02, -6.69045928E-05, 2.24191270E-08, -2.97843662E-12, -3.52824732E+04, 2.43873873E+01]), NASA([1392.00, 5000.00], [ 3.27436761E+01, 3.30060143E-02, -1.14146253E-05, 1.78556283E-09, -1.04147126E-13, -4.58332974E+04, -1.35817581E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'c7h14ooh2-5o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1392.00], [ 3.09603698E+00, 9.93182239E-02, -6.69045928E-05, 2.24191270E-08, -2.97843662E-12, -3.52824732E+04, 2.43873873E+01]), NASA([1392.00, 5000.00], [ 3.27436761E+01, 3.30060143E-02, -1.14146253E-05, 1.78556283E-09, -1.04147126E-13, -4.58332974E+04, -1.35817581E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'c7h14ooh3-1o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1389.00], [ 3.84933185E+00, 9.45955097E-02, -5.94934121E-05, 1.78836457E-08, -2.00618696E-12, -3.32051631E+04, 2.25912030E+01]), NASA([1389.00, 5000.00], [ 3.23937788E+01, 3.33911097E-02, -1.15672104E-05, 1.81146023E-09, -1.05739941E-13, -4.36321048E+04, -1.32597311E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'c7h14ooh3-2o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1392.00], [ 3.09603698E+00, 9.93182239E-02, -6.69045928E-05, 2.24191270E-08, -2.97843662E-12, -3.52824732E+04, 2.43873873E+01]), NASA([1392.00, 5000.00], [ 3.27436761E+01, 3.30060143E-02, -1.14146253E-05, 1.78556283E-09, -1.04147126E-13, -4.58332974E+04, -1.35817581E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'c7h14ooh3-4o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1392.00], [ 3.09603698E+00, 9.93182239E-02, -6.69045928E-05, 2.24191270E-08, -2.97843662E-12, -3.52824732E+04, 2.43873873E+01]), NASA([1392.00, 5000.00], [ 3.27436761E+01, 3.30060143E-02, -1.14146253E-05, 1.78556283E-09, -1.04147126E-13, -4.58332974E+04, -1.35817581E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'c7h14ooh3-5o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1392.00], [ 3.09603698E+00, 9.93182239E-02, -6.69045928E-05, 2.24191270E-08, -2.97843662E-12, -3.52824732E+04, 2.43873873E+01]), NASA([1392.00, 5000.00], [ 3.27436761E+01, 3.30060143E-02, -1.14146253E-05, 1.78556283E-09, -1.04147126E-13, -4.58332974E+04, -1.35817581E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'c7h14ooh3-6o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1392.00], [ 3.09603698E+00, 9.93182239E-02, -6.69045928E-05, 2.24191270E-08, -2.97843662E-12, -3.52824732E+04, 2.43873873E+01]), NASA([1392.00, 5000.00], [ 3.27436761E+01, 3.30060143E-02, -1.14146253E-05, 1.78556283E-09, -1.04147126E-13, -4.58332974E+04, -1.35817581E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'c7h14ooh4-2o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1392.00], [ 3.09603698E+00, 9.93182239E-02, -6.69045928E-05, 2.24191270E-08, -2.97843662E-12, -3.52824732E+04, 2.43873873E+01]), NASA([1392.00, 5000.00], [ 3.27436761E+01, 3.30060143E-02, -1.14146253E-05, 1.78556283E-09, -1.04147126E-13, -4.58332974E+04, -1.35817581E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'c7h14ooh4-3o2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1392.00], [ 3.09603698E+00, 9.93182239E-02, -6.69045928E-05, 2.24191270E-08, -2.97843662E-12, -3.52824732E+04, 2.43873873E+01]), NASA([1392.00, 5000.00], [ 3.27436761E+01, 3.30060143E-02, -1.14146253E-05, 1.78556283E-09, -1.04147126E-13, -4.58332974E+04, -1.35817581E+02])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0), note=u'7/23/98tm') species(name=u'nc7ket13', atoms='H:14 C:7 O:3', thermo=(NASA([300.00, 1390.00], [ 3.02737415E+00, 9.05777002E-02, -6.33607268E-05, 2.32162136E-08, -3.53384105E-12, -4.91487120E+04, 2.25860013E+01]), NASA([1390.00, 5000.00], [ 2.85888117E+01, 3.15562212E-02, -1.08440166E-05, 1.68894899E-09, -9.82098038E-14, -5.81497451E+04, -1.15032511E+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'nc7ket23', atoms='H:14 C:7 O:3', thermo=(NASA([300.00, 1394.00], [ 1.97237667E-01, 1.01003617E-01, -7.54631627E-05, 2.92849376E-08, -4.66295964E-12, -5.04393242E+04, 3.49969216E+01]), NASA([1394.00, 5000.00], [ 2.94068890E+01, 3.11132474E-02, -1.07475750E-05, 1.67981822E-09, -9.79195344E-14, -6.04319021E+04, -1.21313991E+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'nc7ket24', 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'nc7ket25', 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'nc7ket31', atoms='H:14 C:7 O:3', thermo=(NASA([300.00, 1385.00], [ 3.68813236E+00, 8.66822494E-02, -5.84182707E-05, 2.08545324E-08, -3.15008235E-12, -5.10084351E+04, 2.07041129E+01]), NASA([1385.00, 5000.00], [ 2.79110835E+01, 3.22465428E-02, -1.11080316E-05, 1.73289508E-09, -1.00880504E-13, -5.97622360E+04, -1.10365114E+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'nc7ket32', 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'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])