units(length='cm', time='s', quantity='mol', act_energy='cal/mol') ideal_gas(name='gas', elements="N Ar O H C", species="""N2 AR O O2 H2 H OH H2O2 H2O HO2 HCO CH2 CO CH2O CO2 CH3 CH4 C2H4 CH3OH C2H5 C2H6 CH3O HOCHO CH3O2 CH3O2H C2H2 CH2CO C3H4XA C3H4XP C3H5XA C2H3 CH3CHO C2H5O2 C3H3 C3H6 C2H3CHO CH3COCH2 NXC3H7 C3H8 CH3COCH3 IXC3H7O2 NXC3H7O2 C4H6 C4H8X1 IXC4H7 IXC4H8 IXC3H5CHO IXC3H6CO IXC4H10 C4H10 IXC3H5CO IXC4H7OH IXC4H9O2 TXC4H9O2 PXC4H9O2 C5H9 IXC5H9 AXC5H10 C5H10X1 C6H11 C6H12X1 YXC7H14 NXC7H16 IXC8H18 CH CH2GSG CH2OH HOCH2O C2H HCCO CH2CHO C2H5O C2H3O1X2 CH3CO C3H2 C3H5O C3H5XT IXC3H7 C2H3CO CH2CCH2OH C4H7 C4H7O IXC4H7O IXC4H9 PXC4H9 TXC4H9 TXC4H9O IXC4H6OH C4H8OOH1X3 IC4H8O2HXT TC4H8O2HXI NEOXC5H11 C5H11X1 C6H13X1 XXC7H13 XC7H13OXZ C7H15X2 YXC7H15 CXC8H17""", reactions='all', transport='Mix', initial_state=state(temperature=300.0, pressure=OneAtm)) #------------------------------------------------------------------------------- # Species data # Mechanism contains 99 species and 601 reactions. #------------------------------------------------------------------------------- species(name='N2', atoms='N:2', thermo=(NASA([300.00, 1000.00], [ 3.29867700E+00, 1.40824000E-03, -3.96322200E-06, 5.64151500E-09, -2.44485500E-12, -1.02090000E+03, 3.95037200E+00]), NASA([1000.00, 5000.00], [ 2.92664000E+00, 1.48797700E-03, -5.68476100E-07, 1.00970400E-10, -6.75335100E-15, -9.22797700E+02, 5.98052800E+00])), transport=gas_transport(geom='atom', diam=3.621, well_depth=97.53), note='000000') species(name='AR', atoms='Ar:1', thermo=(NASA([300.00, 1000.00], [ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, -7.45375000E+02, 4.36600100E+00]), NASA([1000.00, 5000.00], [ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, -7.45375000E+02, 4.36600100E+00])), transport=gas_transport(geom='atom', diam=3.33, well_depth=136.5), note='000000') species(name='O', atoms='O:1', thermo=(NASA([300.00, 1000.00], [ 2.94642900E+00, -1.63816600E-03, 2.42103200E-06, -1.60284300E-09, 3.89069600E-13, 2.91476400E+04, 2.96399500E+00]), NASA([1000.00, 5000.00], [ 2.54206000E+00, -2.75506200E-05, -3.10280300E-09, 4.55106700E-12, -4.36805200E-16, 2.92308000E+04, 4.92030800E+00])), transport=gas_transport(geom='atom', diam=2.75, well_depth=80.0), note='000000') species(name='O2', atoms='O:2', thermo=(NASA([300.00, 1000.00], [ 3.21293600E+00, 1.12748600E-03, -5.75615000E-07, 1.31387700E-09, -8.76855400E-13, -1.00524900E+03, 6.03473800E+00]), NASA([1000.00, 5000.00], [ 3.69757800E+00, 6.13519700E-04, -1.25884200E-07, 1.77528100E-11, -1.13643500E-15, -1.23393000E+03, 3.18916600E+00])), transport=gas_transport(geom='atom', diam=3.458, well_depth=107.4), note='000000') species(name='H2', atoms='H:2', thermo=(NASA([300.00, 1000.00], [ 3.29812400E+00, 8.24944200E-04, -8.14301500E-07, -9.47543400E-11, 4.13487200E-13, -1.01252100E+03, -3.29409400E+00]), NASA([1000.00, 5000.00], [ 2.99142300E+00, 7.00064400E-04, -5.63382900E-08, -9.23157800E-12, 1.58275200E-15, -8.35034000E+02, -1.35511000E+00])), transport=gas_transport(geom='atom', diam=2.92, well_depth=38.0), note='000000') species(name='H', atoms='H:1', thermo=(NASA([300.00, 1000.00], [ 2.50104422E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 2.54747466E+04, -4.65341317E-01]), NASA([1000.00, 5000.00], [ 2.50104422E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 2.54747466E+04, -4.65341317E-01])), transport=gas_transport(geom='atom', diam=2.05, well_depth=145.0), note='000000') species(name='OH', atoms='H:1 O:1', thermo=(NASA([300.00, 1000.00], [ 3.43586219E+00, 2.02235804E-04, -1.13546412E-07, 2.42445149E-10, -7.43651031E-14, 3.74321252E+03, 2.45014127E+00]), NASA([1000.00, 5000.00], [ 3.69039275E+00, -5.80802318E-04, 7.63303256E-07, -1.80262059E-10, 0.00000000E+00, 3.67872158E+03, 1.15883087E+00])), transport=gas_transport(geom='atom', diam=2.75, well_depth=80.0), note='000000') species(name='H2O2', atoms='H:2 O:2', thermo=(NASA([300.00, 1000.00], [ 3.38875400E+00, 6.56922600E-03, -1.48501300E-07, -4.62580600E-09, 2.47151500E-12, -1.76631500E+04, 6.78536300E+00]), NASA([1000.00, 5000.00], [ 4.57316700E+00, 4.33613600E-03, -1.47468900E-06, 2.34890400E-10, -1.43165400E-14, -1.80069600E+04, 5.01137000E-01])), transport=gas_transport(geom='atom', diam=3.458, well_depth=107.4), note='000000') species(name='H2O', atoms='H:2 O:1', thermo=(NASA([300.00, 1000.00], [ 3.38684200E+00, 3.47498200E-03, -6.35469600E-06, 6.96858100E-09, -2.50658800E-12, -3.02081100E+04, 2.59023300E+00]), NASA([1000.00, 5000.00], [ 2.67214600E+00, 3.05629300E-03, -8.73026000E-07, 1.20099600E-10, -6.39161800E-15, -2.98992100E+04, 6.86281700E+00])), transport=gas_transport(geom='atom', diam=2.605, well_depth=572.4), note='000000') species(name='HO2', atoms='H:1 O:2', thermo=(NASA([300.00, 1000.00], [ 3.18310656E+00, 3.66767950E-03, -9.32385122E-07, -3.25852919E-10, 1.51139912E-13, 8.09181013E+02, 8.39371099E+00]), NASA([1000.00, 5000.00], [ 3.00201579E+00, 4.38552424E-03, -1.97594219E-06, 3.32090097E-10, 0.00000000E+00, 8.44944001E+02, 9.26704616E+00])), transport=gas_transport(geom='atom', diam=3.458, well_depth=107.4), note='000000') species(name='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='atom', diam=3.59, well_depth=498.0), note='000000') species(name='CH2', atoms='H:2 C:1', thermo=(NASA([300.00, 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, 5000.00], [ 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='atom', diam=3.8, well_depth=144.0), note='000000') species(name='CO', atoms='C:1 O:1', thermo=(NASA([300.00, 1000.00], [ 3.26245200E+00, 1.51194100E-03, -3.88175500E-06, 5.58194400E-09, -2.47495100E-12, -1.43105400E+04, 4.84889700E+00]), NASA([1000.00, 5000.00], [ 3.02507800E+00, 1.44268900E-03, -5.63082800E-07, 1.01858100E-10, -6.91095200E-15, -1.42683500E+04, 6.10821800E+00])), transport=gas_transport(geom='atom', diam=3.65, well_depth=98.1), note='000000') species(name='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='atom', diam=3.59, well_depth=498.0), note='000000') species(name='CO2', atoms='C:1 O:2', thermo=(NASA([300.00, 1000.00], [ 2.27572500E+00, 9.92207200E-03, -1.04091100E-05, 6.86668700E-09, -2.11728000E-12, -4.83731400E+04, 1.01884900E+01]), NASA([1000.00, 5000.00], [ 4.45362300E+00, 3.14016900E-03, -1.27841100E-06, 2.39399700E-10, -1.66903300E-14, -4.89669600E+04, -9.55395900E-01])), transport=gas_transport(geom='atom', diam=3.763, well_depth=244.0), note='000000') species(name='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='atom', diam=3.8, well_depth=144.0), note='000000') species(name='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='atom', diam=3.746, well_depth=141.4), note='000000') species(name='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='atom', diam=3.496, well_depth=238.4), note='000000') species(name='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='atom', diam=3.626, well_depth=481.8), note='000000') species(name='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='atom', diam=4.35, well_depth=247.5), note='000000') species(name='C2H6', atoms='H:6 C:2', thermo=(NASA([300.00, 1000.00], [-2.52854344E-02, 2.40764754E-02, -1.11893472E-05, 2.08340901E-09, -5.29868616E-14, -1.12345534E+04, 2.11648750E+01]), NASA([1000.00, 5000.00], [ 2.78247515E-01, 2.31689676E-02, -1.02319436E-05, 1.67699340E-09, 0.00000000E+00, -1.13124605E+04, 1.96191748E+01])), transport=gas_transport(geom='atom', diam=4.35, well_depth=247.5), note='000000') species(name='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, 5000.00], [ 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='atom', diam=3.69, well_depth=417.0), note='000000') species(name='HOCHO', atoms='H:2 C:1 O:2', thermo=(NASA([300.00, 1000.00], [ 1.43548185E+00, 1.63363016E-02, -1.06257421E-05, 3.32132977E-09, -4.02176103E-13, -4.64616504E+04, 1.72885798E+01]), NASA([1000.00, 5000.00], [ 2.71806922E+00, 1.23155199E-02, -6.02976465E-06, 1.06137058E-09, 0.00000000E+00, -4.67812848E+04, 1.08043488E+01])), transport=gas_transport(geom='atom', diam=3.97, well_depth=436.0), note='000000') species(name='CH3O2', atoms='H:3 C:1 O:2', thermo=(NASA([300.00, 1000.00], [ 4.26146906E+00, 1.00873599E-02, -3.21506184E-06, 2.09409267E-10, 4.18339103E-14, -6.84394259E+02, 5.16330320E+00]), NASA([1000.00, 5000.00], [ 3.72224006E+00, 1.15430493E-02, -4.55058763E-06, 6.70308528E-10, 0.00000000E+00, -5.34692750E+02, 7.95706399E+00])), transport=gas_transport(geom='atom', diam=3.626, well_depth=481.8), note='000000') species(name='CH3O2H', atoms='H:4 C:1 O:2', thermo=(NASA([300.00, 1000.00], [ 3.23442817E+00, 1.90129767E-02, -1.13386287E-05, 3.40306653E-09, -4.11830222E-13, -1.77197926E+04, 9.25623949E+00]), NASA([1000.00, 5000.00], [ 4.46640989E+00, 1.51021326E-02, -6.80105535E-06, 1.13252538E-09, 0.00000000E+00, -1.80236075E+04, 3.04195823E+00])), transport=gas_transport(geom='atom', diam=3.626, well_depth=481.8), note='000000') species(name='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='atom', diam=3.721, well_depth=265.3), note='000000') species(name='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='atom', diam=3.97, well_depth=436.0), note='000000') species(name='C3H4XA', atoms='H:4 C:3', thermo=(NASA([300.00, 1000.00], [ 2.53983100E+00, 1.63343700E-02, -1.76495000E-06, -4.64736500E-09, 1.72913100E-12, 2.25124300E+04, 9.93570200E+00]), NASA([1000.00, 5000.00], [ 1.97418459E+00, 2.05280021E-02, -1.01844059E-05, 1.87323627E-09, 0.00000000E+00, 2.25034216E+04, 1.21178939E+01])), transport=gas_transport(geom='atom', diam=4.29, well_depth=324.8), note='000000') species(name='C3H4XP', atoms='H:4 C:3', thermo=(NASA([300.00, 1000.00], [ 3.02973000E+00, 1.49896100E-02, -1.39850000E-06, -3.96961900E-09, 1.38821700E-12, 2.14840800E+04, 8.00459400E+00]), NASA([1000.00, 5000.00], [ 1.76237742E+00, 2.05568619E-02, -1.01191630E-05, 1.83936170E-09, 0.00000000E+00, 2.17000925E+04, 1.39629625E+01])), transport=gas_transport(geom='atom', diam=4.29, well_depth=324.8), note='000000') species(name='C3H5XA', atoms='H:5 C:3', thermo=(NASA([300.00, 1000.00], [-5.29131958E-01, 3.34559100E-02, -2.53401027E-05, 1.02865754E-08, -1.73258340E-12, 1.93834226E+04, 2.53067131E+01]), NASA([1000.00, 5000.00], [ 3.66851913E+00, 1.96203316E-02, -8.52931569E-06, 1.38113234E-09, 0.00000000E+00, 1.83798091E+04, 4.27588674E+00])), transport=gas_transport(geom='atom', diam=4.22, well_depth=316.0), note='000000') species(name='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='atom', diam=3.721, well_depth=265.3), note='000000') species(name='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='atom', diam=3.97, well_depth=436.0), note='000000') species(name='C2H5O2', atoms='H:5 C:2 O:2', thermo=(NASA([300.00, 1000.00], [ 2.26846188E+00, 2.76942578E-02, -1.70804106E-05, 5.87951878E-09, -9.20899069E-13, -5.03880758E+03, 1.64773972E+01]), NASA([1000.00, 5000.00], [ 3.82827163E+00, 2.20715592E-02, -9.59354350E-06, 1.53464150E-09, 0.00000000E+00, -5.38085087E+03, 8.79994592E+00])), transport=gas_transport(geom='atom', diam=4.41, well_depth=470.6), note='000000') species(name='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, 5000.00], [ 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='atom', diam=4.29, well_depth=324.8), note='000000') species(name='C3H6', atoms='H:6 C:3', thermo=(NASA([300.00, 1000.00], [ 3.94615444E-01, 2.89107662E-02, -1.54886808E-05, 3.88814209E-09, -3.37890352E-13, 1.06688164E+03, 2.19003736E+01]), NASA([1000.00, 5000.00], [ 1.68134957E+00, 2.49690718E-02, -1.11276041E-05, 1.84413526E-09, 0.00000000E+00, 7.40726095E+02, 1.53699482E+01])), transport=gas_transport(geom='atom', diam=4.14, well_depth=307.8), note='000000') species(name='C2H3CHO', atoms='H:4 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 2.92355162E-01, 3.54321417E-02, -2.94936324E-05, 1.28100124E-08, -2.26144108E-12, -1.16521584E+04, 2.28878280E+01]), NASA([1000.00, 5000.00], [ 5.56154592E+00, 1.79295837E-02, -8.03464758E-06, 1.32295375E-09, 0.00000000E+00, -1.29035886E+04, -3.47372739E+00])), transport=gas_transport(geom='atom', diam=4.958, well_depth=428.8), note='000000') species(name='CH3COCH2', atoms='H:5 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 1.80339187E+00, 3.01407085E-02, -1.93505552E-05, 6.38199034E-09, -8.66103180E-13, -5.37233261E+03, 1.78046408E+01]), NASA([1000.00, 5000.00], [ 4.27637519E+00, 2.22349285E-02, -1.00918419E-05, 1.68997058E-09, 0.00000000E+00, -5.97887937E+03, 5.34578139E+00])), transport=gas_transport(geom='atom', diam=4.86, well_depth=435.5), note='000000') species(name='NXC3H7', 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='atom', diam=4.81, well_depth=303.4), note='000000') species(name='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='atom', diam=4.81, well_depth=303.4), note='000000') species(name='CH3COCH3', atoms='H:6 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 1.30767163E+00, 2.92021742E-02, -1.19045617E-05, 6.52150087E-10, 4.67751203E-13, -2.75328269E+04, 1.96395025E+01]), NASA([1000.00, 5000.00], [ 1.07057510E+00, 3.05641014E-02, -1.43848777E-05, 2.47538664E-09, 0.00000000E+00, -2.75121809E+04, 2.06647304E+01])), transport=gas_transport(geom='atom', diam=4.86, well_depth=435.5), note='000000') species(name='IXC3H7O2', atoms='H:7 C:3 O:2', thermo=(NASA([300.00, 1000.00], [ 1.49941639E+00, 4.43081205E-02, -3.22414456E-05, 1.29687136E-08, -2.23370569E-12, -1.02587980E+04, 2.02336490E+01]), NASA([1000.00, 5000.00], [ 6.12023736E+00, 2.85231950E-02, -1.23003518E-05, 1.95801865E-09, 0.00000000E+00, -1.13282549E+04, -2.75966759E+00])), transport=gas_transport(geom='atom', diam=5.132, well_depth=454.761), note='000000') species(name='NXC3H7O2', atoms='H:7 C:3 O:2', thermo=(NASA([300.00, 1000.00], [ 2.10731492E+00, 3.96164986E-02, -2.49491599E-05, 8.59450300E-09, -1.31240330E-12, -7.93745567E+03, 1.89082748E+01]), NASA([1000.00, 5000.00], [ 4.71102090E+00, 3.06142048E-02, -1.34432869E-05, 2.17481455E-09, 0.00000000E+00, -8.53286429E+03, 5.98366370E+00])), transport=gas_transport(geom='atom', diam=4.997, well_depth=481.5), note='000000') species(name='C4H6', atoms='H:6 C:4', thermo=(NASA([300.00, 1000.00], [-1.43095121E+00, 4.78706062E-02, -4.15446800E-05, 1.91549552E-08, -3.57158507E-12, 1.17551314E+04, 2.90825833E+01]), NASA([1000.00, 5000.00], [ 6.31773432E+00, 2.17235924E-02, -8.92512394E-06, 1.36214233E-09, 0.00000000E+00, 9.94065362E+03, -9.56816296E+00])), transport=gas_transport(geom='atom', diam=4.72, well_depth=357.0), note='000000') species(name='C4H8X1', atoms='H:8 C:4', thermo=(NASA([300.00, 1000.00], [-8.31372089E-01, 4.52580978E-02, -2.93658559E-05, 1.00220436E-08, -1.43191680E-12, -1.57875035E+03, 2.95084236E+01]), NASA([1000.00, 5000.00], [ 3.04470367E+00, 3.27451765E-02, -1.45363237E-05, 2.39744017E-09, 0.00000000E+00, -2.52177534E+03, 1.00151514E+01])), transport=gas_transport(geom='atom', diam=4.65, well_depth=355.0), note='000000') species(name='IXC4H7', atoms='H:7 C:4', thermo=(NASA([300.00, 1000.00], [-7.20881697E-04, 4.36495730E-02, -3.16385877E-05, 1.23984983E-08, -2.04378360E-12, 1.45717785E+04, 2.33234340E+01]), NASA([1000.00, 5000.00], [ 4.86718299E+00, 2.75411161E-02, -1.19816020E-05, 1.93828198E-09, 0.00000000E+00, 1.34120718E+04, -1.04709781E+00])), transport=gas_transport(geom='atom', diam=4.65, well_depth=355.0), note='000000') species(name='IXC4H8', atoms='H:8 C:4', thermo=(NASA([300.00, 1000.00], [ 9.38433173E-01, 3.90547287E-02, -2.16437148E-05, 5.87267077E-09, -6.14435479E-13, -3.74817891E+03, 1.91442985E+01]), NASA([1000.00, 5000.00], [ 2.86958571E+00, 3.29649207E-02, -1.46431210E-05, 2.41629691E-09, 0.00000000E+00, -4.22675236E+03, 9.39239621E+00])), transport=gas_transport(geom='atom', diam=5.089, well_depth=344.5), note='000000') species(name='IXC3H5CHO', atoms='H:6 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 6.27183793E-01, 4.66780254E-02, -3.74430631E-05, 1.58330542E-08, -2.73952155E-12, -1.57203117E+04, 2.16034294E+01]), NASA([1000.00, 5000.00], [ 7.19597854E+00, 2.49956291E-02, -1.10451332E-05, 1.80920430E-09, 0.00000000E+00, -1.72891601E+04, -1.12990296E+01])), transport=gas_transport(geom='atom', diam=5.352, well_depth=436.4), note='000000') species(name='IXC3H6CO', atoms='H:6 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 2.28039055E+00, 4.17016989E-02, -3.25089661E-05, 1.37243419E-08, -2.40573132E-12, -1.63939712E+04, 1.38187714E+01]), NASA([1000.00, 5000.00], [ 7.75337340E+00, 2.34189265E-02, -9.95663860E-06, 1.57607259E-09, 0.00000000E+00, -1.76870893E+04, -1.35326559E+01])), transport=gas_transport(geom='atom', diam=5.352, well_depth=436.4), note='000000') species(name='IXC4H10', atoms='H:10 C:4', thermo=(NASA([300.00, 1000.00], [-1.01277506E+00, 5.04683181E-02, -3.00502072E-05, 9.15435582E-09, -1.15326683E-12, -1.80495698E+04, 2.74256871E+01]), NASA([1000.00, 5000.00], [ 2.15309662E+00, 4.02573763E-02, -1.79726719E-05, 2.96862376E-09, 0.00000000E+00, -1.88200361E+04, 1.15023884E+01])), transport=gas_transport(geom='atom', diam=5.208, well_depth=335.7), note='000000') species(name='C4H10', atoms='H:10 C:4', thermo=(NASA([300.00, 1000.00], [-5.95684473E-01, 4.89605743E-02, -2.82670269E-05, 8.13598060E-09, -9.29098101E-13, -1.69934308E+04, 2.71845212E+01]), NASA([1000.00, 5000.00], [ 2.27490347E+00, 3.98933022E-02, -1.78151483E-05, 2.95168814E-09, 0.00000000E+00, -1.77040887E+04, 1.26923580E+01])), transport=gas_transport(geom='atom', diam=5.206, well_depth=350.9), note='000000') species(name='IXC3H5CO', atoms='H:5 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 1.85097069E+00, 4.18855846E-02, -3.62553731E-05, 1.65690659E-08, -3.05850846E-12, 1.70381441E+02, 1.53014433E+01]), NASA([1000.00, 5000.00], [ 8.63232766E+00, 1.91159224E-02, -8.00161116E-06, 1.24510072E-09, 0.00000000E+00, -1.42477548E+03, -1.85563686E+01])), transport=gas_transport(geom='atom', diam=5.352, well_depth=436.4), note='000000') species(name='IXC4H7OH', atoms='H:8 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 1.69099899E+00, 4.27168891E-02, -2.49281695E-05, 7.00961522E-09, -7.23262828E-13, -2.14512334E+04, 1.99500833E+01]), NASA([1000.00, 5000.00], [ 4.51639244E+00, 3.41233243E-02, -1.54939573E-05, 2.62031163E-09, 0.00000000E+00, -2.21719085E+04, 5.59170103E+00])), transport=gas_transport(geom='atom', diam=5.356, well_depth=502.2), note='000000') species(name='IXC4H9O2', atoms='H:9 C:4 O:2', thermo=(NASA([300.00, 1000.00], [ 1.21434293E+00, 5.45388311E-02, -3.67001593E-05, 1.34131042E-08, -2.11741793E-12, -1.18482450E+04, 2.34153048E+01]), NASA([1000.00, 5000.00], [ 5.87706680E+00, 3.88267404E-02, -1.71467317E-05, 2.79162542E-09, 0.00000000E+00, -1.29408466E+04, 1.52864663E-01])), transport=gas_transport(geom='atom', diam=5.43, well_depth=502.252), note='000000') species(name='TXC4H9O2', atoms='H:9 C:4 O:2', thermo=(NASA([300.00, 1000.00], [ 1.08742583E+00, 5.82780709E-02, -4.33292697E-05, 1.76892535E-08, -3.06769606E-12, -1.49456640E+04, 2.01871963E+01]), NASA([1000.00, 5000.00], [ 7.53191518E+00, 3.63475610E-02, -1.57340220E-05, 2.51233023E-09, 0.00000000E+00, -1.64426227E+04, -1.19048226E+01])), transport=gas_transport(geom='atom', diam=5.43, well_depth=502.252), note='000000') species(name='PXC4H9O2', atoms='H:9 C:4 O:2', thermo=(NASA([300.00, 1000.00], [ 1.94363650E+00, 5.15513163E-02, -3.28284400E-05, 1.13064860E-08, -1.70118606E-12, -1.08358103E+04, 2.13503149E+01]), NASA([1000.00, 5000.00], [ 5.60083841E+00, 3.91490769E-02, -1.72943808E-05, 2.81627827E-09, 0.00000000E+00, -1.16875975E+04, 3.12724167E+00])), transport=gas_transport(geom='atom', diam=5.2, well_depth=496.0), note='000000') species(name='C5H9', atoms='H:9 C:5', thermo=(NASA([300.00, 1000.00], [-1.38013950E+00, 5.57608487E-02, -3.70143928E-05, 1.26883901E-08, -1.78538835E-12, 1.25589824E+04, 3.26441304E+01]), NASA([1000.00, 5000.00], [ 3.78447384E+00, 3.92999515E-02, -1.78010500E-05, 2.98594285E-09, 0.00000000E+00, 1.12889042E+04, 6.61027315E+00])), transport=gas_transport(geom='atom', diam=5.458, well_depth=396.8), note='000000') species(name='IXC5H9', atoms='H:9 C:5', thermo=(NASA([300.00, 1000.00], [-3.17594304E-01, 5.22454910E-02, -3.25968130E-05, 1.03628050E-08, -1.36066533E-12, 1.05922826E+04, 2.65205225E+01]), NASA([1000.00, 5000.00], [ 3.36575371E+00, 4.03442069E-02, -1.84836234E-05, 3.10688623E-09, 0.00000000E+00, 9.69702676E+03, 8.00001842E+00])), transport=gas_transport(geom='atom', diam=5.532, well_depth=386.6), note='000000') species(name='AXC5H10', atoms='H:10 C:5', thermo=(NASA([300.00, 1000.00], [-2.76630603E-01, 5.53539280E-02, -3.54499620E-05, 1.19626854E-08, -1.69878242E-12, -6.39547297E+03, 2.73911578E+01]), NASA([1000.00, 5000.00], [ 4.22640907E+00, 4.07544495E-02, -1.80613416E-05, 2.97172139E-09, 0.00000000E+00, -7.48699568E+03, 4.76272244E+00])), transport=gas_transport(geom='atom', diam=5.532, well_depth=386.6), note='000000') species(name='C5H10X1', atoms='H:10 C:5', thermo=(NASA([300.00, 1000.00], [-1.06223481E+00, 5.74218294E-02, -3.74486890E-05, 1.27364989E-08, -1.79609789E-12, -4.46546666E+03, 3.22739790E+01]), NASA([1000.00, 5000.00], [ 3.98580522E+00, 4.12429986E-02, -1.84390497E-05, 3.06155241E-09, 0.00000000E+00, -5.70112071E+03, 6.85332264E+00])), transport=gas_transport(geom='atom', diam=5.489, well_depth=386.2), note='000000') species(name='C6H11', atoms='H:11 C:6', thermo=(NASA([300.00, 1000.00], [-1.78981302E+00, 6.71660911E-02, -4.34180588E-05, 1.43931014E-08, -1.96953043E-12, 8.35230470E+03, 3.63570478E+01]), NASA([1000.00, 5000.00], [ 3.65722723E+00, 4.96497230E-02, -2.27569128E-05, 3.83175290E-09, 0.00000000E+00, 7.02283091E+03, 8.94408880E+00])), transport=gas_transport(geom='atom', diam=5.307, well_depth=482.473), note='000000') species(name='C6H12X1', atoms='H:12 C:6', thermo=(NASA([300.00, 1000.00], [-1.35275205E+00, 6.98655426E-02, -4.59408022E-05, 1.56967343E-08, -2.21296175E-12, -7.34368617E+03, 3.53120691E+01]), NASA([1000.00, 5000.00], [ 4.97075871E+00, 4.96637321E-02, -2.22947517E-05, 3.71602180E-09, 0.00000000E+00, -8.89572273E+03, 3.44991991E+00])), transport=gas_transport(geom='atom', diam=5.328, well_depth=485.857), note='000000') species(name='YXC7H14', atoms='H:14 C:7', thermo=(NASA([300.00, 1000.00], [-8.42232649E-01, 7.89798297E-02, -5.04574475E-05, 1.68934048E-08, -2.37201987E-12, -1.45971538E+04, 3.19096189E+01]), NASA([1000.00, 5000.00], [ 5.51949920E+00, 5.83988213E-02, -2.60086064E-05, 4.29182035E-09, 0.00000000E+00, -1.61420030E+04, -7.15568220E-02])), transport=gas_transport(geom='atom', diam=6.151, well_depth=439.2), note='000000') species(name='NXC7H16', atoms='H:16 C:7', thermo=(NASA([300.00, 1000.00], [-1.26836187E+00, 8.54355820E-02, -5.25346786E-05, 1.62945721E-08, -2.02394925E-12, -2.56586565E+04, 3.53732912E+01]), NASA([1000.00, 5000.00], [ 5.14079241E+00, 6.53078671E-02, -2.94827624E-05, 4.93726726E-09, 0.00000000E+00, -2.72533890E+04, 2.98195967E+00])), transport=gas_transport(geom='atom', diam=6.253, well_depth=459.6), note='000000') species(name='IXC8H18', atoms='H:18 C:8', thermo=(NASA([300.00, 1000.00], [-4.20868893E+00, 1.11440581E-01, -7.91346582E-05, 2.92406242E-08, -4.43743191E-12, -2.99446875E+04, 4.49521701E+01]), NASA([1000.00, 5000.00], [ 8.11399812E+00, 7.18938145E-02, -3.25717545E-05, 5.46436799E-09, 0.00000000E+00, -3.29583815E+04, -1.70885610E+01])), transport=gas_transport(geom='atom', diam=6.414, well_depth=458.5), note='000000') species(name='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='atom', diam=2.75, well_depth=80.0), note='000000') species(name='CH2GSG', 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, 5000.00], [ 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='atom', diam=3.8, well_depth=144.0), note='000000') species(name='CH2OH', atoms='H:3 C:1 O:1', thermo=(NASA([300.00, 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, 5000.00], [ 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='atom', diam=3.69, well_depth=417.0), note='000000') species(name='HOCH2O', atoms='H:3 C:1 O:2', thermo=(NASA([300.00, 1000.00], [ 4.11183145E+00, 7.53850697E-03, 3.77337370E-06, -5.38746005E-09, 1.45615887E-12, -2.12471918E+04, 7.46807254E+00]), NASA([1000.00, 5000.00], [ 1.72976110E+00, 1.61486804E-02, -7.75692098E-06, 1.37089042E-09, 0.00000000E+00, -2.07251324E+04, 1.91890617E+01])), transport=gas_transport(geom='atom', diam=4.41, well_depth=470.6), note='000000') species(name='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, 5000.00], [ 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='atom', diam=3.721, well_depth=265.3), note='000000') species(name='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, 5000.00], [ 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='atom', diam=2.5, well_depth=150.0), note='000000') species(name='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='atom', diam=3.97, well_depth=436.0), note='000000') species(name='C2H5O', atoms='H:5 C:2 O:1', thermo=(NASA([300.00, 1000.00], [ 4.94420708E-01, 2.71774434E-02, -1.65909010E-05, 5.15204200E-09, -6.48496915E-13, -3.35252925E+03, 2.28079378E+01]), NASA([1000.00, 5000.00], [ 2.46262349E+00, 2.09503959E-02, -9.39291750E-06, 1.56440627E-09, 0.00000000E+00, -3.83932658E+03, 1.28738847E+01])), transport=gas_transport(geom='atom', diam=4.41, well_depth=470.6), note='000000') species(name='C2H3O1X2', atoms='H:3 C:2 O:1', thermo=(NASA([300.00, 1000.00], [-1.62965122E+00, 2.93455486E-02, -2.43737550E-05, 1.00522325E-08, -1.61259036E-12, 1.52459425E+04, 3.22782741E+01]), NASA([1000.00, 5000.00], [ 3.41055375E+00, 1.35293434E-02, -6.24936923E-06, 1.09125656E-09, 0.00000000E+00, 1.39901041E+04, 6.79962828E+00])), transport=gas_transport(geom='atom', diam=3.97, well_depth=436.0), note='000000') species(name='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='atom', diam=3.97, well_depth=436.0), note='000000') species(name='C3H2', atoms='H:2 C:3', thermo=(NASA([300.00, 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, 5000.00], [ 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='atom', diam=4.1, well_depth=209.0), note='000000') species(name='C3H5O', atoms='H:5 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 1.19822582E+00, 3.05579837E-02, -1.80630276E-05, 4.86150033E-09, -4.19854562E-13, 9.58217784E+03, 2.15566221E+01]), NASA([1000.00, 5000.00], [ 3.39074577E+00, 2.41301620E-02, -1.13650894E-05, 1.97900938E-09, 0.00000000E+00, 9.00757452E+03, 1.03459501E+01])), transport=gas_transport(geom='atom', diam=4.82, well_depth=411.0), note='000000') species(name='C3H5XT', atoms='H:5 C:3', thermo=(NASA([300.00, 1000.00], [ 2.17916644E+00, 2.03826623E-02, -7.91413834E-06, 4.76906187E-10, 2.70398536E-13, 2.94895338E+04, 1.48785684E+01]), NASA([1000.00, 5000.00], [ 1.94476358E+00, 2.14172765E-02, -9.55055670E-06, 1.58351174E-09, 0.00000000E+00, 2.95295307E+04, 1.59800921E+01])), transport=gas_transport(geom='atom', diam=4.22, well_depth=316.0), note='000000') species(name='IXC3H7', 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='atom', diam=4.81, well_depth=303.4), note='000000') species(name='C2H3CO', atoms='H:3 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 1.36242013E+00, 3.15273972E-02, -3.00218935E-05, 1.48167112E-08, -2.87971530E-12, 4.25770215E+03, 1.72626546E+01]), NASA([1000.00, 5000.00], [ 7.49438492E+00, 1.07546430E-02, -3.99256412E-06, 5.48455956E-10, 0.00000000E+00, 2.82679210E+03, -1.33012118E+01])), transport=gas_transport(geom='atom', diam=4.12, well_depth=443.2), note='000000') species(name='CH2CCH2OH', atoms='H:5 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 2.88422544E+00, 2.42428071E-02, -1.14152268E-05, 1.71775334E-09, 1.42177454E-13, 1.17935615E+04, 1.52102335E+01]), NASA([1000.00, 5000.00], [ 3.58191118E+00, 2.26426214E-02, -1.04500902E-05, 1.79729408E-09, 0.00000000E+00, 1.15828067E+04, 1.15174392E+01])), transport=gas_transport(geom='atom', diam=4.687, well_depth=387.86), note='000000') species(name='C4H7', atoms='H:7 C:4', thermo=(NASA([300.00, 1000.00], [-3.50508352E-01, 4.26511243E-02, -2.90979373E-05, 1.05403914E-08, -1.60059854E-12, 1.49933591E+04, 2.67295696E+01]), NASA([1000.00, 5000.00], [ 3.81780717E+00, 2.91017034E-02, -1.29034435E-05, 2.12640447E-09, 0.00000000E+00, 1.39849665E+04, 5.79255273E+00])), transport=gas_transport(geom='atom', diam=4.65, well_depth=355.0), note='000000') species(name='C4H7O', atoms='H:7 C:4 O:1', thermo=(NASA([300.00, 1000.00], [-1.60619192E+00, 5.58562682E-02, -4.35595767E-05, 1.70589279E-08, -2.65635180E-12, 4.85090326E+03, 3.47112559E+01]), NASA([1000.00, 5000.00], [ 6.21920403E+00, 3.10373110E-02, -1.47414983E-05, 2.57805897E-09, 0.00000000E+00, 2.91790666E+03, -4.77187791E+00])), transport=gas_transport(geom='atom', diam=5.2, well_depth=496.0), note='000000') species(name='IXC4H7O', atoms='H:7 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 1.74700687E+00, 4.07783436E-02, -2.44750243E-05, 7.06502958E-09, -7.51570589E-13, 4.86979233E+03, 1.94535999E+01]), NASA([1000.00, 5000.00], [ 4.69209202E+00, 3.18284586E-02, -1.46589391E-05, 2.50217365E-09, 0.00000000E+00, 4.11802116E+03, 4.48457419E+00])), transport=gas_transport(geom='atom', diam=5.2, well_depth=496.0), note='000000') species(name='IXC4H9', atoms='H:9 C:4', thermo=(NASA([300.00, 1000.00], [-1.00837470E+00, 5.01087003E-02, -3.41941210E-05, 1.26025783E-08, -1.97552053E-12, 6.65557909E+03, 3.00386204E+01]), NASA([1000.00, 5000.00], [ 3.77508718E+00, 3.43242480E-02, -1.50000815E-05, 2.43400869E-09, 0.00000000E+00, 5.51336849E+03, 6.07871199E+00])), transport=gas_transport(geom='atom', diam=5.24, well_depth=352.0), note='000000') species(name='PXC4H9', atoms='H:9 C:4', thermo=(NASA([300.00, 1000.00], [-4.37779725E-01, 4.78972364E-02, -3.14023159E-05, 1.09786472E-08, -1.62010664E-12, 7.68945248E+03, 2.86852732E+01]), NASA([1000.00, 5000.00], [ 3.81812330E+00, 3.40790489E-02, -1.49135433E-05, 2.43205247E-09, 0.00000000E+00, 6.65901304E+03, 7.30417607E+00])), transport=gas_transport(geom='atom', diam=5.24, well_depth=352.0), note='000000') species(name='TXC4H9', atoms='H:9 C:4', thermo=(NASA([300.00, 1000.00], [-2.73729203E+00, 4.55390345E-02, -2.26390939E-05, 4.56951052E-09, -1.55321795E-13, 4.87138887E+03, 4.14144877E+01]), NASA([1000.00, 5000.00], [-1.58631603E+00, 4.22347506E-02, -1.93281324E-05, 3.25653506E-09, 0.00000000E+00, 4.56608047E+03, 3.55114583E+01])), transport=gas_transport(geom='atom', diam=5.24, well_depth=352.0), note='000000') species(name='TXC4H9O', atoms='H:9 C:4 O:1', thermo=(NASA([300.00, 1000.00], [-7.70464068E-01, 5.81926660E-02, -4.36197921E-05, 1.74942219E-08, -2.91836040E-12, -1.36502805E+04, 2.77576513E+01]), NASA([1000.00, 5000.00], [ 6.29676884E+00, 3.48948567E-02, -1.53075119E-05, 2.49415763E-09, 0.00000000E+00, -1.53396915E+04, -7.64896367E+00])), transport=gas_transport(geom='atom', diam=5.2, well_depth=496.0), note='000000') species(name='IXC4H6OH', atoms='H:7 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 8.63371227E-01, 4.68711282E-02, -3.43580339E-05, 1.33031052E-08, -2.13914975E-12, -3.14948305E+03, 2.29075523E+01]), NASA([1000.00, 5000.00], [ 6.23253527E+00, 2.92997409E-02, -1.31836016E-05, 2.19174644E-09, 0.00000000E+00, -4.44108779E+03, -4.02814898E+00])), transport=gas_transport(geom='atom', diam=5.356, well_depth=502.2), note='000000') species(name='C4H8OOH1X3', atoms='H:9 C:4 O:2', thermo=(NASA([300.00, 1000.00], [ 1.94106276E+00, 5.18789351E-02, -3.10411683E-05, 8.63568881E-09, -8.42841994E-13, -4.34315962E+03, 2.40230471E+01]), NASA([1000.00, 5000.00], [ 5.39803200E+00, 4.14364884E-02, -1.96843406E-05, 3.42149659E-09, 0.00000000E+00, -5.22953508E+03, 6.43453600E+00])), transport=gas_transport(geom='atom', diam=5.2, well_depth=496.0), note='000000') species(name='IC4H8O2HXT', atoms='H:9 C:4 O:2', thermo=(NASA([300.00, 1000.00], [ 3.77633001E+00, 4.50889269E-02, -2.62423875E-05, 7.74736900E-09, -9.11520393E-13, -5.98295842E+03, 1.53503399E+01]), NASA([1000.00, 5000.00], [ 6.79169931E+00, 3.56792226E-02, -1.55575664E-05, 2.54536254E-09, 0.00000000E+00, -6.73688506E+03, 9.43224996E-02])), transport=gas_transport(geom='atom', diam=5.43, well_depth=502.252), note='000000') species(name='TC4H8O2HXI', atoms='H:9 C:4 O:2', thermo=(NASA([300.00, 1000.00], [ 1.57469723E+00, 6.04648659E-02, -4.84991814E-05, 2.05236181E-08, -3.52974722E-12, -6.54190901E+03, 2.16852700E+01]), NASA([1000.00, 5000.00], [ 1.04628955E+01, 3.14141746E-02, -1.35326464E-05, 2.18982892E-09, 0.00000000E+00, -8.68277546E+03, -2.29159786E+01])), transport=gas_transport(geom='atom', diam=5.43, well_depth=502.252), note='000000') species(name='NEOXC5H11', atoms='H:11 C:5', thermo=(NASA([300.00, 1000.00], [-1.58140132E+00, 6.57175067E-02, -4.68120314E-05, 1.74732793E-08, -2.68709925E-12, 2.30933742E+03, 3.13380285E+01]), NASA([1000.00, 5000.00], [ 5.77200574E+00, 4.20543220E-02, -1.88587840E-05, 3.14271026E-09, 0.00000000E+00, 5.14995970E+02, -5.66586544E+00])), transport=gas_transport(geom='atom', diam=5.55, well_depth=357.8), note='000000') species(name='C5H11X1', atoms='H:11 C:5', thermo=(NASA([300.00, 1000.00], [-9.05255912E-01, 6.10632852E-02, -4.09491825E-05, 1.46093470E-08, -2.18859615E-12, 4.83995303E+03, 3.25574963E+01]), NASA([1000.00, 5000.00], [ 4.88920629E+00, 4.22834537E-02, -1.85843100E-05, 3.04124763E-09, 0.00000000E+00, 3.43475468E+03, 3.43704878E+00])), transport=gas_transport(geom='atom', diam=5.041, well_depth=440.735), note='000000') species(name='C6H13X1', atoms='H:13 C:6', thermo=(NASA([300.00, 1000.00], [-2.04871465E-01, 6.83801272E-02, -4.14447912E-05, 1.26155802E-08, -1.53120058E-12, 1.83280393E+03, 3.16075093E+01]), NASA([1000.00, 5000.00], [ 4.66412018E+00, 5.30952938E-02, -2.39508988E-05, 4.00632895E-09, 0.00000000E+00, 6.21004203E+02, 6.99854401E+00])), transport=gas_transport(geom='atom', diam=5.349, well_depth=489.224), note='000000') species(name='XXC7H13', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-3.06783292E-01, 7.20691145E-02, -4.20233916E-05, 1.20050088E-08, -1.32605214E-12, 1.23740449E+03, 2.87284575E+01]), NASA([1000.00, 5000.00], [ 4.05917970E+00, 5.84267834E-02, -2.65105662E-05, 4.44249937E-09, 0.00000000E+00, 1.47082184E+02, 6.64469546E+00])), transport=gas_transport(geom='atom', diam=6.151, well_depth=439.2), note='000000') species(name='XC7H13OXZ', atoms='H:13 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-2.29755615E+00, 9.42066780E-02, -7.32881979E-05, 2.96623011E-08, -4.88038965E-12, -6.85663941E+03, 4.10526275E+01]), NASA([1000.00, 5000.00], [ 1.05162383E+01, 5.26742329E-02, -2.37843015E-05, 3.99666567E-09, 0.00000000E+00, -9.96517922E+03, -2.33463177E+01])), transport=gas_transport(geom='atom', diam=6.317, well_depth=561.0), note='000000') species(name='C7H15X2', atoms='H:15 C:7', thermo=(NASA([300.00, 1000.00], [-3.79155767E-02, 7.56726570E-02, -4.07473634E-05, 9.32678943E-09, -4.92360745E-13, -2.35605303E+03, 3.37321506E+01]), NASA([1000.00, 5000.00], [ 3.74721159E+00, 6.49345162E-02, -3.01341025E-05, 5.17418142E-09, 0.00000000E+00, -3.37018357E+03, 1.42780413E+01])), transport=gas_transport(geom='atom', diam=6.253, well_depth=459.6), note='000000') species(name='YXC7H15', atoms='H:15 C:7', thermo=(NASA([300.00, 1000.00], [ 1.30897106E+00, 6.96136442E-02, -3.31150057E-05, 5.82888256E-09, 3.54427314E-14, -5.78512513E+03, 2.45658235E+01]), NASA([1000.00, 5000.00], [ 2.64218915E+00, 6.61233015E-02, -3.01694174E-05, 5.07586154E-09, 0.00000000E+00, -6.15969086E+03, 1.76336954E+01])), transport=gas_transport(geom='atom', diam=6.168, well_depth=437.3), note='000000') species(name='CXC8H17', atoms='H:17 C:8', thermo=(NASA([300.00, 1000.00], [-9.73159697E-02, 8.92653724E-02, -5.12873814E-05, 1.37640528E-08, -1.27788396E-12, -8.81147302E+03, 2.89791898E+01]), NASA([1000.00, 5000.00], [ 5.37958758E+00, 7.27997671E-02, -3.35089976E-05, 5.69648672E-09, 0.00000000E+00, -1.02203872E+04, 1.09221142E+00])), transport=gas_transport(geom='atom', diam=6.414, well_depth=458.5), note='000000') #------------------------------------------------------------------------------- # Reaction data #------------------------------------------------------------------------------- # Reaction 1 three_body_reaction('2 O + M => O2 + M', [6.170000e+15, -0.5, 0.0], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.9 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.8 CH2CCH2OH:0.0 H2:2.5 HOCH2O:0.0 C2H3CO:0.0 H2O:12.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 2 reaction('O + H2 => H + OH', [5.080000e+04, 2.67, 6292.07]) # Reaction 3 reaction('H + OH => O + H2', [2.231000e+04, 2.67, 4196.94]) # Reaction 4 three_body_reaction('OH + M => O + H + M', [3.909000e+22, -2.0, 105299.95], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.9 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.8 CH2CCH2OH:0.0 H2:2.5 HOCH2O:0.0 C2H3CO:0.0 H2O:12.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 5 three_body_reaction('O + H + M => OH + M', [4.720000e+18, -1.0, 0.0], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.9 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.8 CH2CCH2OH:0.0 H2:2.5 HOCH2O:0.0 C2H3CO:0.0 H2O:12.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 6 falloff_reaction('2 OH (+ M) <=> H2O2 (+ M)', kf=[1.236000e+14, -0.37, 0.0], kf0=[3.041000e+30, -4.63, 2049.0], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.9 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.8 CH2CCH2OH:0.0 H2:2.5 HOCH2O:0.0 C2H3CO:0.0 H2O:12.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=0.47, T3=100.0, T1=2000.0, T2=1e+15)) # Reaction 7 reaction('OH + H2 => H + H2O', [2.160000e+08, 1.51, 3429.97]) # Reaction 8 reaction('H + H2O => OH + H2', [9.352000e+08, 1.51, 18580.07]) # Reaction 9 three_body_reaction('H2O + M => H + OH + M', [1.837000e+27, -3.0, 122599.9], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.9 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.8 CH2CCH2OH:0.0 H2:2.5 HOCH2O:0.0 C2H3CO:0.0 H2O:12.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 10 three_body_reaction('H + OH + M => H2O + M', [2.250000e+22, -2.0, 0.0], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.9 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.8 CH2CCH2OH:0.0 H2:2.5 HOCH2O:0.0 C2H3CO:0.0 H2O:12.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 11 reaction('O + H2O => 2 OH', [2.970000e+06, 2.02, 13400.1]) # Reaction 12 reaction('2 OH => O + H2O', [3.013000e+05, 2.02, -3849.9]) # Reaction 13 falloff_reaction('H + O2 (+ M) <=> HO2 (+ M)', kf=[1.475000e+12, 0.6, 0.0], kf0=[3.500000e+16, -0.41, -1115.92], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.9 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.8 CH2CCH2OH:0.0 H2:2.5 HOCH2O:0.0 C2H3CO:0.0 H2O:12.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=0.5, T3=0.0, T1=1e+30, T2=1e+100)) # Reaction 14 reaction('H + O2 => O + OH', [1.970000e+14, 0.0, 16539.91]) # Reaction 15 reaction('O + OH => H + O2', [1.555000e+13, 0.0, 424.95]) # Reaction 16 reaction('2 HO2 => H2O2 + O2', [4.200000e+14, 0.0, 11979.92], options='duplicate') # Reaction 17 reaction('HO2 + H => H2 + O2', [1.660000e+13, 0.0, 820.03]) # Reaction 18 reaction('HO2 + OH => H2O + O2', [2.890000e+13, 0.0, -500.0]) # Reaction 19 reaction('H2O + O2 => HO2 + OH', [6.888000e+15, -0.33, 72140.06]) # Reaction 20 reaction('HO2 + H => 2 OH', [7.080000e+13, 0.0, 299.95]) # Reaction 21 reaction('2 OH => HO2 + H', [1.352000e+14, -0.33, 39570.03]) # Reaction 22 reaction('HO2 + O => OH + O2', [3.250000e+13, 0.0, 0.0]) # Reaction 23 reaction('OH + O2 => HO2 + O', [7.857000e+14, -0.33, 55390.06]) # Reaction 24 reaction('2 HO2 => H2O2 + O2', [1.300000e+11, 0.0, -1629.06], options='duplicate') # Reaction 25 reaction('H2O2 + OH => H2O + HO2', [5.800000e+14, 0.0, 9559.99], options='duplicate') # Reaction 26 reaction('H2O + HO2 => H2O2 + OH', [9.771000e+13, 0.33, 41020.08], options='duplicate') # Reaction 27 reaction('H2O2 + OH => H2O + HO2', [1.000000e+12, 0.0, 0.0], options='duplicate') # Reaction 28 reaction('H2O2 + O => OH + HO2', [9.550000e+06, 2.0, 3969.89]) # Reaction 29 reaction('H2O2 + H => H2O + OH', [2.410000e+13, 0.0, 3969.89]) # Reaction 30 reaction('H2O2 + H => H2 + HO2', [4.820000e+13, 0.0, 7950.05]) # Reaction 31 reaction('H2 + HO2 => H2O2 + H', [1.875000e+12, 0.33, 24260.04]) # Reaction 32 reaction('CH + O2 => HCO + O', [3.300000e+13, 0.0, 0.0]) # Reaction 33 reaction('CH2 + O => CO + 2 H', [5.000000e+13, 0.0, 0.0]) # Reaction 34 reaction('CH2 + OH => CH + H2O', [1.130000e+07, 2.0, 3000.0]) # Reaction 35 reaction('CH + H2O => CH2 + OH', [3.437000e+07, 2.0, 21140.06]) # Reaction 36 reaction('CH2 + O2 => CH2O + O', [3.290000e+21, -3.3, 2868.07]) # Reaction 37 reaction('CH2 + H => CH + H2', [1.000000e+18, -1.56, 0.0]) # Reaction 38 reaction('CH + H2 => CH2 + H', [7.026000e+17, -1.56, 2989.96]) # Reaction 39 reaction('CH2 + O2 => CO2 + 2 H', [3.290000e+21, -3.3, 2868.07]) # Reaction 40 reaction('CH2 + O2 => CO2 + H2', [1.010000e+21, -3.3, 1507.89]) # Reaction 41 reaction('CH2 + O2 => CO + H2O', [7.280000e+19, -2.54, 1809.03]) # Reaction 42 reaction('CH2GSG + O => CO + 2 H', [3.000000e+13, 0.0, 0.0]) # Reaction 43 reaction('CH2GSG + OH => CH2O + H', [3.000000e+13, 0.0, 0.0]) # Reaction 44 reaction('CH2GSG + H2 => CH3 + H', [7.000000e+13, 0.0, 0.0]) # Reaction 45 reaction('CH3 + H => CH2GSG + H2', [2.482000e+17, -0.89, 16130.02]) # Reaction 46 three_body_reaction('CH2GSG + M => CH2 + M', [1.000000e+13, 0.0, 0.0], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 47 three_body_reaction('CH2 + M => CH2GSG + M', [7.161000e+15, -0.89, 11429.97], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 48 reaction('CH2GSG + O2 => CO + OH + H', [7.000000e+13, 0.0, 0.0]) # Reaction 49 reaction('CH2GSG + H => CH + H2', [3.000000e+13, 0.0, 0.0]) # Reaction 50 reaction('CH + H2 => CH2GSG + H', [1.509000e+16, -0.89, 14419.93]) # Reaction 51 three_body_reaction('CH3 + M => CH2 + H + M', [1.968000e+16, 0.0, 92520.08], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 52 three_body_reaction('CH2 + H + M => CH3 + M', [2.107000e+11, 1.0, -19619.98], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 53 reaction('CH3 + OH => CH2GSG + H2O', [2.650000e+13, 0.0, 2185.95]) # Reaction 54 reaction('CH2GSG + H2O => CH3 + OH', [3.236000e+10, 0.89, 1211.04]) # Reaction 55 falloff_reaction('CH3 + H (+ M) <=> CH4 (+ M)', kf=[2.138000e+15, -0.4, 0.0], kf0=[3.310000e+30, -4.0, 2108.03], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:2.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.0 CH2CCH2OH:0.0 H2:2.0 HOCH2O:0.0 C2H3CO:0.0 H2O:5.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=0.0, T3=0.0, T1=0.0, T2=40.0)) # Reaction 56 reaction('CH3 + H2O2 => CH4 + HO2', [3.365000e+11, -0.33, 2501.91]) # Reaction 57 reaction('CH2GSG + CH3 => C2H4 + H', [2.000000e+13, 0.0, 0.0]) # Reaction 58 reaction('CH3 + OH => CH2 + H2O', [3.000000e+06, 2.0, 2500.0]) # Reaction 59 reaction('CH2 + H2O => CH3 + OH', [2.623000e+06, 2.0, 12960.09]) # Reaction 60 falloff_reaction('CH3OH (+ M) <=> CH3 + OH (+ M)', kf=[1.900000e+16, 0.0, 91729.92], kf0=[2.950000e+44, -7.35, 95460.09], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 CH4:2.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.5 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 C2H6:3.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:2.0 CH2CCH2OH:0.0 H2:2.0 HOCH2O:0.0 C2H3CO:0.0 H2O:6.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=0.414, T3=279.0, T1=5459.0, T2=1e+100)) # Reaction 61 reaction('2 CH3 <=> H + C2H5', [6.840000e+12, 0.1, 10599.9]) # Reaction 62 falloff_reaction('2 CH3 (+ M) <=> C2H6 (+ M)', kf=[9.214000e+16, -1.17, 635.76], kf0=[1.135000e+36, -5.246, 1705.07], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:2.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.0 CH2CCH2OH:0.0 H2:2.0 HOCH2O:0.0 C2H3CO:0.0 H2O:5.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=0.405, T3=1120.0, T1=69.6, T2=1e+15)) # Reaction 63 reaction('CH3 + O2 => CH2O + OH', [7.470000e+11, 0.0, 14250.0]) # Reaction 64 reaction('CH3 + O => CH2O + H', [8.000000e+13, 0.0, 0.0]) # Reaction 65 reaction('CH3 + O2 => CH3O + O', [1.995000e+18, -1.57, 29210.09]) # Reaction 66 reaction('CH3O + O => CH3 + O2', [3.585000e+18, -1.59, -1630.98]) # Reaction 67 reaction('CH3 + HO2 => CH3O + OH', [1.100000e+13, 0.0, 0.0]) # Reaction 68 reaction('CH3 + HO2 => CH4 + O2', [3.600000e+12, 0.0, 0.0]) # Reaction 69 reaction('2 CH3 => C2H4 + H2', [1.000000e+14, 0.0, 32000.0]) # Reaction 70 reaction('CH3 + H => CH2 + H2', [9.000000e+13, 0.0, 15099.9]) # Reaction 71 reaction('CH2 + H2 => CH3 + H', [1.818000e+13, 0.0, 10400.1]) # Reaction 72 reaction('CH3 + OH => CH2O + H2', [2.250000e+13, 0.0, 4299.95]) # Reaction 73 reaction('CH4 + H => CH3 + H2', [1.727000e+04, 3.0, 8223.95]) # Reaction 74 reaction('CH3 + H2 => CH4 + H', [6.610000e+02, 3.0, 7744.02]) # Reaction 75 reaction('CH4 + OH => CH3 + H2O', [1.930000e+05, 2.4, 2106.12]) # Reaction 76 reaction('CH3 + H2O => CH4 + OH', [3.199000e+04, 2.4, 16780.11]) # Reaction 77 reaction('CH + CH4 => C2H4 + H', [6.000000e+13, 0.0, 0.0]) # Reaction 78 reaction('CH4 + O => CH3 + OH', [3.150000e+12, 0.5, 10289.91]) # Reaction 79 reaction('CH3 + OH => CH4 + O', [5.296000e+10, 0.5, 7715.11]) # Reaction 80 reaction('CH2GSG + CH4 => 2 CH3', [4.000000e+13, 0.0, 0.0]) # Reaction 81 reaction('2 CH3 => CH2GSG + CH4', [5.429000e+15, -0.89, 15650.1]) # Reaction 82 reaction('CO + O2 => CO2 + O', [1.620000e+13, 0.0, 47700.05]) # Reaction 83 reaction('CO2 + O => CO + O2', [1.433000e+14, 0.0, 53919.93]) # Reaction 84 reaction('CO + HO2 => CO2 + OH', [3.010000e+13, 0.0, 23000.0]) # Reaction 85 falloff_reaction('CO + O (+ M) => CO2 (+ M)', kf=[1.800000e+10, 0.0, 2384.08], kf0=[1.350000e+24, -2.788, 4190.97], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.9 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.8 CH2CCH2OH:0.0 H2:2.5 HOCH2O:0.0 C2H3CO:0.0 H2O:12.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=1.0, T3=1.0, T1=10000000.0, T2=10000000.0)) # Reaction 86 reaction('CO + OH => CO2 + H', [1.400000e+05, 1.95, -1347.04]) # Reaction 87 reaction('CO2 + H => CO + OH', [1.568000e+07, 1.95, 20989.96]) # Reaction 88 reaction('HCO + CH3 => CH4 + CO', [1.210000e+14, 0.0, 0.0]) # Reaction 89 reaction('CH4 + CO => HCO + CH3', [2.073000e+16, 0.0, 90479.92]) # Reaction 90 reaction('HCO + O2 => CO + HO2', [7.580000e+12, 0.0, 409.89]) # Reaction 91 reaction('CO + HO2 => HCO + O2', [9.029000e+11, 0.33, 32929.97]) # Reaction 92 three_body_reaction('HCO + M => H + CO + M', [1.860000e+17, -1.0, 17000.0], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.9 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.8 CH2CCH2OH:0.0 H2:2.5 HOCH2O:0.0 C2H3CO:0.0 H2O:6.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 93 three_body_reaction('H + CO + M => HCO + M', [6.467000e+13, 0.0, -441.92], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:1.9 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.8 CH2CCH2OH:0.0 H2:2.5 HOCH2O:0.0 C2H3CO:0.0 H2O:6.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 94 reaction('HCO + H => CO + H2', [7.340000e+13, 0.0, 0.0]) # Reaction 95 reaction('CO + H2 => HCO + H', [4.813000e+14, 0.0, 90000.0]) # Reaction 96 reaction('HCO + O => CO + OH', [3.020000e+13, 0.0, 0.0]) # Reaction 97 reaction('HCO + OH => CO + H2O', [1.020000e+14, 0.0, 0.0]) # Reaction 98 reaction('HCO + O => CO2 + H', [3.000000e+13, 0.0, 0.0]) # Reaction 99 reaction('CH2O + H => HCO + H2', [9.334000e+08, 1.5, 2976.1]) # Reaction 100 reaction('HCO + H2 => CH2O + H', [7.453000e+07, 1.5, 17650.1]) # Reaction 101 reaction('CH2O + O2 => HCO + HO2', [2.050000e+13, 0.0, 38950.05]) # Reaction 102 three_body_reaction('CH2O + M => CO + H2 + M', [1.826000e+32, -4.42, 87119.98], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 103 reaction('CH2O + O => HCO + OH', [4.160000e+11, 0.57, 2761.95]) # Reaction 104 reaction('CH2O + CH3 => HCO + CH4', [3.636000e-06, 5.42, 998.09]) # Reaction 105 reaction('CH2O + HO2 => HCO + H2O2', [5.820000e-03, 4.53, 6556.88]) # Reaction 106 three_body_reaction('CH2O + M => HCO + H + M', [6.283000e+29, -3.57, 93200.05], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 107 reaction('CH2O + OH => HCO + H2O', [3.430000e+09, 1.18, -446.94]) # Reaction 108 reaction('CH2O + CH3O => CH3OH + HCO', [1.020000e+11, 0.0, 2979.92]) # Reaction 109 reaction('2 CH3O => CH3OH + CH2O', [6.030000e+13, 0.0, 0.0]) # Reaction 110 reaction('CH3O + O2 => CH2O + HO2', [5.500000e+10, 0.0, 2424.0]) # Reaction 111 falloff_reaction('CH3O (+ M) <=> CH2O + H (+ M)', kf=[5.450000e+13, 0.0, 13500.0], kf0=[2.344000e+25, -2.7, 30599.9], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=1.0, T3=1.0, T1=10000000.0, T2=10000000.0)) # Reaction 112 falloff_reaction('CH2OH (+ M) <=> CH2O + H (+ M)', kf=[2.800000e+14, -0.73, 32820.03], kf0=[6.010000e+33, -5.39, 36200.05], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=0.96, T3=67.6, T1=1855.0, T2=7543.0)) # Reaction 113 reaction('CH2OH + O2 => CH2O + HO2', [6.510000e+05, 2.27, -770.08]) # Reaction 114 reaction('CH2O + HO2 => CH2OH + O2', [3.020000e+10, 0.94, 21770.08]) # Reaction 115 reaction('CH2OH + CH2O => CH3OH + HCO', [1.292000e-01, 4.56, 6596.08]) # Reaction 116 reaction('CH3OH + H => CH2OH + H2', [1.440000e+13, 0.0, 6094.89]) # Reaction 117 falloff_reaction('CH3OH (+ M) => CH2OH + H (+ M)', kf=[2.690000e+16, -0.08, 98940.01], kf0=[2.340000e+40, -6.33, 103099.9], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=0.773, T3=693.0, T1=5333.0, T2=1e+100)) # Reaction 118 reaction('CH3OH + OH => CH3O + H2O', [1.000000e+06, 2.1, 496.65]) # Reaction 119 reaction('CH3OH + O => CH2OH + OH', [3.880000e+05, 2.5, 3080.07]) # Reaction 120 reaction('CH3OH + HO2 => CH2OH + H2O2', [3.980000e+13, 0.0, 19400.1]) # Reaction 121 reaction('CH3OH + H => CH3O + H2', [3.600000e+12, 0.0, 6094.89]) # Reaction 122 reaction('CH3O + H2 => CH3OH + H', [7.467000e+12, -0.02, 7825.05]) # Reaction 123 reaction('CH3OH + OH => CH2OH + H2O', [7.100000e+06, 1.8, -596.08]) # Reaction 124 reaction('CH2OH + H2O => CH3OH + OH', [3.293000e+01, 3.46, 22719.89]) # Reaction 125 reaction('CH2GSG + CO2 => CH2O + CO', [3.000000e+12, 0.0, 0.0]) # Reaction 126 reaction('HOCHO + O => CO + 2 OH', [1.770000e+18, -1.9, 2974.9]) # Reaction 127 reaction('HOCHO + H => H2 + CO2 + H', [4.240000e+06, 2.1, 4868.07]) # Reaction 128 reaction('HOCHO + OH => H2O + CO + OH', [1.850000e+07, 1.51, -962.0]) # Reaction 129 reaction('HOCHO + CH3 => CH4 + CO + OH', [3.900000e-07, 5.8, 2200.05]) # Reaction 130 reaction('HOCHO + H => H2 + CO + OH', [6.030000e+13, -0.35, 2988.05]) # Reaction 131 three_body_reaction('HOCHO + M => CO2 + H2 + M', [1.500000e+16, 0.0, 57000.0], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 132 three_body_reaction('CO2 + H2 + M => HOCHO + M', [2.399000e+14, 0.46, 61020.08], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 133 reaction('HOCHO + OH => H2O + CO2 + H', [2.620000e+06, 2.06, 916.11]) # Reaction 134 reaction('HOCHO + HO2 => H2O2 + CO + OH', [1.000000e+12, 0.0, 11919.93]) # Reaction 135 reaction('HOCHO => HCO + OH', [4.593000e+18, -0.46, 108299.95]) # Reaction 136 reaction('HCO + OH => HOCHO', [1.000000e+14, 0.0, 0.0]) # Reaction 137 reaction('2 CH3O2 => O2 + 2 CH3O', [1.400000e+16, -1.61, 1859.94]) # Reaction 138 reaction('CH3OH + CH3O2 => CH2OH + CH3O2H', [1.810000e+12, 0.0, 13710.09]) # Reaction 139 three_body_reaction('CH3O2 + M => CH3 + O2 + M', [4.343000e+27, -3.42, 30469.89], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 140 three_body_reaction('CH3 + O2 + M => CH3O2 + M', [5.440000e+25, -3.3, 0.0], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 141 reaction('CH3O2 + CH2O => CH3O2H + HCO', [1.990000e+12, 0.0, 11659.89]) # Reaction 142 reaction('2 CH3O2 => CH2O + CH3OH + O2', [3.110000e+14, -1.61, -1050.91]) # Reaction 143 reaction('CH3O2 + CH3 => 2 CH3O', [7.000000e+12, 0.0, -1000.0]) # Reaction 144 reaction('CH3O2 + HO2 => CH3O2H + O2', [1.750000e+10, 0.0, -3275.1]) # Reaction 145 reaction('HOCH2O => HOCHO + H', [1.000000e+14, 0.0, 14900.1]) # Reaction 146 reaction('HOCHO + H => HOCH2O', [3.077000e+11, 0.64, 7944.07]) # Reaction 147 reaction('HOCH2O => CH2O + OH', [1.643000e+14, -0.1, 21890.06]) # Reaction 148 reaction('CH2O + OH => HOCH2O', [2.600000e+12, 0.0, -614.01]) # Reaction 149 reaction('CH3O2H => CH3O + OH', [6.310000e+14, 0.0, 42299.95]) # Reaction 150 reaction('CH3O + OH => CH3O2H', [1.166000e+11, 0.6, -1771.03]) # Reaction 151 reaction('C2H + O => CO + CH', [1.810000e+13, 0.0, 0.0]) # Reaction 152 three_body_reaction('C2H + H + M => C2H2 + M', [7.130000e+07, 2.08, -28909.89], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 153 reaction('C2H + O2 => HCO + CO', [2.410000e+12, 0.0, 0.0]) # Reaction 154 reaction('C2H2 + O => HCCO + H', [1.430000e+07, 2.0, 1900.1]) # Reaction 155 reaction('C2H2 + O2 => HCCO + OH', [2.000000e+08, 1.5, 30099.9]) # Reaction 156 reaction('C2H2 + OH => CH2CO + H', [2.190000e-04, 4.5, -1000.0]) # Reaction 157 reaction('C2H2 + O => CH2 + CO', [6.120000e+06, 2.0, 1900.1]) # Reaction 158 reaction('C2H2 + CH3 => C3H4XA + H', [6.740000e+19, -2.08, 31590.11]) # Reaction 159 reaction('C3H4XA + H => C2H2 + CH3', [1.149000e+16, -0.7, 15789.91]) # Reaction 160 reaction('C2H2 + CH3 => C3H4XP + H', [1.211000e+17, -1.2, 16679.97]) # Reaction 161 reaction('C3H4XP + H => C2H2 + CH3', [1.000000e+14, 0.0, 4000.0]) # Reaction 162 reaction('C3H5XA => C2H2 + CH3', [2.397000e+48, -9.9, 82080.07]) # Reaction 163 reaction('C2H2 + CH3 => C3H5XA', [2.610000e+46, -9.82, 36950.05]) # Reaction 164 reaction('O + C2H2 => C2H + OH', [3.160000e+15, -0.6, 15000.0]) # Reaction 165 reaction('C2H + OH => O + C2H2', [4.443000e+10, 0.48, -15559.99]) # Reaction 166 reaction('C2H2 + OH => C2H + H2O', [3.370000e+07, 2.0, 14000.0]) # Reaction 167 reaction('C2H + H2O => C2H2 + OH', [4.671000e+03, 3.08, 684.99]) # Reaction 168 reaction('C2H3 + O2 => C2H2 + HO2', [2.120000e-06, 6.0, 9483.99]) # Reaction 169 reaction('C2H2 + HO2 => C2H3 + O2', [1.114000e-07, 6.33, 17570.03]) # Reaction 170 reaction('C2H3 + H => C2H2 + H2', [2.000000e+13, 0.0, 2500.0]) # Reaction 171 reaction('C2H3 + O2 => CH2CHO + O', [3.500000e+14, -0.61, 5260.04]) # Reaction 172 falloff_reaction('C2H3 (+ M) => H + C2H2 (+ M)', kf=[1.606000e+10, 1.028, 40503.59], kf0=[1.164000e+39, -6.821, 44491.63], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CO:2.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CO2:3.0 CH2CCH2OH:0.0 H2:2.0 HOCH2O:0.0 C2H3CO:0.0 H2O:5.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=1.0, T3=0.0, T1=675.0, T2=1e+15)) # Reaction 173 reaction('C2H3 + O2 => CH2O + HCO', [1.700000e+29, -5.31, 6500.0]) # Reaction 174 reaction('C2H4 + O => CH2CHO + H', [3.390000e+06, 1.88, 179.02]) # Reaction 175 falloff_reaction('C2H4 (+ M) => C2H2 + H2 (+ M)', kf=[1.800000e+13, 0.0, 76000.0], kf0=[1.500000e+15, 0.0, 55440.01], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=1.0, T3=1.0, T1=10000000.0, T2=10000000.0)) # Reaction 176 reaction('C2H4 + CH3 => C2H3 + CH4', [6.620000e+00, 3.7, 9500.0]) # Reaction 177 reaction('C2H3 + CH4 => C2H4 + CH3', [1.440000e+00, 4.02, 5472.04]) # Reaction 178 falloff_reaction('H + C2H4 (+ M) <=> C2H5 (+ M)', kf=[1.081000e+12, 0.45, 1821.94], kf0=[1.112000e+34, -5.0, 4447.9], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=1.0, T3=0.0, T1=95.0, T2=200.0)) # Reaction 179 reaction('C2H4 + O => CH3 + HCO', [1.020000e+07, 1.88, 179.02]) # Reaction 180 reaction('C2H4 + H => C2H3 + H2', [8.420000e-03, 4.62, 2582.93]) # Reaction 181 reaction('C2H3 + H2 => C2H4 + H', [5.723000e-01, 3.79, 3233.03]) # Reaction 182 reaction('C2H4 + OH => C2H3 + H2O', [2.050000e+13, 0.0, 5950.05]) # Reaction 183 reaction('C2H3 + H2O => C2H4 + OH', [6.033000e+15, -0.83, 21760.04]) # Reaction 184 reaction('C2H4 + CH3O2 => C2H3 + CH3O2H', [2.230000e+12, 0.0, 17190.01]) # Reaction 185 reaction('CH3 + C2H5 => CH4 + C2H4', [1.950000e+13, -0.5, 0.0]) # Reaction 186 reaction('C2H5 + O => CH3CHO + H', [5.000000e+13, 0.0, 0.0]) # Reaction 187 reaction('C2H5 + O2 => C2H4 + HO2', [1.220000e+30, -5.76, 10099.9]) # Reaction 188 reaction('C2H4 + HO2 => C2H5 + O2', [1.259000e+30, -5.63, 22299.95]) # Reaction 189 reaction('CH3O2 + C2H5 => CH3O + C2H5O', [7.000000e+12, 0.0, -1000.0]) # Reaction 190 reaction('C2H5 + H2O2 => C2H6 + HO2', [8.298000e+10, 0.24, 7852.06]) # Reaction 191 reaction('C2H5 + HO2 => C2H5O + OH', [3.200000e+13, 0.0, 0.0]) # Reaction 192 reaction('C2H5 + HO2 => C2H6 + O2', [2.679000e+08, 0.89, -1922.08]) # Reaction 193 reaction('C2H6 + O => C2H5 + OH', [1.300000e+07, 2.13, 5190.01]) # Reaction 194 reaction('C2H6 + CH3 => C2H5 + CH4', [1.510000e-07, 6.0, 6047.08]) # Reaction 195 reaction('C2H5 + CH4 => C2H6 + CH3', [9.649000e-10, 6.56, 10219.89]) # Reaction 196 reaction('C2H6 + H => C2H5 + H2', [5.540000e+02, 3.5, 5167.07]) # Reaction 197 reaction('C2H5 + H2 => C2H6 + H', [1.355000e-01, 4.06, 8857.07]) # Reaction 198 reaction('C2H6 + OH => C2H5 + H2O', [5.800000e+07, 1.73, 1159.89]) # Reaction 199 reaction('CH2GSG + C2H6 => CH3 + C2H5', [1.200000e+14, 0.0, 0.0]) # Reaction 200 reaction('C2H6 <=> C2H5 + H', [1.260000e+16, 0.0, 97992.35]) # Reaction 201 reaction('HCCO + O2 => CO2 + HCO', [2.400000e+11, 0.0, -853.97]) # Reaction 202 reaction('HCCO + H => CH2GSG + CO', [1.100000e+14, 0.0, 0.0]) # Reaction 203 reaction('CH2GSG + CO => HCCO + H', [2.046000e+12, 0.89, 27830.07]) # Reaction 204 reaction('HCCO + OH => 2 HCO', [1.000000e+13, 0.0, 0.0]) # Reaction 205 reaction('HCCO + O => H + 2 CO', [8.000000e+13, 0.0, 0.0]) # Reaction 206 reaction('CH2CO + OH => HCCO + H2O', [1.000000e+13, 0.0, 2000.0]) # Reaction 207 reaction('HCCO + H2O => CH2CO + OH', [1.412000e+11, 0.0, 9994.98]) # Reaction 208 reaction('CH2GSG + CH2CO => C2H4 + CO', [1.600000e+14, 0.0, 0.0]) # Reaction 209 reaction('CH2CO + H => CH3 + CO', [1.100000e+13, 0.0, 3400.1]) # Reaction 210 reaction('CH3 + CO => CH2CO + H', [2.400000e+12, 0.0, 40200.05]) # Reaction 211 reaction('CH2CO + O => HCCO + OH', [1.000000e+13, 0.0, 8000.0]) # Reaction 212 falloff_reaction('CH2CO (+ M) <=> CH2 + CO (+ M)', kf=[3.000000e+14, 0.0, 70979.92], kf0=[3.600000e+15, 0.0, 59270.08], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=1.0, T3=1.0, T1=10000000.0, T2=10000000.0)) # Reaction 213 reaction('CH2CO + OH => CH2OH + CO', [3.730000e+12, 0.0, -1012.91]) # Reaction 214 reaction('CH2CO + H => HCCO + H2', [2.000000e+14, 0.0, 8000.0]) # Reaction 215 reaction('HCCO + H2 => CH2CO + H', [6.522000e+11, 0.0, 840.11]) # Reaction 216 reaction('CH2CO + O => CH2 + CO2', [1.750000e+12, 0.0, 1349.9]) # Reaction 217 reaction('CH2CHO => CH2CO + H', [3.094000e+15, -0.26, 50820.03]) # Reaction 218 reaction('CH2CO + H => CH2CHO', [5.000000e+13, 0.0, 12299.95]) # Reaction 219 reaction('CH2CHO + O2 => CH2O + CO + OH', [2.000000e+13, 0.0, 4200.05]) # Reaction 220 reaction('C2H3O1X2 => CH2CHO', [1.000000e+14, 0.0, 14000.0]) # Reaction 221 reaction('CH2CHO => C2H3O1X2', [1.615000e+15, -0.41, 42460.09]) # Reaction 222 reaction('C2H3O1X2 => CH3CO', [8.500000e+14, 0.0, 14000.0]) # Reaction 223 reaction('CH3CO => C2H3O1X2', [1.488000e+14, -0.01, 47679.97]) # Reaction 224 reaction('CH3CO + CH3 => CH2CO + CH4', [5.000000e+13, 0.0, 0.0]) # Reaction 225 falloff_reaction('CH3CO (+ M) <=> CH3 + CO (+ M)', kf=[3.000000e+12, 0.0, 16719.89], kf0=[1.200000e+15, 0.0, 12520.08], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0', falloff=Troe(A=1.0, T3=1.0, T1=10000000.0, T2=10000000.0)) # Reaction 226 reaction('CH3CHO => CH3 + HCO', [2.614000e+15, 0.15, 80549.95]) # Reaction 227 reaction('CH3 + HCO => CH3CHO', [2.000000e+13, 0.0, 0.0]) # Reaction 228 reaction('CH3CHO + H => CH3CO + H2', [1.340000e+13, 0.0, 3299.95]) # Reaction 229 reaction('CH3CHO + O2 => CH3CO + HO2', [3.010000e+13, 0.0, 39150.1]) # Reaction 230 reaction('CH3CHO + O => CH3CO + OH', [5.940000e+12, 0.0, 1868.07]) # Reaction 231 reaction('CH3CHO + CH3 => CH3CO + CH4', [2.608000e+06, 1.78, 5911.09]) # Reaction 232 reaction('CH3O2 + CH3CHO => CH3O2H + CH3CO', [3.010000e+12, 0.0, 11919.93]) # Reaction 233 reaction('CH3CHO + OH => CH3 + HOCHO', [3.000000e+15, -1.08, 0.0]) # Reaction 234 reaction('CH3CHO + HO2 => CH3CO + H2O2', [3.010000e+12, 0.0, 11919.93]) # Reaction 235 reaction('CH3CHO + OH => CH3CO + H2O', [2.000000e+06, 1.8, 1299.95]) # Reaction 236 three_body_reaction('C2H5O + M => CH3CHO + H + M', [1.160000e+35, -5.89, 25270.08], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 237 three_body_reaction('CH3CHO + H + M => C2H5O + M', [3.063000e+30, -4.78, 6099.9], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 238 reaction('C2H5O + O2 => CH3CHO + HO2', [4.280000e+10, 0.0, 1097.04]) # Reaction 239 three_body_reaction('C2H5O + M => CH3 + CH2O + M', [1.350000e+38, -6.96, 23799.95], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 240 reaction('C2H5O2 => C2H5 + O2', [4.930000e+50, -11.5, 42250.0]) # Reaction 241 reaction('C2H5 + O2 => C2H5O2', [1.090000e+48, -11.54, 10219.89]) # Reaction 242 reaction('C2H5O2 => C2H4 + HO2', [3.370000e+55, -13.42, 44669.93]) # Reaction 243 reaction('C2H4 + HO2 => C2H5O2', [1.392000e+49, -12.1, 21619.98]) # Reaction 244 reaction('C3H2 + OH => C2H2 + HCO', [5.000000e+13, 0.0, 0.0]) # Reaction 245 reaction('C3H2 + O2 => HCCO + CO + H', [5.000000e+13, 0.0, 0.0]) # Reaction 246 reaction('C3H3 + H => C3H2 + H2', [5.000000e+13, 0.0, 0.0]) # Reaction 247 reaction('C3H3 + HO2 => C3H4XA + O2', [1.175000e+11, 0.3, 38.0]) # Reaction 248 reaction('C3H3 + CH4 => C3H4XA + CH3', [1.551000e-01, 3.98, 25669.93]) # Reaction 249 reaction('C3H3 + OH => C3H2 + H2O', [1.000000e+13, 0.0, 0.0]) # Reaction 250 reaction('C3H2 + H2O => C3H3 + OH', [1.343000e+15, 0.0, 15679.97]) # Reaction 251 reaction('C3H3 + O2 => CH2CO + HCO', [3.010000e+10, 0.0, 2869.98]) # Reaction 252 reaction('C3H3 + O => CH2O + C2H', [1.000000e+13, 0.0, 0.0]) # Reaction 253 reaction('C3H3 + HO2 => C3H4XP + O2', [2.354000e+11, 0.14, 77.92]) # Reaction 254 reaction('C3H4XA + OH => C3H3 + H2O', [1.000000e+07, 2.0, 1000.0]) # Reaction 255 reaction('C3H3 + H2O => C3H4XA + OH', [7.003000e+06, 1.97, 34520.08]) # Reaction 256 reaction('C3H4XA + H => C3H3 + H2', [2.000000e+07, 2.0, 5000.0]) # Reaction 257 reaction('C3H3 + H2 => C3H4XA + H', [3.235000e+06, 1.97, 23359.94]) # Reaction 258 reaction('C3H4XA + HO2 => C3H3 + H2O2', [3.000000e+13, 0.0, 14000.0]) # Reaction 259 reaction('C3H4XA + O => C2H4 + CO', [7.800000e+12, 0.0, 1599.9]) # Reaction 260 three_body_reaction('C3H4XA + M => C3H3 + H + M', [1.143000e+17, 0.0, 70000.0], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 261 reaction('C3H4XA => C3H4XP', [1.202000e+15, 0.0, 92400.1]) # Reaction 262 reaction('C3H4XP => C3H4XA', [3.222000e+18, -0.99, 96590.11]) # Reaction 263 three_body_reaction('C3H4XP + M => C3H3 + H + M', [1.143000e+17, 0.0, 70000.0], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 264 reaction('C3H4XP + OH => C3H3 + H2O', [1.000000e+07, 2.0, 1000.0]) # Reaction 265 reaction('C3H3 + H2O => C3H4XP + OH', [2.805000e+07, 1.81, 32119.98]) # Reaction 266 reaction('C3H4XP + CH3 => C3H3 + CH4', [1.500000e+00, 3.5, 5599.9]) # Reaction 267 reaction('C3H3 + CH4 => C3H4XP + CH3', [2.539000e+01, 3.31, 22039.91]) # Reaction 268 reaction('C3H4XP + H => C3H3 + H2', [2.000000e+07, 2.0, 5000.0]) # Reaction 269 reaction('C3H3 + H2 => C3H4XP + H', [1.296000e+07, 1.81, 20960.09]) # Reaction 270 reaction('C3H4XP => C2H + CH3', [4.200000e+16, 0.0, 100000.0]) # Reaction 271 reaction('C2H + CH3 => C3H4XP', [1.018000e+12, 0.61, -1599.9]) # Reaction 272 reaction('C3H5XA => C3H4XA + H', [6.663000e+15, -0.43, 63219.89]) # Reaction 273 reaction('C3H4XA + H => C3H5XA', [2.400000e+11, 0.69, 3006.93]) # Reaction 274 reaction('C3H5XA + O2 => C2H2 + CH2O + OH', [9.720000e+29, -5.71, 21450.05]) # Reaction 275 reaction('C3H4XA + C3H5XA => C3H3 + C3H6', [2.000000e+11, 0.0, 7700.05]) # Reaction 276 reaction('C3H5XA + HO2 => C3H5O + OH', [7.000000e+12, 0.0, -1000.0]) # Reaction 277 reaction('2 C3H5XA => C3H4XA + C3H6', [1.000000e+12, 0.0, 0.0]) # Reaction 278 reaction('C3H5XA + HO2 => C3H6 + O2', [3.332000e+10, 0.34, -555.93]) # Reaction 279 reaction('C3H5XA + CH3O2 => C3H5O + CH3O', [7.000000e+12, 0.0, -1000.0]) # Reaction 280 reaction('C3H5XA + CH3 => C3H4XA + CH4', [1.000000e+11, 0.0, 0.0]) # Reaction 281 reaction('C3H5XA + CH2O => C3H6 + HCO', [6.300000e+08, 1.9, 18190.01]) # Reaction 282 reaction('C3H6 + HCO => C3H5XA + CH2O', [1.097000e+08, 1.89, 15840.11]) # Reaction 283 reaction('C3H5XA + H => C3H4XA + H2', [1.810000e+13, 0.0, 0.0]) # Reaction 284 reaction('C3H5XA + O2 => C2H3CHO + OH', [2.470000e+13, -0.44, 23020.08]) # Reaction 285 reaction('C3H5XA + O2 => CH2CHO + CH2O', [7.140000e+15, -1.21, 21049.95]) # Reaction 286 reaction('C3H5XT => C3H4XA + H', [3.508000e+14, -0.44, 40890.06]) # Reaction 287 reaction('C3H4XA + H => C3H5XT', [8.500000e+12, 0.0, 2000.0]) # Reaction 288 reaction('C3H5XT + O2 => CH3COCH2 + O', [3.810000e+17, -1.36, 5580.07]) # Reaction 289 reaction('C3H5XT + O2 => CH2O + CH3CO', [3.710000e+25, -3.96, 7043.02]) # Reaction 290 reaction('C3H5XT => C3H4XP + H', [1.075000e+15, -0.6, 38489.96]) # Reaction 291 reaction('C3H4XP + H => C3H5XT', [6.500000e+12, 0.0, 2000.0]) # Reaction 292 reaction('C3H6 => C3H5XA + H', [2.010000e+61, -13.26, 118500.0]) # Reaction 293 reaction('C3H5XA + H => C3H6', [4.887000e+56, -12.25, 28080.07]) # Reaction 294 reaction('C3H6 + H => C3H5XA + H2', [1.730000e+05, 2.5, 2492.11]) # Reaction 295 reaction('C3H5XA + H2 => C3H6 + H', [7.933000e+04, 2.51, 19520.08]) # Reaction 296 reaction('C3H6 + O => CH2CO + CH3 + H', [2.500000e+07, 1.76, 76.0]) # Reaction 297 reaction('C3H6 + CH3 => C3H5XA + CH4', [2.210000e+00, 3.5, 5674.95]) # Reaction 298 reaction('C3H6 + H => C2H4 + CH3', [4.830000e+33, -5.81, 18500.0]) # Reaction 299 reaction('C2H4 + CH3 => C3H6 + H', [2.313000e+33, -5.9, 31619.98]) # Reaction 300 reaction('C3H6 + O => C3H5XT + OH', [6.030000e+10, 0.7, 7631.93]) # Reaction 301 reaction('C3H6 + O => C3H5XA + OH', [5.240000e+11, 0.7, 5884.08]) # Reaction 302 reaction('C3H6 + OH => C3H5XT + H2O', [1.110000e+06, 2.0, 1451.0]) # Reaction 303 reaction('C3H6 + H => C3H5XT + H2', [4.050000e+05, 2.5, 9793.98]) # Reaction 304 reaction('C3H5XT + H2 => C3H6 + H', [2.761000e+02, 3.19, 5500.0]) # Reaction 305 reaction('C3H6 + OH => C3H5XA + H2O', [3.120000e+06, 2.0, -298.04]) # Reaction 306 reaction('C3H5XA + H2O => C3H6 + OH', [6.194000e+06, 2.01, 31880.02]) # Reaction 307 reaction('C3H6 + O => C2H5 + HCO', [1.580000e+07, 1.76, -1216.06]) # Reaction 308 reaction('C3H6 => C2H3 + CH3', [2.730000e+62, -13.28, 123200.05]) # Reaction 309 reaction('C2H3 + CH3 => C3H6', [4.712000e+59, -13.19, 29539.91]) # Reaction 310 reaction('IXC3H7 => H + C3H6', [8.569000e+18, -1.57, 40340.11]) # Reaction 311 reaction('H + C3H6 => IXC3H7', [1.300000e+13, 0.0, 1559.99]) # Reaction 312 reaction('IXC3H7 + O2 => C3H6 + HO2', [4.500000e+11, 0.0, 5020.08]) # Reaction 313 reaction('NXC3H7 + O2 => C3H6 + HO2', [3.000000e+11, 0.0, 3000.0]) # Reaction 314 reaction('NXC3H7 => CH3 + C2H4', [2.284000e+14, -0.55, 28400.1]) # Reaction 315 reaction('CH3 + C2H4 => NXC3H7', [4.100000e+11, 0.0, 7204.11]) # Reaction 316 reaction('NXC3H7 => H + C3H6', [2.667000e+15, -0.64, 36820.03]) # Reaction 317 reaction('H + C3H6 => NXC3H7', [1.000000e+13, 0.0, 2500.0]) # Reaction 318 three_body_reaction('C3H8 + M => CH3 + C2H5 + M', [7.900000e+22, -1.8, 88630.02], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 319 three_body_reaction('CH3 + C2H5 + M => C3H8 + M', [3.659000e+14, -0.36, 989.01], efficiencies='C3H2:0.0 XC7H13OXZ:0.0 NEOXC5H11:0.0 C5H11X1:0.0 TC4H8O2HXI:0.0 C4H7O:0.0 IXC4H6OH:0.0 CH2OH:0.0 YXC7H15:0.0 IXC3H7:0.0 C3H5O:0.0 CH2CHO:0.0 C2H3O1X2:0.0 PXC4H9:0.0 C6H13X1:0.0 C3H5XT:0.0 TXC4H9O:0.0 C2H:0.0 HCCO:0.0 C4H8OOH1X3:0.0 CH:0.0 CH2GSG:0.0 C4H7:0.0 C2H5O:0.0 XXC7H13:0.0 CXC8H17:0.0 TXC4H9:0.0 IXC4H9:0.0 IC4H8O2HXT:0.0 CH2CCH2OH:0.0 C2H3CO:0.0 HOCH2O:0.0 CH3CO:0.0 IXC4H7O:0.0 C7H15X2:0.0') # Reaction 320 reaction('C3H8 + O2 => IXC3H7 + HO2', [4.000000e+13, 0.0, 47500.0]) # Reaction 321 reaction('IXC3H7 + HO2 => C3H8 + O2', [2.080000e+12, 0.0, 0.0]) # Reaction 322 reaction('C3H8 + O2 => NXC3H7 + HO2', [4.000000e+13, 0.0, 47500.0]) # Reaction 323 reaction('NXC3H7 + HO2 => C3H8 + O2', [2.080000e+12, 0.0, 0.0]) # Reaction 324 reaction('H + C3H8 => H2 + IXC3H7', [1.300000e+06, 2.4, 4471.08]) # Reaction 325 reaction('H2 + IXC3H7 => H + C3H8', [4.709000e+05, 2.15, 12179.97]) # Reaction 326 reaction('H + C3H8 <=> H2 + NXC3H7', [3.972000e+06, 2.75, 6756.69]) # Reaction 327 reaction('C3H8 + O => IXC3H7 + OH', [2.810000e+13, 0.0, 5200.05]) # Reaction 328 reaction('IXC3H7 + OH => C3H8 + O', [1.870000e+12, 0.0, 9607.07]) # Reaction 329 reaction('C3H8 + O => NXC3H7 + OH', [1.130000e+14, 0.0, 7849.9]) # Reaction 330 reaction('NXC3H7 + OH => C3H8 + O', [7.530000e+12, 0.0, 12260.04]) # Reaction 331 reaction('C3H8 + OH => NXC3H7 + H2O', [1.054000e+10, 0.97, 1586.04]) # Reaction 332 reaction('NXC3H7 + H2O => C3H8 + OH', [6.931000e+09, 0.97, 23250.0]) # Reaction 333 reaction('C3H8 + OH => IXC3H7 + H2O', [4.670000e+07, 1.61, -34.89]) # Reaction 334 reaction('IXC3H7 + H2O => C3H8 + OH', [3.071000e+07, 1.61, 21630.02]) # Reaction 335 reaction('C3H8 + HO2 => IXC3H7 + H2O2', [5.600000e+12, 0.0, 17700.05]) # Reaction 336 reaction('IXC3H7 + H2O2 => C3H8 + HO2', [4.160000e+11, 0.0, 7425.91]) # Reaction 337 reaction('C3H8 + HO2 => NXC3H7 + H2O2', [1.680000e+13, 0.0, 20429.97]) # Reaction 338 reaction('NXC3H7 + H2O2 => C3H8 + HO2', [2.330000e+12, 0.0, 9826.0]) # Reaction 339 reaction('CH3 + C3H8 => CH4 + IXC3H7', [3.980000e+11, 0.0, 9500.0]) # Reaction 340 reaction('CH4 + IXC3H7 => CH3 + C3H8', [1.585000e+12, 0.0, 16479.92]) # Reaction 341 reaction('CH3 + C3H8 => CH4 + NXC3H7', [1.290000e+12, 0.0, 11599.9]) # Reaction 342 reaction('CH4 + NXC3H7 => CH3 + C3H8', [5.129000e+12, 0.0, 18580.07]) # Reaction 343 reaction('C2H3CO => C2H3 + CO', [3.043000e+14, -0.46, 30510.04]) # Reaction 344 reaction('C2H3 + CO => C2H3CO', [1.510000e+11, 0.0, 4809.99]) # Reaction 345 reaction('C2H3CHO + CH3O2 => C2H3CO + CH3O2H', [3.010000e+12, 0.0, 11919.93]) # Reaction 346 reaction('C2H3CHO + OH => C2H3CO + H2O', [9.240000e+06, 1.5, -962.0]) # Reaction 347 reaction('C2H3CHO + HO2 => C2H3CO + H2O2', [3.010000e+12, 0.0, 11919.93]) # Reaction 348 reaction('C2H3CHO + CH3 => C2H3CO + CH4', [2.608000e+06, 1.78, 5911.09]) # Reaction 349 reaction('C2H3CHO + O => C2H3CO + OH', [5.940000e+12, 0.0, 1868.07]) # Reaction 350 reaction('C2H3CHO + H => C2H3CO + H2', [1.340000e+13, 0.0, 3299.95]) # Reaction 351 reaction('C3H5O => C2H3CHO + H', [1.000000e+14, 0.0, 29099.9]) # Reaction 352 reaction('C2H3CHO + H => C3H5O', [7.714000e+11, 0.48, 17750.0]) # Reaction 353 reaction('C3H5O => C2H3 + CH2O', [2.028000e+12, 0.09, 23559.99]) # Reaction 354 reaction('C3H5O + O2 => C2H3CHO + HO2', [1.000000e+12, 0.0, 6000.0]) # Reaction 355 reaction('CH3COCH2 => CH2CO + CH3', [1.000000e+14, 0.0, 31000.0]) # Reaction 356 reaction('CH2CO + CH3 => CH3COCH2', [1.000000e+11, 0.0, 6000.0]) # Reaction 357 reaction('CH2CCH2OH => C3H4XA + OH', [6.697000e+16, -1.11, 42580.07]) # Reaction 358 reaction('C3H4XA + OH => CH2CCH2OH', [8.500000e+12, 0.0, 2000.0]) # Reaction 359 reaction('CH2CCH2OH + O2 => CH2OH + CO + CH2O', [4.335000e+12, 0.0, 0.0]) # Reaction 360 reaction('CH2CCH2OH => C2H2 + CH2OH', [2.163000e+40, -8.31, 45109.94]) # Reaction 361 reaction('CH3COCH3 + H => CH3COCH2 + H2', [5.628000e+07, 2.0, 7700.05]) # Reaction 362 reaction('CH3COCH3 + OH => CH3COCH2 + H2O', [1.054000e+10, 0.97, 1586.04]) # Reaction 363 reaction('CH3COCH3 + HO2 => CH3COCH2 + H2O2', [1.700000e+13, 0.0, 20460.09]) # Reaction 364 reaction('CH3COCH3 + O => CH3COCH2 + OH', [1.130000e+14, 0.0, 7849.9]) # Reaction 365 reaction('CH3COCH3 => CH3CO + CH3', [1.219000e+23, -1.99, 83950.05]) # Reaction 366 reaction('IXC3H7O2 => IXC3H7 + O2', [2.803000e+17, -0.62, 36039.91]) # Reaction 367 reaction('IXC3H7 + O2 => IXC3H7O2', [7.540000e+12, 0.0, 0.0]) # Reaction 368 reaction('NXC3H7O2 => NXC3H7 + O2', [3.364000e+19, -1.32, 35760.04]) # Reaction 369 reaction('NXC3H7 + O2 => NXC3H7O2', [4.520000e+12, 0.0, 0.0]) # Reaction 370 reaction('C4H6 + OH => CH2O + C3H5XA', [1.000000e+12, 0.0, 0.0]) # Reaction 371 reaction('C4H6 + OH => C2H3 + CH3CHO', [1.000000e+12, 0.0, 0.0]) # Reaction 372 reaction('C4H6 + O => CH2O + C3H4XA', [1.000000e+12, 0.0, 0.0]) # Reaction 373 reaction('C4H6 => 2 C2H3', [4.027000e+19, -1.0, 98150.1]) # Reaction 374 reaction('2 C2H3 => C4H6', [1.260000e+13, 0.0, 0.0]) # Reaction 375 reaction('C4H6 + OH => C2H5 + CH2CO', [1.000000e+12, 0.0, 0.0]) # Reaction 376 reaction('C4H6 + H => C2H3 + C2H4', [1.000000e+13, 0.0, 4700.05]) # Reaction 377 reaction('C4H6 + O => C2H4 + CH2CO', [1.000000e+12, 0.0, 0.0]) # Reaction 378 reaction('C4H7 + CH3 => C4H6 + CH4', [8.000000e+12, 0.0, 0.0]) # Reaction 379 reaction('C3H5XA + C4H7 => C3H6 + C4H6', [6.310000e+12, 0.0, 0.0]) # Reaction 380 reaction('C4H7 + HO2 => C4H7O + OH', [7.000000e+12, 0.0, -1000.0]) # Reaction 381 reaction('C2H5 + C4H7 => C4H6 + C2H6', [3.980000e+12, 0.0, 0.0]) # Reaction 382 reaction('C4H7 + CH3O2 => C4H7O + CH3O', [7.000000e+12, 0.0, -1000.0]) # Reaction 383 reaction('H + C4H7 => C4H8X1', [5.000000e+13, 0.0, 0.0]) # Reaction 384 reaction('C4H7 => C2H4 + C2H3', [1.000000e+11, 0.0, 37000.0]) # Reaction 385 reaction('C4H7 + O2 => C4H6 + HO2', [1.000000e+09, 0.0, 0.0]) # Reaction 386 reaction('H + C4H7 => C4H6 + H2', [3.160000e+13, 0.0, 0.0]) # Reaction 387 reaction('C4H7 => C4H6 + H', [1.200000e+14, 0.0, 49299.95]) # Reaction 388 reaction('C4H6 + H => C4H7', [4.000000e+13, 0.0, 1299.95]) # Reaction 389 reaction('CH3O2 + IXC4H7 => CH3O + IXC4H7O', [7.000000e+12, 0.0, -1000.0]) # Reaction 390 reaction('IXC4H7 + O2 => C3H4XA + CH2O + OH', [7.290000e+29, -5.71, 21450.05]) # Reaction 391 reaction('IXC4H7 + O2 => CH3COCH2 + CH2O', [7.140000e+15, -1.21, 21049.95]) # Reaction 392 reaction('IXC4H7 + HO2 => IXC4H8 + O2', [2.209000e+12, -0.28, 30.11]) # Reaction 393 reaction('IXC4H7 => C3H4XA + CH3', [1.230000e+46, -9.74, 74260.04]) # Reaction 394 reaction('IXC4H7 + O2 => IXC3H5CHO + OH', [2.470000e+13, -0.45, 23020.08]) # Reaction 395 reaction('IXC4H7 + HO2 => IXC4H7O + OH', [2.800000e+13, 0.0, -1000.0]) # Reaction 396 reaction('IXC4H7 + O => IXC3H5CHO + H', [6.030000e+12, 0.0, 0.0]) # Reaction 397 reaction('C4H8X1 => C3H5XA + CH3', [5.000000e+15, 0.0, 71000.0]) # Reaction 398 reaction('C3H5XA + CH3 => C4H8X1', [5.000000e+12, 0.0, 0.0]) # Reaction 399 reaction('C4H8X1 + OH => CH3CHO + C2H5', [1.000000e+12, 0.0, 0.0]) # Reaction 400 reaction('C4H8X1 + H => C4H7 + H2', [5.000000e+13, 0.0, 3900.1]) # Reaction 401 reaction('C4H8X1 + O => C3H6 + CH2O', [7.230000e+05, 2.34, -1049.95]) # Reaction 402 reaction('C4H8X1 + OH => CH3CO + C2H6', [5.000000e+11, 0.0, 0.0]) # Reaction 403 reaction('C4H8X1 + OH => NXC3H7 + CH2O', [1.000000e+12, 0.0, 0.0]) # Reaction 404 reaction('C4H8X1 + O => CH3CO + C2H5', [1.300000e+13, 0.0, 849.9]) # Reaction 405 reaction('C4H8X1 + O2 => C4H7 + HO2', [2.700000e+13, 0.0, 33200.05]) # Reaction 406 reaction('C4H7 + HO2 => C4H8X1 + O2', [3.000000e+11, 0.0, 0.0]) # Reaction 407 reaction('C4H8X1 + OH => C4H7 + H2O', [2.250000e+13, 0.0, 2217.02]) # Reaction 408 reaction('C4H8X1 + HO2 => C4H7 + H2O2', [1.400000e+12, 0.0, 14900.1]) # Reaction 409 reaction('C4H8X1 + O => CH3CHO + C2H4', [1.300000e+13, 0.0, 849.9]) # Reaction 410 reaction('C4H8X1 + CH3 => C4H7 + CH4', [1.000000e+11, 0.0, 7299.95]) # Reaction 411 reaction('IXC4H8 => C3H5XT + CH3', [1.920000e+66, -14.22, 128099.9]) # Reaction 412 reaction('IXC4H8 + HO2 => IXC4H7 + H2O2', [1.928000e+04, 2.6, 13909.89]) # Reaction 413 reaction('IXC4H8 + O => IXC4H7 + OH', [1.206000e+11, 0.7, 7632.89]) # Reaction 414 reaction('IXC4H8 + H => C3H6 + CH3', [5.680000e+33, -5.72, 20000.0]) # Reaction 415 reaction('IXC4H8 + CH3 => IXC4H7 + CH4', [4.420000e+00, 3.5, 5674.95]) # Reaction 416 reaction('IXC4H8 + O => CH2CO + 2 CH3', [3.330000e+07, 1.76, 76.0]) # Reaction 417 reaction('IXC4H8 + OH => IXC4H7 + H2O', [5.200000e+06, 2.0, -298.04]) # Reaction 418 reaction('IXC4H8 + O => IXC3H7 + HCO', [1.580000e+07, 1.76, -1216.06]) # Reaction 419 reaction('IXC4H8 => IXC4H7 + H', [3.070000e+55, -11.49, 114299.95]) # Reaction 420 reaction('IXC4H7 + H => IXC4H8', [3.300000e+52, -11.1, 24460.09]) # Reaction 421 reaction('IXC4H8 + H <=> IXC4H7 + H2', [6.800000e+05, 2.5, 2492.11]) # Reaction 422 reaction('IXC4H8 + O => IXC3H6CO + 2 H', [1.660000e+07, 1.76, 76.0]) # Reaction 423 reaction('IXC4H8 + CH3O2 => IXC4H7 + CH3O2H', [1.928000e+04, 2.6, 13909.89]) # Reaction 424 reaction('IXC4H9 => IXC4H8 + H', [4.980000e+32, -6.23, 40070.03]) # Reaction 425 reaction('IXC4H8 + H => IXC4H9', [1.606000e+29, -5.24, 6265.06]) # Reaction 426 reaction('IXC4H9 => C3H6 + CH3', [1.640000e+37, -7.4, 38669.93]) # Reaction 427 reaction('C3H6 + CH3 => IXC4H9', [1.592000e+34, -7.11, 18030.11]) # Reaction 428 reaction('PXC4H9 => C2H5 + C2H4', [7.497000e+17, -1.41, 29580.07]) # Reaction 429 reaction('C2H5 + C2H4 => PXC4H9', [3.300000e+11, 0.0, 7200.05]) # Reaction 430 reaction('PXC4H9 => C4H8X1 + H', [1.159000e+17, -1.17, 38159.89]) # Reaction 431 reaction('C4H8X1 + H => PXC4H9', [1.000000e+13, 0.0, 2900.1]) # Reaction 432 reaction('TXC4H9 => H + IXC4H8', [4.650000e+46, -9.83, 55080.07]) # Reaction 433 reaction('H + IXC4H8 => TXC4H9', [5.889000e+44, -9.42, 16979.92]) # Reaction 434 reaction('TXC4H9 + HO2 => TXC4H9O + OH', [7.000000e+12, 0.0, -1000.0]) # Reaction 435 reaction('CH3O2 + TXC4H9 => CH3O + TXC4H9O', [7.000000e+12, 0.0, -1000.0]) # Reaction 436 reaction('IXC4H10 <=> CH3 + IXC3H7', [3.640000e+87, -20.2, 130400.1]) # Reaction 437 reaction('IXC4H10 <=> TXC4H9 + H', [2.510000e+98, -23.81, 145299.95]) # Reaction 438 reaction('IXC4H10 <=> IXC4H9 + H', [9.850000e+95, -23.11, 147599.9]) # Reaction 439 reaction('IXC4H10 + H <=> TXC4H9 + H2', [1.810000e+06, 2.54, 6755.98]) # Reaction 440 reaction('IXC4H10 + H <=> IXC4H9 + H2', [6.020000e+05, 2.4, 2582.93]) # Reaction 441 reaction('IXC4H10 + CH3 <=> TXC4H9 + CH4', [1.360000e+00, 3.65, 7153.92]) # Reaction 442 reaction('IXC4H10 + CH3 <=> IXC4H9 + CH4', [9.040000e-01, 3.46, 4597.99]) # Reaction 443 reaction('IXC4H10 + OH <=> TXC4H9 + H2O', [5.730000e+10, 0.51, 63.1]) # Reaction 444 reaction('IXC4H10 + OH <=> IXC4H9 + H2O', [2.290000e+08, 1.53, 776.05]) # Reaction 445 reaction('IXC4H10 + C2H5 <=> IXC4H9 + C2H6', [1.510000e+12, 0.0, 10400.1]) # Reaction 446 reaction('IXC4H10 + C2H5 <=> TXC4H9 + C2H6', [1.000000e+11, 0.0, 7900.1]) # Reaction 447 reaction('IXC4H10 + HO2 <=> IXC4H9 + H2O2', [2.550000e+13, 0.0, 20460.09]) # Reaction 448 reaction('IXC4H10 + HO2 <=> TXC4H9 + H2O2', [2.800000e+12, 0.0, 16000.0]) # Reaction 449 reaction('IXC4H10 + O <=> TXC4H9 + OH', [1.968000e+05, 2.4, 1150.1]) # Reaction 450 reaction('IXC4H10 + O <=> IXC4H9 + OH', [4.046000e+07, 2.03, 5135.99]) # Reaction 451 reaction('IXC4H10 + CH3O <=> IXC4H9 + CH3OH', [4.800000e+11, 0.0, 7000.0]) # Reaction 452 reaction('IXC4H10 + CH3O <=> TXC4H9 + CH3OH', [1.900000e+10, 0.0, 2799.95]) # Reaction 453 reaction('IXC4H10 + O2 <=> IXC4H9 + HO2', [1.800000e+14, 0.0, 46000.0]) # Reaction 454 reaction('IXC4H10 + O2 <=> TXC4H9 + HO2', [2.040000e+13, 0.0, 41349.9]) # Reaction 455 reaction('C4H10 <=> 2 C2H5', [3.458000e+24, -2.3, 87750.0]) # Reaction 456 reaction('C4H10 <=> NXC3H7 + CH3', [1.366000e+21, -1.52, 87320.03]) # Reaction 457 reaction('C4H10 <=> PXC4H9 + H', [4.559000e+21, -1.69, 103700.05]) # Reaction 458 reaction('C4H10 + O2 <=> PXC4H9 + HO2', [6.000000e+13, 0.0, 52340.11]) # Reaction 459 reaction('C4H10 + C3H5XA <=> PXC4H9 + C3H6', [7.940000e+11, 0.0, 20500.0]) # Reaction 460 reaction('C4H10 + C2H5 <=> PXC4H9 + C2H6', [1.580000e+11, 0.0, 12299.95]) # Reaction 461 reaction('C4H10 + C2H3 <=> PXC4H9 + C2H4', [1.000000e+12, 0.0, 18000.0]) # Reaction 462 reaction('C4H10 + CH3 <=> PXC4H9 + CH4', [9.040000e-01, 3.65, 7153.92]) # Reaction 463 reaction('C4H10 + H <=> PXC4H9 + H2', [5.218000e-10, 7.73, 7143.88]) # Reaction 464 reaction('C4H10 + OH => PXC4H9 + H2O', [1.054000e+10, 0.97, 1586.04]) # Reaction 465 reaction('PXC4H9 + H2O => C4H10 + OH', [6.815000e+06, 1.66, 20460.09]) # Reaction 466 reaction('C4H10 + O <=> PXC4H9 + OH', [1.130000e+14, 0.0, 7849.9]) # Reaction 467 reaction('C4H10 + HO2 <=> PXC4H9 + H2O2', [1.700000e+13, 0.0, 20460.09]) # Reaction 468 reaction('C4H10 + CH3O <=> PXC4H9 + CH3OH', [3.000000e+11, 0.0, 7000.0]) # Reaction 469 reaction('IXC3H5CO => C3H5XT + CO', [1.278000e+20, -1.89, 34460.09]) # Reaction 470 reaction('IXC3H5CHO + OH => IXC3H5CO + H2O', [2.690000e+10, 0.76, -340.11]) # Reaction 471 reaction('IXC3H5CHO + O => IXC3H5CO + OH', [7.180000e+12, 0.0, 1389.1]) # Reaction 472 reaction('IXC3H5CHO + HO2 => IXC3H5CO + H2O2', [1.000000e+12, 0.0, 11919.93]) # Reaction 473 reaction('IXC3H5CHO + H => IXC3H5CO + H2', [2.600000e+12, 0.0, 2599.9]) # Reaction 474 reaction('IXC3H5CHO + CH3 => IXC3H5CO + CH4', [3.980000e+12, 0.0, 8700.05]) # Reaction 475 reaction('IXC3H6CO + O => CH3COCH3 + CO', [3.200000e+12, 0.0, -436.9]) # Reaction 476 reaction('IXC3H6CO + OH => IXC3H7 + CO2', [1.730000e+12, 0.0, -1010.04]) # Reaction 477 reaction('IXC3H6CO + H => IXC3H7 + CO', [4.400000e+12, 0.0, 1458.89]) # Reaction 478 reaction('IXC4H6OH + H => IXC4H7OH', [1.000000e+14, 0.0, 0.0]) # Reaction 479 reaction('IXC4H6OH + CH2O => IXC4H7OH + HCO', [6.300000e+08, 1.9, 18190.01]) # Reaction 480 reaction('IXC4H6OH => C3H4XA + CH2OH', [1.723000e+22, -2.71, 54979.92]) # Reaction 481 reaction('IXC4H6OH + HO2 => CH2CCH2OH + CH2O + OH', [1.446000e+13, 0.0, 0.0]) # Reaction 482 reaction('IXC4H6OH + HO2 => IXC4H7OH + O2', [4.192000e+13, -0.28, 9.08]) # Reaction 483 reaction('C4H7O => CH3CHO + C2H3', [7.940000e+14, 0.0, 19000.0]) # Reaction 484 reaction('C4H7O => C2H3CHO + CH3', [7.940000e+14, 0.0, 19000.0]) # Reaction 485 reaction('IXC4H7O => C3H5XT + CH2O', [1.013000e+18, -1.45, 30840.11]) # Reaction 486 reaction('IXC4H7O => IXC3H5CHO + H', [5.000000e+13, 0.0, 29099.9]) # Reaction 487 reaction('IXC4H7O => IXC4H6OH', [1.391000e+11, 0.0, 15599.9]) # Reaction 488 reaction('IXC4H6OH => IXC4H7O', [4.233000e+11, -0.16, 31669.93]) # Reaction 489 reaction('IXC4H7O + O2 => IXC3H5CHO + HO2', [3.000000e+10, 0.0, 1648.9]) # Reaction 490 reaction('IXC4H7 + OH => IXC4H7OH', [3.000000e+12, 0.0, 0.0]) # Reaction 491 reaction('IXC4H7OH => IXC4H7 + OH', [7.310000e+16, -0.41, 79700.05]) # Reaction 492 reaction('IXC4H7OH + HO2 => IXC4H6OH + H2O2', [7.922000e+02, 2.98, 12299.95]) # Reaction 493 reaction('IXC4H7OH + OH => IXC4H6OH + H2O', [3.120000e+06, 2.0, -298.04]) # Reaction 494 reaction('IXC4H7OH => CH2CCH2OH + CH3', [1.247000e+20, -0.98, 98570.03]) # Reaction 495 reaction('TXC4H9O => CH3COCH3 + CH3', [4.865000e+14, -0.25, 15239.96]) # Reaction 496 reaction('C4H8OOH1X3 => OH + CH2O + C3H6', [6.637000e+13, -0.16, 29900.1]) # Reaction 497 reaction('IXC4H9O2 => IC4H8O2HXT', [1.693000e+11, 0.004, 24209.37]) # Reaction 498 reaction('IC4H8O2HXT => IXC4H9O2', [1.178000e+21, -3.382, 16395.08]) # Reaction 499 reaction('IXC4H9O2 => IXC4H9 + O2', [1.260000e+20, -1.61, 35669.93]) # Reaction 500 reaction('IXC4H9 + O2 => IXC4H9O2', [2.260000e+12, 0.0, 0.0]) # Reaction 501 reaction('TXC4H9O2 + IXC4H7 => TXC4H9O + IXC4H7O', [7.000000e+12, 0.0, -1000.0]) # Reaction 502 reaction('TXC4H9O2 + CH3 => TXC4H9O + CH3O', [7.000000e+12, 0.0, -1000.0]) # Reaction 503 reaction('2 TXC4H9O2 => O2 + 2 TXC4H9O', [1.400000e+16, -1.61, 1859.94]) # Reaction 504 reaction('TXC4H9O2 => TXC4H9 + O2', [4.897000e+24, -2.51, 37460.09]) # Reaction 505 reaction('TXC4H9 + O2 => TXC4H9O2', [1.410000e+13, 0.0, 0.0]) # Reaction 506 reaction('TXC4H9O2 + CH3O2 => TXC4H9O + CH3O + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 507 reaction('TXC4H9O2 => TC4H8O2HXI', [9.000000e+11, 0.0, 29400.1]) # Reaction 508 reaction('TC4H8O2HXI => TXC4H9O2', [2.027000e+09, 0.12, 11840.11]) # Reaction 509 reaction('TXC4H9O2 + TXC4H9 => 2 TXC4H9O', [7.000000e+12, 0.0, -1000.0]) # Reaction 510 reaction('TC4H8O2HXI => IXC4H8 + HO2', [7.158000e+19, -2.12, 20659.89]) # Reaction 511 reaction('IXC4H8 + HO2 => TC4H8O2HXI', [3.970000e+11, 0.0, 12619.98]) # Reaction 512 reaction('PXC4H9O2 => C4H8OOH1X3', [2.500000e+10, 0.0, 20849.9]) # Reaction 513 reaction('C4H8OOH1X3 => PXC4H9O2', [3.231000e+09, -0.14, 7870.94]) # Reaction 514 reaction('PXC4H9O2 => PXC4H9 + O2', [6.155000e+19, -1.38, 35510.04]) # Reaction 515 reaction('PXC4H9 + O2 => PXC4H9O2', [4.520000e+12, 0.0, 0.0]) # Reaction 516 reaction('IC4H8O2HXT => OH + CH2O + C3H6', [1.627000e+49, -10.602, 47739.96]) # Reaction 517 reaction('IC4H8O2HXT => IXC4H8 + HO2', [7.954000e+07, 1.153, 14323.85]) # Reaction 518 reaction('IXC4H8 + HO2 => IC4H8O2HXT', [3.970000e+11, 0.0, 12619.98]) # Reaction 519 reaction('C5H9 => C4H6 + CH3', [1.339000e+15, -0.52, 38320.03]) # Reaction 520 reaction('C4H6 + CH3 => C5H9', [1.750000e+11, 0.0, 7599.9]) # Reaction 521 reaction('C5H9 => C3H5XA + C2H4', [2.500000e+13, 0.0, 45000.0]) # Reaction 522 reaction('IXC5H9 => C3H4XA + C2H5', [1.983000e+20, -1.63, 59239.96]) # Reaction 523 reaction('AXC5H10 + O => IXC5H9 + OH', [3.700000e+05, 2.56, -1130.02]) # Reaction 524 reaction('AXC5H10 + CH3 => IXC5H9 + CH4', [5.000000e+11, 0.0, 7299.95]) # Reaction 525 reaction('AXC5H10 => IXC4H7 + CH3', [7.127000e+16, -0.65, 73539.91]) # Reaction 526 reaction('IXC4H7 + CH3 => AXC5H10', [2.550000e+13, -0.32, -130.98]) # Reaction 527 reaction('C5H10X1 + O => C5H9 + OH', [2.540000e+05, 2.56, -1130.02]) # Reaction 528 reaction('C5H10X1 => C2H5 + C3H5XA', [9.173000e+20, -1.63, 73989.96]) # Reaction 529 reaction('C2H5 + C3H5XA => C5H10X1', [4.000000e+12, 0.0, -596.08]) # Reaction 530 reaction('C5H10X1 + H => C5H9 + H2', [2.800000e+13, 0.0, 4000.0]) # Reaction 531 reaction('C5H10X1 + OH => C5H9 + H2O', [5.120000e+06, 2.0, -298.04]) # Reaction 532 reaction('C5H10X1 + OH => PXC4H9 + CH2O', [1.000000e+11, 0.0, 0.0]) # Reaction 533 reaction('C5H10X1 + CH3 => C5H9 + CH4', [1.000000e+11, 0.0, 7299.95]) # Reaction 534 reaction('NEOXC5H11 => IXC4H8 + CH3', [3.056000e+17, -1.2, 32289.91]) # Reaction 535 reaction('IXC4H8 + CH3 => NEOXC5H11', [1.350000e+11, 0.0, 11599.9]) # Reaction 536 reaction('C5H11X1 => C2H4 + NXC3H7', [7.305000e+18, -1.767, 29919.46]) # Reaction 537 reaction('C5H11X1 <=> C5H10X1 + H', [1.325000e+15, -0.554, 37516.73]) # Reaction 538 reaction('C5H11X1 => C3H6 + C2H5', [5.948000e+17, -1.268, 32384.32]) # Reaction 539 reaction('C3H6 + C2H5 => C5H11X1', [3.300000e+11, -0.0, 7200.05]) # Reaction 540 reaction('C6H11 => C3H6 + C3H5XA', [2.500000e+13, 0.0, 45000.0]) # Reaction 541 reaction('C6H12X1 + H => C6H11 + H2', [3.700000e+13, 0.0, 3900.1]) # Reaction 542 reaction('C6H12X1 + CH3 => C6H11 + CH4', [1.000000e+12, 0.0, 7299.95]) # Reaction 543 reaction('C6H12X1 => NXC3H7 + C3H5XA', [1.000000e+16, 0.0, 71000.0]) # Reaction 544 reaction('NXC3H7 + C3H5XA => C6H12X1', [1.000000e+13, 0.0, 0.0]) # Reaction 545 reaction('C6H12X1 + OH => C6H11 + H2O', [3.000000e+13, 0.0, 1229.92]) # Reaction 546 reaction('C6H12X1 + OH => C5H11X1 + CH2O', [1.000000e+11, -0.0, -4000.0]) # Reaction 547 reaction('C6H13X1 => C6H12X1 + H', [2.091000e+16, -0.89, 37940.01]) # Reaction 548 reaction('C6H12X1 + H => C6H13X1', [1.000000e+13, 0.0, 2900.1]) # Reaction 549 reaction('C6H13X1 => C2H4 + PXC4H9', [5.446000e+17, -1.29, 29580.07]) # Reaction 550 reaction('XXC7H13 + HO2 => XC7H13OXZ + OH', [1.000000e+13, -0.0, 0.0]) # Reaction 551 reaction('YXC7H14 => IXC3H7 + IXC4H7', [1.023000e+30, -4.441, 76102.29]) # Reaction 552 reaction('IXC3H7 + IXC4H7 => YXC7H14', [1.280000e+14, -0.35, -0.0]) # Reaction 553 reaction('YXC7H14 => TXC4H9 + C3H5XA', [3.148000e+35, -6.213, 75589.39]) # Reaction 554 reaction('TXC4H9 + C3H5XA => YXC7H14', [7.220000e+14, -0.75, -130.98]) # Reaction 555 reaction('YXC7H14 + OH => XXC7H13 + H2O', [1.833000e-09, 6.316, -10582.93]) # Reaction 556 reaction('XXC7H13 + H2O => YXC7H14 + OH', [6.762000e+01, 3.746, 33244.26]) # Reaction 557 reaction('YXC7H14 + H => XXC7H13 + H2', [9.296000e-09, 6.317, -8827.2]) # Reaction 558 reaction('XXC7H13 + H2 => YXC7H14 + H', [4.048000e+06, 2.356, 22066.92]) # Reaction 559 reaction('C7H15X2 => C5H11X1 + C2H4', [3.734000e+15, -0.927, 29637.91]) # Reaction 560 reaction('H + C7H15X2 => NXC7H16', [8.515000e+81, -20.054, 40071.94]) # Reaction 561 reaction('C7H15X2 => PXC4H9 + C3H6', [5.313000e+17, -1.411, 31432.84]) # Reaction 562 reaction('C7H15X2 => C4H8X1 + NXC3H7', [2.454000e+18, -1.654, 31635.52]) # Reaction 563 reaction('C7H15X2 => C6H12X1 + CH3', [2.617000e+14, -0.654, 29745.46]) # Reaction 564 reaction('C6H12X1 + CH3 => C7H15X2', [1.750000e+11, 0.0, 7200.05]) # Reaction 565 reaction('C7H15X2 => C2H5 + C5H10X1', [1.368000e+17, -1.394, 29858.99]) # Reaction 566 reaction('YXC7H15 => TXC4H9 + C3H6', [3.630000e-05, 4.393, 7762.43]) # Reaction 567 reaction('YXC7H15 => YXC7H14 + H', [3.789000e+12, 0.424, 36566.68]) # Reaction 568 reaction('YXC7H14 + H => YXC7H15', [5.232000e+15, -0.656, 3286.33]) # Reaction 569 reaction('YXC7H15 => IXC3H7 + IXC4H8', [5.822000e+11, 0.362, 28648.66]) # Reaction 570 reaction('NXC7H16 + HO2 => C7H15X2 + H2O2', [7.741000e+12, 0.203, 17636.95]) # Reaction 571 reaction('NXC7H16 + CH3 => C7H15X2 + CH4', [1.442000e+04, 2.573, 6933.56]) # Reaction 572 reaction('NXC7H16 => C6H13X1 + CH3', [2.925000e+73, -16.61, 118900.1]) # Reaction 573 reaction('C6H13X1 + CH3 => NXC7H16', [8.348000e+66, -15.75, 31830.07]) # Reaction 574 reaction('NXC7H16 + CH3O => C7H15X2 + CH3OH', [2.689000e+11, 0.136, 5069.55]) # Reaction 575 reaction('NXC7H16 + C2H5 => C7H15X2 + C2H6', [2.500000e+11, -0.0, 10400.1]) # Reaction 576 reaction('NXC7H16 + O => C7H15X2 + OH', [1.766000e+05, 2.802, 2265.3]) # Reaction 577 reaction('NXC7H16 + O2 => C7H15X2 + HO2', [2.956000e+13, 0.195, 50114.24]) # Reaction 578 reaction('C7H15X2 + HO2 => NXC7H16 + O2', [1.917000e+08, 0.871, -1588.91]) # Reaction 579 reaction('NXC7H16 + OH => C7H15X2 + H2O', [7.518000e+08, 1.494, 260.52]) # Reaction 580 reaction('NXC7H16 + H => C7H15X2 + H2', [1.749000e+06, 2.6, 4361.85]) # Reaction 581 reaction('NXC7H16 => PXC4H9 + NXC3H7', [1.415000e+78, -17.71, 120700.05]) # Reaction 582 reaction('PXC4H9 + NXC3H7 => NXC7H16', [1.363000e+68, -16.11, 32460.09]) # Reaction 583 reaction('NXC7H16 + CH3O2 => C7H15X2 + CH3O2H', [5.646000e+12, 0.201, 17650.33]) # Reaction 584 reaction('NXC7H16 => C5H11X1 + C2H5', [8.100000e+77, -17.62, 120400.1]) # Reaction 585 reaction('C5H11X1 + C2H5 => NXC7H16', [7.603000e+68, -16.377, 32479.45]) # Reaction 586 reaction('XC7H13OXZ => IXC3H5CHO + IXC3H7', [7.892000e+20, -2.011, 17639.1]) # Reaction 587 reaction('CXC8H17 => IXC4H8 + TXC4H9', [4.535000e+17, -1.394, 28754.06]) # Reaction 588 reaction('CXC8H17 => YXC7H14 + CH3', [5.989000e+24, -3.322, 35623.8]) # Reaction 589 reaction('CXC8H17 => IXC4H8 + IXC4H9', [7.016000e+23, -3.44, 28871.41]) # Reaction 590 reaction('CXC8H17 => C3H6 + NEOXC5H11', [3.014000e+18, -1.614, 33488.77]) # Reaction 591 reaction('IXC8H18 + OH => CXC8H17 + H2O', [1.648000e+07, 1.934, -163.0]) # Reaction 592 reaction('IXC8H18 => YXC7H15 + CH3', [1.636000e+49, -9.435, 96700.53]) # Reaction 593 reaction('IXC8H18 => TXC4H9 + IXC4H9', [1.940000e+57, -11.84, 98979.92]) # Reaction 594 reaction('IXC8H18 + HO2 => CXC8H17 + H2O2', [8.014000e+11, 0.472, 17487.33]) # Reaction 595 reaction('IXC8H18 + CH3 => CXC8H17 + CH4', [1.912000e-18, 9.189, -1932.12]) # Reaction 596 reaction('IXC8H18 => NEOXC5H11 + IXC3H7', [5.750000e+49, -9.66, 98039.91]) # Reaction 597 reaction('IXC8H18 + CH3O => CXC8H17 + CH3OH', [9.359000e+10, 0.262, 5416.11]) # Reaction 598 reaction('IXC8H18 + H => CXC8H17 + H2', [1.049000e+03, 3.544, 3217.97]) # Reaction 599 reaction('IXC8H18 + O => CXC8H17 + OH', [2.115000e+04, 3.001, 1526.29]) # Reaction 600 reaction('IXC8H18 + CH3O2 => CXC8H17 + CH3O2H', [8.014000e+11, 0.472, 17487.33]) # Reaction 601 reaction('IXC8H18 + O2 <=> CXC8H17 + HO2', [1.173000e+12, 0.534, 47546.61])