""" This is the complete reaction mechanism: for the surrogate So (30.3% n-dodecane, 21.2% m-xylene, 48.5% methylcyclohexane mol%) in Chemkin format ---------------------------- In case of any issues compiling this mechanism, please contact one of the authors Krithika Narayanaswamy (krithika@iitm.ac.in) Heinz Pitsch (h.pitsch@itv.rwth-aachen.de) Perrine Pepiot (pp427@cornell.edu) ---------------------------- The sources of different reaction rate constants are available in the complete mechanism file in FlameMaster format in Ref. [Narayanaswamy et al. Combustion Flame, 2015] ---------------------------- """ units(length='cm', time='s', quantity='mol', act_energy='cal/mol') ideal_gas(name='gas', elements="N H O Ar He C", species="""N2 H O2 O OH H2 H2O AR HO2 H2O2 CO CO2 HCO C CH T-CH2 CH3 CH2O HCCO C2H CH2CO C2H2 S-CH2 CH3OH CH2OH CH3O CH4 CH3O2 C2H3 C2H4 C2H5 HCCOH CH2CHO CH3CHO H2C2 C2H5O N-C3H7 C2H6 C3H8 C3H6 C3H3 P-C3H4 A-C3H4 S-C3H5 N-C4H3 C2H3CHO A-C3H5 C2O C4H4 C3H2 C3H2O C4H2 I-C4H3 T-C3H5 C3H5O C4H C8H2 C6H2 C4H6 N-C4H5 I-C4H5 A1 C5H11 P-C4H9 C7H15 P-C4H8 C5H10 C7H14 C7H15O C3H7CHO C4H7 C5H9 C4H7O N-C3H7O I-C4H8 I-C3H7 T-C4H9 CH3COCH3 I-C4H7 I-C3H5CHO T-C4H9O I-C4H7O C5H4CH2 A1- A1C2H2 A1C2H3 A1C2H A1C2H* A1C2H3* A2- A2 A2* A2C2H2A A2C2H2B A2C2HA A2C2HB A2C2HA* A2C2HB* A2R5 A2R5- A2R5C2H2 A2R5C2H A2R5C2H* P2 P2- A3- A3 A3* A3R5- A3R5 A4 A4- A4R5 FLTN C5H6 C5H5 T-C5H5O C5H4O S-C5H5O C9H8 C9H7 A1CH2 C9H6O O-C6H4 A1CH3 A1OH HOA1CH3 OA1CH3 A1CH2O A1CH2OH A1CHO A1O A1CH3* A1C2H4 A1C2H5 C8H9O2 C8H8OOH OC8H7OOH A1CH3CH3 A1CH3CH2 A1CH3CHO A2CH3 A1CHOCH2 A1CHOCHO A2OH A2CH2 A2CH2O A2CHO A2O OC6H4O C5H81-3 C7H13 C6H13 OCHO HOCHO HOCH2O O2CHO HO2CHO CH3CO CH3CO2 CH3OCO C2H5O2 CH3CO3 CH3CO3H C3H6O1-2 C2H5CO CH3COCH2 C2H5CHO CH3COCH2O C3H6OOH1-2 I-C3H7O2 N-C3H7O2 CH3COCH2O2 CH3COCH2O2H C6H12-1 C2H5COCH2 P-C4H9O2 C4H9CO N-C4H9CHO C5H10OOH1-3 C5H11O2-1 NC5KET13 C5H10OOH1-3O2 C6H11 C6H13O-1 N-C12H26 C5H11CO N-C5H11CHO C6H12OOH1-3 C6H13O2-1 NC6KET13 C6H12OOH1-3O2 C6H13CO N-C6H13CHO C7H14OOH1-3 C7H15O2-1 NC7KET13 C7H14OOH1-3O2 C8H15 C8H16-1 C8H17 C8H17O2-1 C7H15CO N-C7H15CHO C8OOH1-3 C8OOH1-3O2 C8KET1-3 C9H17 C9H18-1 C9H19 C9H19O2-1 C8H17CO N-C8H17CHO C9OOH1-3 C9OOH1-3O2 C9KET1-3 C10H19 C10H20-1 C10H21 C10H21O2-1 C9H19CO C10OOH1-3 C10OOH1-3O2 C10KET1-3 C11H21 C11H22-1 C11H23-1 C11H23O2-1 C12H23 C12H24 C12H25 C12H25O C12H25O2 C12O-R4 C12O-R5 C12OOH-T6 C12OOH-T7 C12OOH-T5 C12OOHO2-T6 C12OOHO2-T7 C12KET-T6 C12KET-T7 N-C9H19CHO C4H8-2 C2H5O2H CH3CHCO CH3CHCHO HE CDCCDCCJ S-C2H4OH C2H4O2H X15-C6H10 CH2CH2CHO CH3CHOCHO I-C5H8 C2H3CHOCH2 CC5H9A CJDCCDCDO CDCCDCDO C2H3CHCHO S-C3H5CO C4H6O23 S-C3H5CHO C3H6CHO-1 CPDOOH CDCCJCDC I-C5H7 IC5H6OJ AC5H9D CPDJONE CY-C5H4OH C3H6COCH3-1 C4H8CHO-1 CY-C6H7 X13CYCHEX CYCHEXENE CYCC6H92 CYCC6H91 X14CYCHEX X13C6H96 X15C6H93 X135 X13-C6H10 CYCHEXRAD C6H11X CHX1O2J CHXO12 CHXCHO2OJ CHX1O2O MCH2O1OJ CHX1O3O MCHOOJ-T6 MCHJDE MCHDE MCHJE MCHE X13C7H116 X135C7H10 X15C7H114 X15C7H12 CYCHEXCH2 CHXDCH2 MCH1QX CHXJ1CH2Q MCH2QJ1 MCHQ-T5S MCHR4 MCHR3 MCHR2 MCHR1 C7H12 AC7H13C AC7H13F CHXCH2OJ CHXCH2OO EC7H13A GC7H13I GC7H13L KC7H13G MCH1OO MCH1OJ MCH2OJ MCH2OO MCH3OO MCH3OJ MCH4OO MCH4OJ MCH-C7H14 C7ENEJ-ONE CCXCDCCCCO MCHYO25 CCOCCCCCX CCXCCCCCO C7ENE-ONE MCHYO24 C6H11CHO1 IC6H12CHO CHXDO MCHO MCH2O4O MCH3O5O MCH2OXOJ CHXCH2OOH CHXJ2CH2Q MCHYO23 CHXYCO-2 MCHXQ2QJ MCH1OOH MCHQ-T7 MCH1QJ3 MCH2OOH MCH2QX MCHQ-T6 MCH2Q1QJ MCH2QXQJ MCH3OOH MCHQQJ-T6 MCH4OOH CHXCHO2Q MCH2O1Q MCH2OXQ MCHQO-T6""", reactions='all', transport='Mix', initial_state=state(temperature=300.0, pressure=OneAtm)) #------------------------------------------------------------------------------- # Species data #------------------------------------------------------------------------------- species(name=u'N2', atoms='N:2', thermo=(NASA([300.00, 1000.00], [ 3.29867700E+00, 1.40824000E-03, -3.96322200E-06, 5.64151500E-09, -2.44485500E-12, -1.02090000E+03, 3.95037200E+00]), NASA([1000.00, 5000.00], [ 2.92664000E+00, 1.48797700E-03, -5.68476100E-07, 1.00970400E-10, -6.75335100E-15, -9.22797700E+02, 5.98052800E+00])), transport=gas_transport(geom='linear', diam=3.621, well_depth=97.53, polar=1.76, rot_relax=4.0), note=u'121286') species(name=u'H', atoms='H:1', thermo=(NASA([300.00, 1000.00], [ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 2.54716300E+04, -4.60117600E-01]), NASA([1000.00, 5000.00], [ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 2.54716300E+04, -4.60117600E-01])), transport=gas_transport(geom='atom', diam=2.05, well_depth=145.0), note=u'120186') species(name=u'O2', atoms='O:2', thermo=(NASA([300.00, 1000.00], [ 3.21293600E+00, 1.12748600E-03, -5.75615000E-07, 1.31387700E-09, -8.76855400E-13, -1.00524900E+03, 6.03473800E+00]), NASA([1000.00, 5000.00], [ 3.69757800E+00, 6.13519700E-04, -1.25884200E-07, 1.77528100E-11, -1.13643500E-15, -1.23393000E+03, 3.18916600E+00])), transport=gas_transport(geom='linear', diam=3.458, well_depth=107.4, polar=1.6, rot_relax=3.8), note=u'121386') species(name=u'O', atoms='O:1', thermo=(NASA([300.00, 1000.00], [ 2.94642900E+00, -1.63816600E-03, 2.42103200E-06, -1.60284300E-09, 3.89069600E-13, 2.91476400E+04, 2.96399500E+00]), NASA([1000.00, 5000.00], [ 2.54206000E+00, -2.75506200E-05, -3.10280300E-09, 4.55106700E-12, -4.36805200E-16, 2.92308000E+04, 4.92030800E+00])), transport=gas_transport(geom='atom', diam=2.75, well_depth=80.0), note=u'120186') species(name=u'OH', atoms='H:1 O:1', thermo=(NASA([200.00, 1000.00], [ 4.12530561E+00, -3.22544939E-03, 6.52764691E-06, -5.79853643E-09, 2.06237379E-12, 3.34630913E+03, -6.90432960E-01]), NASA([1000.00, 6000.00], [ 2.86472886E+00, 1.05650448E-03, -2.59082758E-07, 3.05218674E-11, -1.33195876E-15, 3.68362875E+03, 5.70164073E+00])), transport=gas_transport(geom='linear', diam=2.75, well_depth=80.0), note=u'S9/01') species(name=u'H2', atoms='H:2', thermo=(NASA([300.00, 1000.00], [ 3.29812400E+00, 8.24944200E-04, -8.14301500E-07, -9.47543400E-11, 4.13487200E-13, -1.01252100E+03, -3.29409400E+00]), NASA([1000.00, 5000.00], [ 2.99142300E+00, 7.00064400E-04, -5.63382900E-08, -9.23157800E-12, 1.58275200E-15, -8.35034000E+02, -1.35511000E+00])), transport=gas_transport(geom='linear', diam=2.92, well_depth=38.0, polar=0.79, rot_relax=280.0), note=u'121286') species(name=u'H2O', atoms='H:2 O:1', thermo=(NASA([300.00, 1000.00], [ 3.38684200E+00, 3.47498200E-03, -6.35469600E-06, 6.96858100E-09, -2.50658800E-12, -3.02081100E+04, 2.59023300E+00]), NASA([1000.00, 5000.00], [ 2.67214600E+00, 3.05629300E-03, -8.73026000E-07, 1.20099600E-10, -6.39161800E-15, -2.98992100E+04, 6.86281700E+00])), transport=gas_transport(geom='nonlinear', diam=2.605, well_depth=572.4, dipole=1.844, rot_relax=4.0), note=u'20387') species(name=u'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=u'120186') species(name=u'HO2', atoms='H:1 O:2', thermo=(NASA([200.00, 1000.00], [ 4.30179801E+00, -4.74912051E-03, 2.11582891E-05, -2.42763894E-08, 9.29225124E-12, 2.94808040E+02, 3.71666245E+00]), NASA([1000.00, 3500.00], [ 4.01721090E+00, 2.23982013E-03, -6.33658150E-07, 1.14246370E-10, -1.07908535E-14, 1.11856713E+02, 3.78510215E+00])), transport=gas_transport(geom='nonlinear', diam=3.458, well_depth=107.4, rot_relax=1.0), note=u'L5/89') species(name=u'H2O2', atoms='H:2 O:2', thermo=(NASA([300.00, 1000.00], [ 3.38875400E+00, 6.56922600E-03, -1.48501300E-07, -4.62580600E-09, 2.47151500E-12, -1.76631500E+04, 6.78536300E+00]), NASA([1000.00, 5000.00], [ 4.57316700E+00, 4.33613600E-03, -1.47468900E-06, 2.34890400E-10, -1.43165400E-14, -1.80069600E+04, 5.01137000E-01])), transport=gas_transport(geom='nonlinear', diam=3.458, well_depth=107.4, rot_relax=3.8), note=u'120186') species(name=u'CO', atoms='C:1 O:1', thermo=(NASA([300.00, 1000.00], [ 3.26245200E+00, 1.51194100E-03, -3.88175500E-06, 5.58194400E-09, -2.47495100E-12, -1.43105400E+04, 4.84889700E+00]), NASA([1000.00, 5000.00], [ 3.02507800E+00, 1.44268900E-03, -5.63082800E-07, 1.01858100E-10, -6.91095200E-15, -1.42683500E+04, 6.10821800E+00])), transport=gas_transport(geom='linear', diam=3.65, well_depth=98.1, polar=1.95, rot_relax=1.8), note=u'121286') species(name=u'CO2', atoms='C:1 O:2', thermo=(NASA([300.00, 1000.00], [ 2.27572500E+00, 9.92207200E-03, -1.04091100E-05, 6.86668700E-09, -2.11728000E-12, -4.83731400E+04, 1.01884900E+01]), NASA([1000.00, 5000.00], [ 4.45362300E+00, 3.14016900E-03, -1.27841100E-06, 2.39399700E-10, -1.66903300E-14, -4.89669600E+04, -9.55395900E-01])), transport=gas_transport(geom='linear', diam=3.763, well_depth=244.0, polar=2.65, rot_relax=2.1), note=u'121286') species(name=u'HCO', atoms='H:1 C:1 O:1', thermo=(NASA([200.00, 1000.00], [ 4.22118584E+00, -3.24392532E-03, 1.37799446E-05, -1.33144093E-08, 4.33768865E-12, 3.83956496E+03, 3.39437243E+00]), NASA([1000.00, 3500.00], [ 2.77217438E+00, 4.95695526E-03, -2.48445613E-06, 5.89161778E-10, -5.33508711E-14, 4.01191815E+03, 9.79834492E+00])), transport=gas_transport(geom='nonlinear', diam=3.59, well_depth=498.0), note=u'L12/89') species(name=u'C', atoms='C:1', thermo=(NASA([200.00, 1000.00], [ 2.55423955E+00, -3.21537724E-04, 7.33792245E-07, -7.32234889E-10, 2.66521446E-13, 8.54438832E+04, 4.53130848E+00]), NASA([1000.00, 3500.00], [ 2.49266888E+00, 4.79889284E-05, -7.24335020E-08, 3.74291029E-11, -4.87277893E-15, 8.54512953E+04, 4.80150373E+00])), transport=gas_transport(geom='atom', diam=3.298, well_depth=71.4), note=u'L11/88') species(name=u'CH', atoms='H:1 C:1', thermo=(NASA([200.00, 1000.00], [ 3.48981665E+00, 3.23835541E-04, -1.68899065E-06, 3.16217327E-09, -1.40609067E-12, 7.07972934E+04, 2.08401108E+00]), NASA([1000.00, 3500.00], [ 2.87846473E+00, 9.70913681E-04, 1.44445655E-07, -1.30687849E-10, 1.76079383E-14, 7.10124364E+04, 5.48497999E+00])), transport=gas_transport(geom='linear', diam=2.75, well_depth=80.0), note=u'TPIS79') species(name=u'T-CH2', atoms='H:2 C:1', thermo=(NASA([200.00, 1000.00], [ 3.76267867E+00, 9.68872143E-04, 2.79489841E-06, -3.85091153E-09, 1.68741719E-12, 4.60040401E+04, 1.56253185E+00]), NASA([1000.00, 3500.00], [ 2.87410113E+00, 3.65639292E-03, -1.40894597E-06, 2.60179549E-10, -1.87727567E-14, 4.62636040E+04, 6.17119324E+00])), transport=gas_transport(geom='linear', diam=3.8, well_depth=144.0), note=u'LS/93') species(name=u'CH3', atoms='H:3 C:1', thermo=(NASA([200.00, 1000.00], [ 3.65717970E+00, 2.12659790E-03, 5.45838830E-06, -6.61810030E-09, 2.46570740E-12, 1.64227160E+04, 1.67353540E+00]), NASA([1000.00, 6000.00], [ 2.97812060E+00, 5.79785200E-03, -1.97558000E-06, 3.07297900E-10, -1.79174160E-14, 1.65095130E+04, 4.72247990E+00])), transport=gas_transport(geom='linear', diam=3.8, well_depth=144.0), note=u'METHYLIU0702') species(name=u'CH2O', atoms='H:2 C:1 O:1', thermo=(NASA([200.00, 1000.00], [ 4.79372315E+00, -9.90833369E-03, 3.73220008E-05, -3.79285261E-08, 1.31772652E-11, -1.43089567E+04, 6.02812900E-01]), NASA([1000.00, 3500.00], [ 1.76069008E+00, 9.20000082E-03, -4.42258813E-06, 1.00641212E-09, -8.83855640E-14, -1.39958323E+04, 1.36563230E+01])), transport=gas_transport(geom='nonlinear', diam=3.59, well_depth=498.0, rot_relax=2.0), note=u'L8/88') species(name=u'HCCO', atoms='H:1 C:2 O:1', thermo=(NASA([300.00, 1000.00], [ 2.25172140E+00, 1.76550210E-02, -2.37291010E-05, 1.72757590E-08, -5.06648110E-12, 2.00594490E+04, 1.24904170E+01]), NASA([1000.00, 4000.00], [ 5.62820580E+00, 4.08534010E-03, -1.59345470E-06, 2.86260520E-10, -1.94078320E-14, 1.93272150E+04, -3.93025950E+00])), transport=gas_transport(geom='nonlinear', diam=2.5, well_depth=150.0, rot_relax=1.0), note=u'SRIC91') species(name=u'C2H', atoms='H:1 C:2', thermo=(NASA([200.00, 1000.00], [ 2.88965733E+00, 1.34099611E-02, -2.84769501E-05, 2.94791045E-08, -1.09331511E-11, 6.68393932E+04, 6.22296438E+00]), NASA([1000.00, 3500.00], [ 3.16780652E+00, 4.75221902E-03, -1.83787077E-06, 3.04190252E-10, -1.77232770E-14, 6.71210650E+04, 6.63589475E+00])), transport=gas_transport(geom='linear', diam=4.1, well_depth=209.0, rot_relax=2.5), note=u'L1/91') species(name=u'CH2CO', atoms='H:2 C:2 O:1', thermo=(NASA([200.00, 1000.00], [ 2.13583630E+00, 1.81188721E-02, -1.73947474E-05, 9.34397568E-09, -2.01457615E-12, -7.04291804E+03, 1.22156480E+01]), NASA([1000.00, 3500.00], [ 4.51129732E+00, 9.00359745E-03, -4.16939635E-06, 9.23345882E-10, -7.94838201E-14, -7.55105311E+03, 6.32247205E-01])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0), note=u'L5/90') species(name=u'C2H2', atoms='H:2 C:2', thermo=(NASA([200.00, 1000.00], [ 8.08681094E-01, 2.33615629E-02, -3.55171815E-05, 2.80152437E-08, -8.50072974E-12, 2.64289807E+04, 1.39397051E+01]), NASA([1000.00, 3500.00], [ 4.14756964E+00, 5.96166664E-03, -2.37294852E-06, 4.67412171E-10, -3.61235213E-14, 2.59359992E+04, -1.23028121E+00])), transport=gas_transport(geom='linear', diam=4.1, well_depth=209.0, rot_relax=2.5), note=u'L1/91') species(name=u'S-CH2', atoms='H:2 C:1', thermo=(NASA([200.00, 1000.00], [ 4.19860411E+00, -2.36661419E-03, 8.23296220E-06, -6.68815981E-09, 1.94314737E-12, 5.04968163E+04, -7.69118967E-01]), NASA([1000.00, 3500.00], [ 2.29203842E+00, 4.65588637E-03, -2.01191947E-06, 4.17906000E-10, -3.39716365E-14, 5.09259997E+04, 8.62650169E+00])), transport=gas_transport(geom='linear', diam=3.8, well_depth=144.0), note=u'LS/93') species(name=u'CH3OH', atoms='H:4 C:1 O:1', thermo=(NASA([200.00, 1000.00], [ 5.71539582E+00, -1.52309129E-02, 6.52441155E-05, -7.10806889E-08, 2.61352698E-11, -2.56427656E+04, -1.50409823E+00]), NASA([1000.00, 3500.00], [ 1.78970791E+00, 1.40938292E-02, -6.36500835E-06, 1.38171085E-09, -1.17060220E-13, -2.53748747E+04, 1.45023623E+01])), transport=gas_transport(geom='nonlinear', diam=3.626, well_depth=481.8, rot_relax=1.0), note=u'L8/88') species(name=u'CH2OH', atoms='H:3 C:1 O:1', thermo=(NASA([200.00, 1000.00], [ 3.86388918E+00, 5.59672304E-03, 5.93271791E-06, -1.04532012E-08, 4.36967278E-12, -3.19391367E+03, 5.47302243E+00]), NASA([1000.00, 3500.00], [ 3.69266569E+00, 8.64576797E-03, -3.75101120E-06, 7.87234636E-10, -6.48554201E-14, -3.24250627E+03, 5.81043215E+00])), transport=gas_transport(geom='nonlinear', diam=3.69, well_depth=417.0, dipole=1.7, rot_relax=2.0), note=u'GUNL93') species(name=u'CH3O', atoms='H:3 C:1 O:1', thermo=(NASA([300.00, 1000.00], [ 2.10620400E+00, 7.21659500E-03, 5.33847200E-06, -7.37763600E-09, 2.07561000E-12, 9.78601100E+02, 1.31521770E+01]), NASA([1000.00, 3000.00], [ 3.77079900E+00, 7.87149700E-03, -2.65638400E-06, 3.94443100E-10, -2.11261600E-14, 1.27832520E+02, 2.92957500E+00])), transport=gas_transport(geom='nonlinear', diam=3.69, well_depth=417.0, dipole=1.7, rot_relax=2.0), note=u'121686') species(name=u'CH4', atoms='H:4 C:1', thermo=(NASA([200.00, 1000.00], [ 5.14911468E+00, -1.36622009E-02, 4.91453921E-05, -4.84246767E-08, 1.66603441E-11, -1.02465983E+04, -4.63848842E+00]), NASA([1000.00, 6000.00], [ 1.65326226E+00, 1.00263099E-02, -3.31661238E-06, 5.36483138E-10, -3.14696758E-14, -1.00095936E+04, 9.90506283E+00])), transport=gas_transport(geom='nonlinear', diam=3.746, well_depth=141.4, polar=2.6, rot_relax=13.0), note=u'g8/99') species(name=u'CH3O2', atoms='H:3 C:1 O:2', thermo=(NASA([200.00, 1000.00], [ 4.76597792E+00, -3.51077148E-03, 4.54394152E-05, -5.66763729E-08, 2.21591482E-11, -4.82401289E+02, 4.76095141E+00]), NASA([1000.00, 6000.00], [ 5.92505819E+00, 9.00194542E-03, -3.24254309E-06, 5.24362718E-10, -3.14263003E-14, -1.53258958E+03, -4.93669747E+00])), transport=gas_transport(geom='nonlinear', diam=3.626, well_depth=481.8, rot_relax=1.0), note=u'PEROXYMETHT04/02') species(name=u'C2H3', atoms='H:3 C:2', thermo=(NASA([200.00, 1000.00], [ 3.21246645E+00, 1.51479162E-03, 2.59209412E-05, -3.57657847E-08, 1.47150873E-11, 3.48598468E+04, 8.51054025E+00]), NASA([1000.00, 3500.00], [ 3.01672400E+00, 1.03302292E-02, -4.68082349E-06, 1.01763288E-09, -8.62607041E-14, 3.46128739E+04, 7.78732378E+00])), transport=gas_transport(geom='nonlinear', diam=4.1, well_depth=209.0, rot_relax=1.0), note=u'L2/92') species(name=u'C2H4', atoms='H:4 C:2', thermo=(NASA([200.00, 1000.00], [ 3.95920148E+00, -7.57052247E-03, 5.70990292E-05, -6.91588753E-08, 2.69884373E-11, 5.08977593E+03, 4.09733096E+00]), NASA([1000.00, 3500.00], [ 2.03611116E+00, 1.46454151E-02, -6.71077915E-06, 1.47222923E-09, -1.25706061E-13, 4.93988614E+03, 1.03053693E+01])), transport=gas_transport(geom='nonlinear', diam=3.971, well_depth=280.8, rot_relax=1.5), note=u'L1/91') species(name=u'C2H5', atoms='H:5 C:2', thermo=(NASA([200.00, 1000.00], [ 4.30646568E+00, -4.18658892E-03, 4.97142807E-05, -5.99126606E-08, 2.30509004E-11, 1.28416265E+04, 4.70720924E+00]), NASA([1000.00, 3500.00], [ 1.95465642E+00, 1.73972722E-02, -7.98206668E-06, 1.75217689E-09, -1.49641576E-13, 1.28575200E+04, 1.34624343E+01])), transport=gas_transport(geom='nonlinear', diam=4.302, well_depth=252.3, rot_relax=1.5), note=u'L12/92') species(name=u'HCCOH', atoms='H:2 C:2 O:1', thermo=(NASA([300.00, 1000.00], [ 1.24237330E+00, 3.10722010E-02, -5.08668640E-05, 4.31371310E-08, -1.40145940E-11, 8.03161430E+03, 1.38743190E+01]), NASA([1000.00, 5000.00], [ 5.92382910E+00, 6.79236000E-03, -2.56585640E-06, 4.49878410E-10, -2.99401010E-14, 7.26462600E+03, -7.60177420E+00])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0), note=u'SRI91') species(name=u'CH2CHO', atoms='H:3 C:2 O:1', thermo=(NASA([300.00, 1000.00], [ 1.09685733E+00, 2.20228796E-02, -1.44583444E-05, 3.00779578E-09, 6.08992877E-13, 1.06943322E+03, 1.90094813E+01]), NASA([1000.00, 3000.00], [ 2.42606357E+00, 1.72400021E-02, -9.77132119E-06, 2.66555672E-09, -2.82120078E-13, 8.33106990E+02, 1.26038737E+01])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0), note=u'G3B3') species(name=u'CH3CHO', atoms='H:4 C:2 O:1', thermo=(NASA([300.00, 1000.00], [ 1.40653856E+00, 2.16984438E-02, -1.47573265E-05, 7.30435478E-09, -2.09119467E-12, -2.17973223E+04, 1.77513265E+01]), NASA([1000.00, 3000.00], [ 2.68543112E+00, 1.76802373E-02, -8.65402739E-06, 2.03680589E-09, -1.87630935E-13, -2.21653701E+04, 1.11635653E+01])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0), note=u'G3B3') species(name=u'H2C2', atoms='H:2 C:2', thermo=(NASA([200.00, 1000.00], [ 3.28154830E+00, 6.97647910E-03, -2.38552440E-06, -1.21044320E-09, 9.81895450E-13, 4.86217940E+04, 5.92039100E+00]), NASA([1000.00, 6000.00], [ 4.27803400E+00, 4.75628040E-03, -1.63010090E-06, 2.54628060E-10, -1.48863790E-14, 4.83166880E+04, 6.40237010E-01])), transport=gas_transport(geom='nonlinear', diam=4.1, well_depth=209.0, rot_relax=2.5), note=u'L12/89') species(name=u'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='nonlinear', diam=4.41, well_depth=470.6, rot_relax=1.5)) species(name=u'N-C3H7', atoms='H:7 C:3', thermo=(NASA([298.15, 1000.00], [ 1.04754730E+00, 2.60077940E-02, 2.35622520E-06, -1.95923170E-08, 9.36801160E-12, 1.06326370E+04, 2.11418760E+01]), NASA([1000.00, 5000.00], [ 7.70404050E+00, 1.60415400E-02, -5.28159670E-06, 7.62544030E-10, -3.93534620E-14, 8.29795310E+03, -1.54875140E+01])), transport=gas_transport(geom='nonlinear', diam=4.982, well_depth=266.8, rot_relax=1.0), note=u'N-L9/85') species(name=u'C2H6', atoms='H:6 C:2', thermo=(NASA([200.00, 1000.00], [ 4.29142492E+00, -5.50154270E-03, 5.99438288E-05, -7.08466285E-08, 2.68685771E-11, -1.15222055E+04, 2.66682316E+00]), NASA([1000.00, 3500.00], [ 1.07188150E+00, 2.16852677E-02, -1.00256067E-05, 2.21412001E-09, -1.90002890E-13, -1.14263932E+04, 1.51156107E+01])), transport=gas_transport(geom='nonlinear', diam=4.302, well_depth=252.3, rot_relax=1.5), note=u'L8/88') species(name=u'C3H8', atoms='H:8 C:3', thermo=(NASA([300.00, 1000.00], [ 9.33553810E-01, 2.64245790E-02, 6.10597270E-06, -2.19774990E-08, 9.51492530E-12, -1.39585200E+04, 1.92016910E+01]), NASA([1000.00, 5000.00], [ 7.53413680E+00, 1.88722390E-02, -6.27184910E-06, 9.14756490E-10, -4.78380690E-14, -1.64675160E+04, -1.78923490E+01])), transport=gas_transport(geom='nonlinear', diam=4.982, well_depth=266.8, rot_relax=1.0), note=u'L4/85') species(name=u'C3H6', atoms='H:6 C:3', thermo=(NASA([300.00, 1000.00], [-2.29261670E-03, 3.10261065E-02, -1.67151548E-05, 1.89594170E-09, 1.24957915E-12, 1.13437406E+03, 2.35719601E+01]), NASA([1000.00, 3000.00], [ 4.71697982E-01, 2.89513070E-02, -1.56601819E-05, 4.11443199E-09, -4.23075141E-13, 1.12603387E+03, 2.15237289E+01])), transport=gas_transport(geom='nonlinear', diam=4.982, well_depth=266.8, rot_relax=1.0), note=u'G3B3') species(name=u'C3H3', atoms='H:3 C:3', thermo=(NASA([300.00, 1000.00], [ 1.40299238E+00, 3.01773327E-02, -3.98449373E-05, 2.93534629E-08, -8.70554579E-12, 3.93108220E+04, 1.51527845E+01]), NASA([1000.00, 3000.00], [ 6.14915291E+00, 9.34063166E-03, -3.75055354E-06, 6.90156316E-10, -4.60824994E-14, 3.83854848E+04, -7.45345215E+00])), transport=gas_transport(geom='nonlinear', diam=4.76, well_depth=252.0, rot_relax=1.0), note=u'G3B3') species(name=u'P-C3H4', atoms='H:4 C:3', thermo=(NASA([300.00, 1000.00], [ 1.46175323E+00, 2.46026602E-02, -1.90219395E-05, 8.60363422E-09, -1.66729240E-12, 2.09209793E+04, 1.49262585E+01]), NASA([1000.00, 3000.00], [ 2.81460543E+00, 1.85524496E-02, -9.55026768E-06, 2.39951370E-09, -2.37485257E-13, 2.07010771E+04, 8.60604972E+00])), transport=gas_transport(geom='nonlinear', diam=4.76, well_depth=252.0, rot_relax=1.0), note=u'G3B3') species(name=u'A-C3H4', atoms='H:4 C:3', thermo=(NASA([300.00, 1000.00], [ 3.68928265E-01, 2.89351397E-02, -2.44386408E-05, 1.12547166E-08, -2.03040262E-12, 2.17585256E+04, 1.95267211E+01]), NASA([1000.00, 3000.00], [ 2.56128757E+00, 1.95080128E-02, -1.04061366E-05, 2.70165173E-09, -2.75074329E-13, 2.13894289E+04, 9.20550397E+00])), transport=gas_transport(geom='nonlinear', diam=4.76, well_depth=252.0, rot_relax=1.0), note=u'G3B3') species(name=u'S-C3H5', atoms='H:5 C:3', thermo=(NASA([300.00, 1000.00], [ 3.13106581E-01, 3.18769663E-02, -2.53420013E-05, 1.02999073E-08, -1.35301854E-12, 3.13767683E+04, 2.23728832E+01]), NASA([1000.00, 3000.00], [ 2.02509360E+00, 2.35513249E-02, -1.28254556E-05, 3.39579222E-09, -3.51794724E-13, 3.11812042E+04, 1.46653302E+01])), transport=gas_transport(geom='nonlinear', diam=4.982, well_depth=266.8, rot_relax=1.0), note=u'G3B3') species(name=u'N-C4H3', atoms='H:3 C:4', thermo=(NASA([300.00, 1000.00], [-3.55175031E-02, 4.30508503E-02, -5.75729147E-05, 4.15883142E-08, -1.20750857E-11, 6.43506593E+04, 2.43816855E+01]), NASA([1000.00, 3000.00], [ 7.25330164E+00, 1.19580846E-02, -5.26715675E-06, 1.09981875E-09, -8.84016751E-14, 6.28977574E+04, -1.05283126E+01])), transport=gas_transport(geom='nonlinear', diam=5.18, well_depth=357.0, rot_relax=1.0), note=u'G3B3') species(name=u'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='nonlinear', diam=4.958, well_depth=428.8, dipole=2.9, rot_relax=1.0)) species(name=u'A-C3H5', atoms='H:5 C:3', thermo=(NASA([300.00, 1000.00], [-1.03516444E+00, 3.75043366E-02, -3.26381242E-05, 1.47662613E-08, -2.43741154E-12, 1.88792254E+04, 2.71451071E+01]), NASA([1000.00, 3000.00], [ 2.28794927E+00, 2.36401575E-02, -1.27891450E-05, 3.36838540E-09, -3.47449449E-13, 1.83033514E+04, 1.14063418E+01])), transport=gas_transport(geom='nonlinear', diam=4.982, well_depth=266.8, rot_relax=1.0), note=u'G3B3') species(name=u'C2O', atoms='C:2 O:1', thermo=(NASA([200.00, 1000.00], [ 2.86278214E+00, 1.19701204E-02, -1.80851222E-05, 1.52777730E-08, -5.20063163E-12, 3.37501779E+04, 8.89759099E+00]), NASA([1000.00, 6000.00], [ 5.42468378E+00, 1.85393945E-03, -5.17932956E-07, 6.77646230E-11, -3.53315237E-15, 3.31537194E+04, -3.69608405E+00])), transport=gas_transport(geom='linear', diam=3.828, well_depth=232.4, rot_relax=1.0), note=u'g8/00') species(name=u'C4H4', atoms='H:4 C:4', thermo=(NASA([300.00, 1000.00], [-2.31343354E-01, 4.11814497E-02, -4.47624056E-05, 2.75434157E-08, -7.06376813E-12, 3.40632704E+04, 2.42662442E+01]), NASA([1000.00, 3000.00], [ 4.97237210E+00, 1.93139904E-02, -9.81196508E-06, 2.43005054E-09, -2.37099738E-13, 3.30561454E+04, -6.23055157E-01])), transport=gas_transport(geom='nonlinear', diam=5.18, well_depth=357.0, rot_relax=1.0), note=u'G3B3') species(name=u'C3H2', atoms='H:2 C:3', thermo=(NASA([300.00, 1000.00], [ 4.52861333E+00, 1.77565501E-02, -2.54882946E-05, 2.01674629E-08, -6.28544707E-12, 6.35410087E+04, 8.09423748E-01]), NASA([1000.00, 3000.00], [ 7.67920588E+00, 3.85560826E-03, -8.23429967E-07, -6.18108592E-11, 2.93114202E-14, 6.29136323E+04, -1.42211873E+01])), transport=gas_transport(geom='nonlinear', diam=4.1, well_depth=209.0, rot_relax=1.0), note=u'G3B3') species(name=u'C3H2O', atoms='H:2 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 1.89401982E+00, 2.66301486E-02, -2.97185216E-05, 1.94290386E-08, -5.43402767E-12, 1.37271761E+04, 1.55182339E+01]), NASA([1000.00, 3000.00], [ 5.51551710E+00, 1.20296564E-02, -6.09058988E-06, 1.48866261E-09, -1.42588474E-13, 1.29567538E+04, -2.05439127E+00])), transport=gas_transport(geom='nonlinear', diam=4.76, well_depth=252.0, rot_relax=1.0), note=u'G3B3') species(name=u'C4H2', atoms='H:2 C:4', thermo=(NASA([300.00, 1000.00], [ 1.73325212E-01, 4.53949030E-02, -7.30123830E-05, 5.95251736E-08, -1.87484716E-11, 5.42239385E+04, 1.80184355E+01]), NASA([1000.00, 3000.00], [ 9.75839793E+00, 3.78873223E-03, 3.06142015E-07, -6.33655024E-10, 1.12930032E-13, 5.22698696E+04, -2.79084005E+01])), transport=gas_transport(geom='linear', diam=5.18, well_depth=357.0, rot_relax=1.0), note=u'G3B3') species(name=u'I-C4H3', atoms='H:3 C:4', thermo=(NASA([300.00, 1000.00], [ 3.02566263E+00, 3.04693624E-02, -3.68345185E-05, 2.60035352E-08, -7.62154351E-12, 5.80551505E+04, 9.87268458E+00]), NASA([1000.00, 3000.00], [ 7.29283596E+00, 1.21664949E-02, -5.50925306E-06, 1.19291350E-09, -1.00493092E-13, 5.71961011E+04, -1.05737251E+01])), transport=gas_transport(geom='nonlinear', diam=5.18, well_depth=357.0, rot_relax=1.0), note=u'G3B3') species(name=u'T-C3H5', atoms='H:5 C:3', thermo=(NASA([300.00, 1000.00], [ 8.80980628E-01, 2.96361924E-02, -2.52725602E-05, 1.43651816E-08, -3.89566621E-12, 2.92321259E+04, 2.00163594E+01]), NASA([1000.00, 3000.00], [ 3.15893724E+00, 2.04649335E-02, -1.00947812E-05, 2.41157382E-09, -2.26535162E-13, 2.87351148E+04, 8.93041515E+00])), transport=gas_transport(geom='nonlinear', diam=4.982, well_depth=266.8, rot_relax=1.0), note=u'G3B3') species(name=u'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='nonlinear', diam=4.82, well_depth=411.0, rot_relax=1.0)) species(name=u'C4H', atoms='H:1 C:4', thermo=(NASA([300.00, 1000.00], [ 3.23559253E+00, 2.27091533E-02, -3.18443291E-05, 2.44864804E-08, -7.57986440E-12, 9.39080960E+04, 7.90671244E+00]), NASA([1000.00, 3000.00], [ 7.44964925E+00, 5.23173174E-03, -1.96340383E-06, 3.00667811E-10, -1.16121546E-14, 9.30052443E+04, -1.24961267E+01])), transport=gas_transport(geom='nonlinear', diam=5.18, well_depth=357.0, rot_relax=1.0), note=u'G3B3') species(name=u'C8H2', atoms='H:2 C:8', thermo=(NASA([200.00, 1000.00], [-3.26701608E-01, 9.43328676E-02, -1.72876384E-04, 1.56816538E-07, -5.40488426E-11, 1.05392079E+05, 2.20322120E+01]), NASA([1000.00, 6000.00], [ 1.63586996E+01, 1.08592595E-02, -3.91654796E-06, 6.34107033E-10, -3.80413156E-14, 1.02366984E+05, -5.56746562E+01])), transport=gas_transport(geom='linear', diam=5.68, well_depth=495.3, dipole=0.43, polar=12.3, rot_relax=1.0), note=u'T11/07') species(name=u'C6H2', atoms='H:2 C:6', thermo=(NASA([200.00, 1000.00], [-5.41092160E-01, 7.45326280E-02, -1.35782520E-04, 1.22266300E-07, -4.18252070E-11, 8.21151320E+04, 2.18827100E+01]), NASA([1000.00, 6000.00], [ 1.25328010E+01, 8.77663210E-03, -3.13296160E-06, 5.03718200E-10, -3.00719210E-14, 7.97843380E+04, -3.88585800E+01])), transport=gas_transport(geom='linear', diam=5.18, well_depth=357.0, rot_relax=1.0), note=u'T3/92') species(name=u'C4H6', atoms='H:6 C:4', thermo=(NASA([300.00, 1000.00], [ 4.01336263E+00, 4.44626850E-03, 7.80683019E-05, -1.11674129E-07, 4.60753846E-11, 1.14807231E+04, 6.77079654E+00]), NASA([1000.00, 3000.00], [-8.99531092E+00, 6.01715069E-02, -4.20057758E-05, 1.33330056E-08, -1.57423690E-12, 1.49296107E+04, 7.11866909E+01])), transport=gas_transport(geom='nonlinear', diam=5.18, well_depth=357.0, rot_relax=1.0), note=u'G3B3') species(name=u'N-C4H5', atoms='H:5 C:4', thermo=(NASA([300.00, 1000.00], [-1.16849950E+00, 4.79006074E-02, -5.12377002E-05, 3.06244264E-08, -7.59906965E-12, 4.22787216E+04, 3.11630273E+01]), NASA([1000.00, 3000.00], [ 4.87674639E+00, 2.27534299E-02, -1.17714698E-05, 2.95251455E-09, -2.91456566E-13, 4.11081097E+04, 2.21507772E+00])), transport=gas_transport(geom='nonlinear', diam=5.18, well_depth=357.0, rot_relax=1.0), note=u'G3B3') species(name=u'I-C4H5', atoms='H:5 C:4', thermo=(NASA([300.00, 1000.00], [-3.31905498E-01, 4.40163876E-02, -4.27690246E-05, 2.31284316E-08, -5.17171519E-12, 3.67510686E+04, 2.56362838E+01]), NASA([1000.00, 3000.00], [ 4.34643669E+00, 2.45761440E-02, -1.30953685E-05, 3.38848125E-09, -3.43519633E-13, 3.58709780E+04, 3.29579091E+00])), transport=gas_transport(geom='nonlinear', diam=5.18, well_depth=357.0, rot_relax=1.0), note=u'G3B3') species(name=u'A1', atoms='H:6 C:6', thermo=(NASA([300.00, 1000.00], [-5.51558393E+00, 6.45453225E-02, -4.41402928E-05, 7.47712161E-09, 3.10282254E-12, 9.11031457E+03, 4.65332293E+01]), NASA([1000.00, 3000.00], [-2.06240612E-01, 4.64122440E-02, -2.77653536E-05, 7.88910537E-09, -8.60365259E-13, 8.09883905E+03, 2.06566629E+01])), transport=gas_transport(geom='nonlinear', diam=5.29, well_depth=464.8, polar=10.32, rot_relax=1.0), note=u'G3B3') species(name=u'C5H11', 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='nonlinear', diam=5.041, well_depth=440.735)) species(name=u'P-C4H9', 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='nonlinear', diam=5.24, well_depth=352.0, rot_relax=1.0)) species(name=u'C7H15', 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='nonlinear', diam=6.253, well_depth=459.6, rot_relax=1.0)) species(name=u'P-C4H8', 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='nonlinear', diam=5.088, well_depth=345.7, dipole=0.3, rot_relax=1.0)) species(name=u'C5H10', 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='nonlinear', diam=5.489, well_depth=386.2, dipole=0.4, rot_relax=1.0)) species(name=u'C7H14', atoms='H:14 C:7', thermo=(NASA([300.00, 1000.00], [-2.03026994E+00, 8.26324377E-02, -5.45514471E-05, 1.87705822E-08, -2.67571220E-12, -1.15141029E+04, 4.02316266E+01]), NASA([1000.00, 5000.00], [ 5.45858240E+00, 5.86157625E-02, -2.63089416E-05, 4.38018732E-09, 0.00000000E+00, -1.33463299E+04, 2.52375995E+00])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0)) species(name=u'C7H15O', atoms='H:15 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-4.59189934E-01, 8.74464647E-02, -5.69015135E-05, 1.92195908E-08, -2.68753465E-12, -1.78233113E+04, 3.56475170E+01]), NASA([1000.00, 5000.00], [ 7.08994686E+00, 6.32468545E-02, -2.84621689E-05, 4.74318493E-09, 0.00000000E+00, -1.96708300E+04, -2.36654973E+00])), transport=gas_transport(geom='nonlinear', diam=6.317, well_depth=561.0, dipole=1.7, rot_relax=1.0)) species(name=u'C3H7CHO', atoms='H:8 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 1.87415959E+00, 4.19240315E-02, -2.35148779E-05, 6.26913673E-09, -6.09443908E-13, -2.71032194E+04, 1.91568574E+01]), NASA([1000.00, 5000.00], [ 3.99143562E+00, 3.53602593E-02, -1.61297177E-05, 2.72102879E-09, 0.00000000E+00, -2.76351912E+04, 8.43276649E+00])), transport=gas_transport(geom='nonlinear', diam=5.009, well_depth=464.2, dipole=2.6, rot_relax=1.0)) species(name=u'C4H7', atoms='H:7 C:4', thermo=(NASA([200.00, 1000.00], [ 5.07355313E+00, 5.27619329E-03, 6.23441322E-05, -8.54203458E-08, 3.45890031E-11, 2.24615054E+04, 5.60318035E+00]), NASA([1000.00, 6000.00], [ 8.49073768E+00, 1.91056974E-02, -6.74370664E-06, 1.07343267E-09, -6.36251837E-14, 2.04659294E+04, -1.74555814E+01])), transport=gas_transport(geom='nonlinear', diam=4.65, well_depth=355.0, rot_relax=1.0), note=u'3butene-1ylT05/04') species(name=u'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='nonlinear', diam=5.458, well_depth=396.8, rot_relax=1.0)) species(name=u'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='nonlinear', diam=5.2, well_depth=496.0, rot_relax=1.0)) species(name=u'N-C3H7O', atoms='H:7 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 2.89706514E-01, 3.93075560E-02, -2.48069355E-05, 8.07083573E-09, -1.07998290E-12, -6.24474269E+03, 2.54387810E+01]), NASA([1000.00, 5000.00], [ 3.42509077E+00, 2.93139212E-02, -1.31458358E-05, 2.18800366E-09, 0.00000000E+00, -7.01563135E+03, 9.63434706E+00])), transport=gas_transport(geom='nonlinear', diam=4.997, well_depth=481.5)) species(name=u'I-C4H8', 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='nonlinear', diam=5.089, well_depth=344.5)) species(name=u'I-C3H7', atoms='H:7 C:3', thermo=(NASA([300.00, 1000.00], [ 1.71330000E+00, 2.54261600E-02, 1.58080800E-06, -1.82128600E-08, 8.82771000E-12, 7.53580900E+03, 1.29790100E+01]), NASA([1000.00, 5000.00], [ 8.06336900E+00, 1.57448800E-02, -5.18239200E-06, 7.47724500E-10, -3.85442200E-14, 5.31387100E+03, -2.19264700E+01])), transport=gas_transport(geom='nonlinear', diam=4.81, well_depth=303.4)) species(name=u'T-C4H9', 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='nonlinear', diam=5.24, well_depth=352.0)) species(name=u'CH3COCH3', atoms='H:6 C:3 O:1', thermo=(NASA([200.00, 1000.00], [ 5.55638920E+00, -2.83863547E-03, 7.05722951E-05, -8.78130984E-08, 3.40290951E-11, -2.78325393E+04, 2.31960221E+00]), NASA([1000.00, 6000.00], [ 7.29796974E+00, 1.75656913E-02, -6.31678065E-06, 1.02025553E-09, -6.10903592E-14, -2.95368927E+04, -1.27591704E+01])), transport=gas_transport(geom='nonlinear', diam=4.86, well_depth=435.5), note=u'acetoneATcTA') species(name=u'I-C4H7', 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='nonlinear', diam=4.65, well_depth=355.0)) species(name=u'I-C3H5CHO', 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='nonlinear', diam=5.352, well_depth=436.4)) species(name=u'T-C4H9O', 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='nonlinear', diam=5.2, well_depth=496.0)) species(name=u'I-C4H7O', 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='nonlinear', diam=5.2, well_depth=496.0)) species(name=u'C5H4CH2', atoms='H:6 C:6', thermo=(NASA([300.00, 1000.00], [-5.34007612E+00, 7.17283827E-02, -6.45824457E-05, 2.78691157E-08, -3.95001455E-12, 2.58936616E+04, 4.70844323E+01]), NASA([1000.00, 3000.00], [ 2.78194214E+00, 4.06322016E-02, -2.35029327E-05, 6.51056017E-09, -6.96809087E-13, 2.43155607E+04, 7.84215958E+00])), transport=gas_transport(geom='nonlinear', diam=5.29, well_depth=464.8, polar=10.32, rot_relax=1.0), note=u'FULVENEG3B3') species(name=u'A1-', atoms='H:5 C:6', thermo=(NASA([300.00, 1000.00], [-4.87654845E+00, 6.26805782E-02, -4.87402286E-05, 1.41122287E-08, 5.18518312E-13, 3.99269438E+04, 4.59964173E+01]), NASA([1000.00, 3000.00], [ 1.38016336E+00, 4.04032009E-02, -2.42250885E-05, 6.88723321E-09, -7.50960802E-13, 3.86973520E+04, 1.55220921E+01])), transport=gas_transport(geom='nonlinear', diam=5.29, well_depth=464.8, polar=10.32, rot_relax=1.0), note=u'G3B3') species(name=u'A1C2H2', atoms='H:7 C:8', thermo=(NASA([300.00, 1000.00], [-6.30997035E+00, 9.50907829E-02, -9.55699336E-05, 4.96808010E-08, -1.01792181E-11, 4.57329298E+04, 5.35393104E+01]), NASA([1000.00, 3000.00], [ 5.98044803E+00, 4.69431747E-02, -2.67378474E-05, 7.29777950E-09, -7.71093028E-13, 4.32864172E+04, -5.85268440E+00])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'A1C2H3', atoms='H:8 C:8', thermo=(NASA([300.00, 1000.00], [-5.38499941E+00, 8.20365155E-02, -5.34461878E-05, 5.59095007E-09, 5.61139050E-12, 1.60857559E+04, 5.01104513E+01]), NASA([1000.00, 3000.00], [ 5.40554217E-01, 6.17302362E-02, -3.73947305E-05, 1.07046587E-08, -1.17304984E-12, 1.50413170E+04, 2.14502681E+01])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'A1C2H', atoms='H:6 C:8', thermo=(NASA([300.00, 1000.00], [-5.21036925E+00, 8.65551944E-02, -8.45007483E-05, 4.21920706E-08, -8.16766167E-12, 3.52488620E+04, 4.69445057E+01]), NASA([1000.00, 3000.00], [ 5.81520488E+00, 4.40872933E-02, -2.52053858E-05, 6.90275228E-09, -7.31378908E-13, 3.30271906E+04, -6.49320690E+00])), transport=gas_transport(geom='nonlinear', diam=5.72, well_depth=535.6, dipole=0.77, polar=12.0, rot_relax=1.0), note=u'G3B3') species(name=u'A1C2H*', atoms='H:5 C:8', thermo=(NASA([300.00, 1000.00], [-4.42757639E+00, 8.36668645E-02, -8.70106362E-05, 4.70285661E-08, -1.01816985E-11, 6.73302359E+04, 4.48118287E+01]), NASA([1000.00, 3000.00], [ 7.23812069E+00, 3.83812109E-02, -2.18850731E-05, 5.97161247E-09, -6.30351467E-13, 6.49528135E+04, -1.17512654E+01])), transport=gas_transport(geom='nonlinear', diam=5.72, well_depth=535.6, dipole=0.77, polar=12.0, rot_relax=1.0), note=u'G3B3') species(name=u'A1C2H3*', atoms='H:7 C:8', thermo=(NASA([300.00, 1000.00], [-5.36214520E+00, 8.67033297E-02, -7.54297960E-05, 3.01139854E-08, -3.40681418E-12, 4.77818209E+04, 5.07407949E+01]), NASA([1000.00, 3000.00], [ 3.90114779E+00, 5.15894020E-02, -3.05080522E-05, 8.55910896E-09, -9.23046757E-13, 4.59935428E+04, 5.96930655E+00])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2-', atoms='H:7 C:10', thermo=(NASA([300.00, 1000.00], [-8.02718034E+00, 1.02924518E-01, -8.34272010E-05, 2.72135383E-08, -7.24559554E-13, 5.01363344E+04, 6.08902264E+01]), NASA([1000.00, 3000.00], [ 3.22892303E+00, 6.31264486E-02, -3.80582381E-05, 1.08454069E-08, -1.18342512E-12, 4.78400840E+04, 5.82016697E+00])), transport=gas_transport(geom='nonlinear', diam=6.18, well_depth=630.4, polar=16.5, rot_relax=1.0), note=u'G3B3') species(name=u'A2', atoms='H:8 C:10', thermo=(NASA([300.00, 1000.00], [-8.72434585E+00, 1.05376008E-01, -8.01710690E-05, 2.18545974E-08, 1.42066606E-12, 1.66588912E+04, 6.19828860E+01]), NASA([1000.00, 3000.00], [ 1.76826275E+00, 6.89143506E-02, -4.14322176E-05, 1.17914309E-08, -1.28597061E-12, 1.45412795E+04, 1.06257927E+01])), transport=gas_transport(geom='nonlinear', diam=6.18, well_depth=630.4, polar=16.5, rot_relax=1.0), note=u'G3B3') species(name=u'A2*', atoms='H:7 C:10', thermo=(NASA([300.00, 1000.00], [-8.00768796E+00, 1.03041289E-01, -8.38190998E-05, 2.76491726E-08, -8.88842208E-13, 4.99740633E+04, 6.07298980E+01]), NASA([1000.00, 3000.00], [ 3.29950506E+00, 6.30133365E-02, -3.79760083E-05, 1.08180756E-08, -1.18007697E-12, 4.76658373E+04, 5.41215697E+00])), transport=gas_transport(geom='nonlinear', diam=6.18, well_depth=630.4, polar=16.5, rot_relax=1.0), note=u'G3B3') species(name=u'A2C2H2A', atoms='H:9 C:12', thermo=(NASA([300.00, 1000.00], [-9.26784872E+00, 1.35043130E-01, -1.29791842E-04, 6.27220331E-08, -1.16348577E-11, 5.64832554E+04, 6.71406964E+01]), NASA([1000.00, 3000.00], [ 8.53385239E+00, 6.87542797E-02, -4.01750101E-05, 1.11481146E-08, -1.19062243E-12, 5.27583345E+04, -1.97684170E+01])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2C2H2B', atoms='H:9 C:12', thermo=(NASA([300.00, 1000.00], [-9.38518818E+00, 1.34825796E-01, -1.28962273E-04, 6.14480428E-08, -1.09467156E-11, 5.63724233E+04, 6.79544608E+01]), NASA([1000.00, 3000.00], [ 7.59341132E+00, 7.02776920E-02, -4.10737558E-05, 1.14009233E-08, -1.21860863E-12, 5.29378620E+04, -1.44753573E+01])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2C2HA', atoms='H:8 C:12', thermo=(NASA([300.00, 1000.00], [-8.23047877E+00, 1.26053176E-01, -1.17499124E-04, 5.36790980E-08, -8.85462308E-12, 4.23747629E+04, 6.10991972E+01]), NASA([1000.00, 3000.00], [ 7.55690939E+00, 6.71073273E-02, -3.92895768E-05, 1.09479979E-08, -1.17460930E-12, 3.91372224E+04, -1.57914447E+01])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2C2HB', atoms='H:8 C:12', thermo=(NASA([300.00, 1000.00], [-8.22579974E+00, 1.26247551E-01, -1.18140742E-04, 5.43987363E-08, -9.12584671E-12, 4.25495114E+04, 6.11604165E+01]), NASA([1000.00, 3000.00], [ 7.63899557E+00, 6.69335855E-02, -3.91500110E-05, 1.08999883E-08, -1.16865999E-12, 3.92947046E+04, -1.61008215E+01])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2C2HA*', atoms='H:7 C:12', thermo=(NASA([300.00, 1000.00], [-7.36585075E+00, 1.22557991E-01, -1.18737276E-04, 5.73940282E-08, -1.05058631E-11, 7.69836555E+04, 5.79534391E+01]), NASA([1000.00, 3000.00], [ 8.88459555E+00, 6.15767170E-02, -3.60988783E-05, 1.00592710E-08, -1.07867529E-12, 7.36259656E+04, -2.12171362E+01])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2C2HB*', atoms='H:7 C:12', thermo=(NASA([300.00, 1000.00], [-7.35510706E+00, 1.22525336E-01, -1.18741281E-04, 5.74311178E-08, -1.05232765E-11, 7.73354743E+04, 5.80872988E+01]), NASA([1000.00, 3000.00], [ 8.88789581E+00, 6.15504161E-02, -3.60748511E-05, 1.00510071E-08, -1.07767823E-12, 7.39803629E+04, -2.10417142E+01])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2R5', atoms='H:8 C:12', thermo=(NASA([300.00, 1000.00], [-1.05497902E+01, 1.25536790E-01, -1.03646045E-04, 3.52989130E-08, -1.64508384E-12, 2.94426605E+04, 7.02667419E+01]), NASA([1000.00, 3000.00], [ 3.65432884E+00, 7.52647236E-02, -4.54864951E-05, 1.29795341E-08, -1.41730827E-12, 2.65223472E+04, 7.23303392E-01])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2R5-', atoms='H:7 C:12', thermo=(NASA([300.00, 1000.00], [-9.79699017E+00, 1.22277213E-01, -1.04932509E-04, 3.87946409E-08, -3.16289661E-12, 6.24840181E+04, 6.82743775E+01]), NASA([1000.00, 3000.00], [ 4.90108932E+00, 6.98931618E-02, -4.24225860E-05, 1.21346296E-08, -1.32683710E-12, 5.94391140E+04, -3.69961369E+00])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2R5C2H2', atoms='H:9 C:14', thermo=(NASA([300.00, 1000.00], [-9.79888742E+00, 1.45400515E-01, -1.28359949E-04, 5.15868534E-08, -6.01742362E-12, 6.87094743E+04, 6.93517594E+01]), NASA([1000.00, 3000.00], [ 7.80126948E+00, 8.14615345E-02, -4.87650376E-05, 1.38133442E-08, -1.50000241E-12, 6.50870635E+04, -1.66224782E+01])), transport=gas_transport(geom='nonlinear', diam=6.96, well_depth=772.0, polar=38.8, rot_relax=1.0), note=u'G3B3') species(name=u'A2R5C2H', atoms='H:8 C:14', thermo=(NASA([300.00, 1000.00], [-9.95199604E+00, 1.45413562E-01, -1.39200806E-04, 6.55032994E-08, -1.13836596E-11, 5.53993662E+04, 6.83019526E+01]), NASA([1000.00, 3000.00], [ 9.29417050E+00, 7.37696223E-02, -4.35832594E-05, 1.22153595E-08, -1.31549318E-12, 5.14110057E+04, -2.55650843E+01])), transport=gas_transport(geom='nonlinear', diam=6.94, well_depth=772.8, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2R5C2H*', atoms='H:7 C:14', thermo=(NASA([300.00, 1000.00], [-9.09090029E+00, 1.41918164E-01, -1.40371367E-04, 6.90982381E-08, -1.29788015E-11, 8.92211518E+04, 6.52159423E+01]), NASA([1000.00, 3000.00], [ 1.06117453E+01, 6.82675505E-02, -4.04202391E-05, 1.13372400E-08, -1.22096366E-12, 8.51154522E+04, -3.08958560E+01])), transport=gas_transport(geom='nonlinear', diam=6.94, well_depth=772.8, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'P2', atoms='H:10 C:12', thermo=(NASA([300.00, 1000.00], [-1.19438051E+01, 1.42163159E-01, -1.33497449E-04, 6.20505718E-08, -1.05766664E-11, 2.01936932E+04, 7.81851355E+01]), NASA([1000.00, 3000.00], [ 5.73686527E+00, 7.54659445E-02, -4.38684869E-05, 1.21616109E-08, -1.30012291E-12, 1.66022411E+04, -7.75535705E+00])), transport=gas_transport(geom='nonlinear', diam=6.31, well_depth=676.5, polar=20.0, rot_relax=1.0), note=u'G3B3') species(name=u'P2-', atoms='H:9 C:12', thermo=(NASA([300.00, 1000.00], [-9.50091731E+00, 1.25210503E-01, -9.83718223E-05, 2.75934175E-08, 1.67954345E-12, 5.29903482E+04, 6.91608446E+01]), NASA([1000.00, 3000.00], [ 3.97670430E+00, 7.79432070E-02, -4.74482168E-05, 1.36376082E-08, -1.49857832E-12, 5.02964162E+04, 3.31269296E+00])), transport=gas_transport(geom='nonlinear', diam=6.31, well_depth=676.5, polar=20.0, rot_relax=1.0), note=u'G3B3') species(name=u'A3-', atoms='H:9 C:14', thermo=(NASA([300.00, 1000.00], [-1.08881743E+01, 1.41187077E-01, -1.13531428E-04, 3.59175357E-08, -4.50212032E-13, 5.70158539E+04, 7.38129777E+01]), NASA([1000.00, 3000.00], [ 4.71264594E+00, 8.67230002E-02, -5.26011632E-05, 1.50459549E-08, -1.64563976E-12, 5.37939644E+04, -2.69867594E+00])), transport=gas_transport(geom='nonlinear', diam=6.96, well_depth=772.0, polar=38.8, rot_relax=1.0), note=u'G3B3') species(name=u'A3', atoms='H:10 C:14', thermo=(NASA([300.00, 1000.00], [-1.15461369E+01, 1.43758163E-01, -1.10869124E-04, 3.12180141E-08, 1.45975232E-12, 2.21687904E+04, 7.54982708E+01]), NASA([1000.00, 3000.00], [ 3.38725839E+00, 9.21885604E-02, -5.57286994E-05, 1.59123919E-08, -1.73884258E-12, 1.91061794E+04, 2.24294382E+00])), transport=gas_transport(geom='nonlinear', diam=6.96, well_depth=772.0, polar=38.8, rot_relax=1.0), note=u'G3B3') species(name=u'A3*', atoms='H:9 C:14', thermo=(NASA([300.00, 1000.00], [-1.08881743E+01, 1.41187077E-01, -1.13531428E-04, 3.59175357E-08, -4.50212032E-13, 5.70158539E+04, 7.38129777E+01]), NASA([1000.00, 3000.00], [ 4.71264594E+00, 8.67230002E-02, -5.26011632E-05, 1.50459549E-08, -1.64563976E-12, 5.37939644E+04, -2.69867594E+00])), transport=gas_transport(geom='nonlinear', diam=6.96, well_depth=772.0, polar=38.8, rot_relax=1.0), note=u'G3B3') species(name=u'A3R5-', atoms='H:9 C:16', thermo=(NASA([300.00, 1000.00], [-1.25419370E+01, 1.60371016E-01, -1.35029003E-04, 4.76044093E-08, -2.93662303E-12, 6.87107686E+04, 8.06070415E+01]), NASA([1000.00, 3000.00], [ 6.47777347E+00, 9.33337716E-02, -5.68626896E-05, 1.63046727E-08, -1.78566643E-12, 6.47489852E+04, -1.26768700E+01])), transport=gas_transport(geom='nonlinear', diam=7.28, well_depth=837.5), note=u'G3B3') species(name=u'A3R5', atoms='H:10 C:16', thermo=(NASA([300.00, 1000.00], [-1.32241574E+01, 1.62862647E-01, -1.31967056E-04, 4.24393865E-08, -8.53171724E-13, 3.44430693E+04, 8.30298639E+01]), NASA([1000.00, 3000.00], [ 5.07024731E+00, 9.89917305E-02, -6.01400259E-05, 1.72204585E-08, -1.88476151E-12, 3.06528296E+04, -6.72179815E+00])), transport=gas_transport(geom='nonlinear', diam=7.28, well_depth=837.5), note=u'G3B3') species(name=u'A4', atoms='H:10 C:16', thermo=(NASA([300.00, 1000.00], [-1.31524443E+01, 1.60878843E-01, -1.27719717E-04, 3.90918898E-08, 7.43991125E-14, 2.49673872E+04, 8.07618418E+01]), NASA([1000.00, 3000.00], [ 4.54060055E+00, 9.98115207E-02, -6.06376301E-05, 1.73575019E-08, -1.89902318E-12, 2.12755890E+04, -6.19295231E+00])), transport=gas_transport(geom='nonlinear', diam=7.24, well_depth=834.9, polar=45.0, rot_relax=1.0), note=u'G3B3') species(name=u'A4-', atoms='H:9 C:16', thermo=(NASA([300.00, 1000.00], [-1.23671835E+01, 1.57657515E-01, -1.29243633E-04, 4.28629673E-08, -1.54491879E-12, 6.27797890E+04, 7.93139090E+01]), NASA([1000.00, 3000.00], [ 5.85098138E+00, 9.43231105E-02, -5.74898152E-05, 1.64858853E-08, -1.80541509E-12, 5.89572568E+04, -1.02177357E+01])), transport=gas_transport(geom='nonlinear', diam=7.24, well_depth=834.9, polar=45.0, rot_relax=1.0), note=u'G3B3') species(name=u'A4R5', atoms='H:10 C:18', thermo=(NASA([300.00, 1000.00], [-1.47695663E+01, 1.79658022E-01, -1.48189900E-04, 4.97722102E-08, -2.06437335E-12, 3.78467972E+04, 8.88184030E+01]), NASA([1000.00, 3000.00], [ 6.20190827E+00, 1.06656275E-01, -6.50829301E-05, 1.86776130E-08, -2.04647350E-12, 3.34439422E+04, -1.42387586E+01])), transport=gas_transport(geom='nonlinear', diam=7.24, well_depth=834.9, polar=45.0, rot_relax=1.0), note=u'G3B3') species(name=u'FLTN', atoms='H:10 C:16', thermo=(NASA([300.00, 1000.00], [-1.29396091E+01, 1.60319722E-01, -1.26452254E-04, 3.76049108E-08, 6.84839205E-13, 2.91084888E+04, 8.12529218E+01]), NASA([1000.00, 3000.00], [ 4.54792547E+00, 9.99989740E-02, -6.08701972E-05, 1.74529022E-08, -1.91199578E-12, 2.54780117E+04, -4.65042293E+00])), transport=gas_transport(geom='nonlinear', diam=7.24, well_depth=834.9, polar=45.0, rot_relax=1.0), note=u'G3B3') species(name=u'C5H6', atoms='H:6 C:5', thermo=(NASA([300.00, 1000.00], [-5.13691194E+00, 6.06953453E-02, -4.60552837E-05, 1.28457201E-08, 7.41214852E-13, 1.53675713E+04, 4.61567559E+01]), NASA([1000.00, 3000.00], [ 2.30537462E-01, 4.09571826E-02, -2.41588958E-05, 6.79763480E-09, -7.36374421E-13, 1.43779465E+04, 2.02551234E+01])), transport=gas_transport(geom='nonlinear', diam=5.2, well_depth=400.0), note=u'G3B3') species(name=u'C5H5', atoms='H:5 C:5', thermo=(NASA([300.00, 1000.00], [-7.37844042E+00, 9.72391818E-02, -1.69579138E-04, 1.51818667E-07, -5.12075479E-11, 3.05514662E+04, 5.12829539E+01]), NASA([1000.00, 3000.00], [ 4.21464919E+00, 2.71834728E-02, -1.33173209E-05, 3.08980119E-09, -2.77879873E-13, 2.88952416E+04, -3.05999781E-02])), transport=gas_transport(geom='nonlinear', diam=5.2, well_depth=400.0, rot_relax=1.0), note=u'Refitted') species(name=u'T-C5H5O', atoms='H:5 C:5 O:1', thermo=(NASA([200.00, 1000.00], [ 2.30436010E-01, 3.23225720E-02, 2.89009080E-05, -7.06806130E-08, 3.34071740E-11, 5.55547240E+03, 2.53309460E+01]), NASA([1000.00, 6000.00], [ 1.26065350E+01, 1.67470670E-02, -6.10975870E-06, 9.96745760E-10, -6.01118340E-14, 1.41146570E+03, -4.26049110E+01])), transport=gas_transport(geom='nonlinear', diam=5.1, well_depth=484.0), note=u'T4/91') species(name=u'C5H4O', atoms='H:4 C:5 O:1', thermo=(NASA([300.00, 1000.00], [-3.64380971E+00, 6.14329196E-02, -5.92149236E-05, 2.83233356E-08, -5.02726134E-12, 5.46809680E+03, 3.98672083E+01]), NASA([1000.00, 3000.00], [ 4.25344911E+00, 3.13639818E-02, -1.82864085E-05, 5.08408365E-09, -5.44845492E-13, 3.87579835E+03, 1.54537057E+00])), transport=gas_transport(geom='nonlinear', diam=5.1, well_depth=484.0), note=u'G3B3') species(name=u'S-C5H5O', atoms='H:5 C:5 O:1', thermo=(NASA([300.00, 1000.00], [-3.07776000E+00, 5.25816790E-02, -2.88565130E-05, -3.38854790E-09, 6.33613990E-12, 2.55104550E+04, 3.95915220E+01]), NASA([1000.00, 3000.00], [ 8.54053120E+00, 2.29895100E-02, -9.54375630E-06, 1.70616120E-09, -9.74593600E-14, 2.22636990E+04, -2.08188250E+01])), transport=gas_transport(geom='nonlinear', diam=5.82, well_depth=617.0, rot_relax=1.0), note=u'D9/97') species(name=u'C9H8', atoms='H:8 C:9', thermo=(NASA([300.00, 1000.00], [-8.12447817E+00, 9.77657067E-02, -7.30435974E-05, 1.88295010E-08, 1.84033213E-12, 1.86589996E+04, 6.06774763E+01]), NASA([1000.00, 3000.00], [ 1.15459802E+00, 6.54224196E-02, -3.92505107E-05, 1.11568841E-08, -1.21592675E-12, 1.68166108E+04, 1.53482362E+01])), transport=gas_transport(geom='nonlinear', diam=6.18, well_depth=630.4, polar=16.5, rot_relax=1.0), note=u'IndeneG3B3') species(name=u'C9H7', atoms='H:7 C:9', thermo=(NASA([300.00, 1000.00], [-8.73685384E+00, 1.03421636E-01, -9.23423393E-05, 3.75622958E-08, -4.40605270E-12, 3.31641009E+04, 6.28218291E+01]), NASA([1000.00, 3000.00], [ 3.65597547E+00, 5.74808463E-02, -3.42870600E-05, 9.70278793E-09, -1.05386412E-12, 3.06843457E+04, 2.57680216E+00])), transport=gas_transport(geom='nonlinear', diam=6.18, well_depth=630.4, polar=16.5, rot_relax=1.0), note=u'IndenylG3B3') species(name=u'A1CH2', atoms='H:7 C:7', thermo=(NASA([300.00, 1000.00], [-6.07053038E+00, 8.35201507E-02, -7.41700083E-05, 3.13153847E-08, -4.23670868E-12, 2.35894712E+04, 5.07932172E+01]), NASA([1000.00, 3000.00], [ 3.30049696E+00, 4.80055340E-02, -2.78443022E-05, 7.72371356E-09, -8.27154136E-13, 2.17498572E+04, 5.42371919E+00])), transport=gas_transport(geom='nonlinear', diam=5.68, well_depth=495.3, dipole=0.43, polar=12.3, rot_relax=1.0), note=u'G3B3') species(name=u'C9H6O', atoms='H:6 C:9 O:1', thermo=(NASA([300.00, 1000.00], [-6.53928778E+00, 9.69323286E-02, -8.17698656E-05, 2.96699474E-08, -2.24993392E-12, 6.88883578E+03, 5.40945996E+01]), NASA([1000.00, 3000.00], [ 4.65659248E+00, 5.70055822E-02, -3.43174199E-05, 9.76177442E-09, -1.06334037E-12, 4.57857140E+03, -7.03868477E-01])), transport=gas_transport(geom='nonlinear', diam=6.18, well_depth=630.4, polar=16.5, rot_relax=1.0), note=u'IndenoneG3B3') species(name=u'O-C6H4', atoms='H:4 C:6', thermo=(NASA([300.00, 1000.00], [-3.46229657E+00, 5.74016575E-02, -4.92984369E-05, 1.90680483E-08, -1.95430709E-12, 5.25223614E+04, 3.88488771E+01]), NASA([1000.00, 3000.00], [ 2.98618725E+00, 3.37637843E-02, -2.00238391E-05, 5.63853682E-09, -6.10004145E-13, 5.12231321E+04, 7.44533121E+00])), transport=gas_transport(geom='nonlinear', diam=5.29, well_depth=464.8, polar=10.32, rot_relax=1.0), note=u'G3B3') species(name=u'A1CH3', atoms='H:8 C:7', thermo=(NASA([300.00, 1000.00], [-4.54072038E+00, 6.85427145E-02, -3.57113024E-05, -4.19397642E-09, 7.41779795E-12, 4.64121087E+03, 4.57564849E+01]), NASA([1000.00, 3000.00], [-1.01117220E+00, 5.85301912E-02, -3.47595069E-05, 9.82180993E-09, -1.06680870E-12, 3.99363395E+03, 2.83610783E+01])), transport=gas_transport(geom='nonlinear', diam=5.68, well_depth=495.3, dipole=0.43, polar=12.3, rot_relax=1.0), note=u'G3B3') species(name=u'A1OH', atoms='H:6 C:6 O:1', thermo=(NASA([300.00, 1000.00], [-3.56571190E+00, 6.60135435E-02, -3.92957818E-05, -3.62253930E-09, 8.62415610E-12, -1.31101467E+04, 4.01377192E+01]), NASA([1000.00, 3000.00], [ 9.33151850E-01, 5.06597504E-02, -3.17618838E-05, 9.37558892E-09, -1.05294081E-12, -1.37575260E+04, 1.87340783E+01])), transport=gas_transport(geom='nonlinear', diam=5.92, well_depth=410.0), note=u'G3B3') species(name=u'HOA1CH3', atoms='H:8 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-2.49882920E+00, 6.91527256E-02, -2.88085659E-05, -1.72912650E-08, 1.36326668E-11, -1.76336196E+04, 3.87490183E+01]), NASA([1000.00, 3000.00], [-6.71722270E-02, 6.31866960E-02, -3.90767950E-05, 1.14166541E-08, -1.27265055E-12, -1.78554350E+04, 2.72088941E+01])), transport=gas_transport(geom='nonlinear', diam=5.68, well_depth=495.3, dipole=0.43, polar=12.3, rot_relax=1.0), note=u'G3B3') species(name=u'OA1CH3', atoms='H:7 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-3.88641950E+00, 7.84259616E-02, -6.20806903E-05, 2.17166947E-08, -1.65778530E-12, 4.71681386E+02, 4.48067664E+01]), NASA([1000.00, 3000.00], [ 4.14521668E+00, 5.02784126E-02, -2.90785098E-05, 8.02843592E-09, -8.55794251E-13, -1.22524065E+03, 5.33490308E+00])), transport=gas_transport(geom='nonlinear', diam=5.68, well_depth=495.3, dipole=0.43, polar=12.3, rot_relax=1.0), note=u'G3B3') species(name=u'A1CH2O', atoms='H:7 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-4.75332952E+00, 7.85832217E-02, -5.57118748E-05, 1.19664685E-08, 2.51904475E-12, 1.31155256E+04, 4.93043758E+01]), NASA([1000.00, 3000.00], [ 2.07930551E+00, 5.52718914E-02, -3.31303125E-05, 9.40679473E-09, -1.02414852E-12, 1.17599254E+04, 1.58657771E+01])), transport=gas_transport(geom='nonlinear', diam=5.68, well_depth=495.3, dipole=0.43, polar=12.3, rot_relax=1.0), note=u'G3B3') species(name=u'A1CH2OH', atoms='H:8 C:7 O:1', thermo=(NASA([200.00, 1000.00], [ 2.85739935E+00, 2.38770620E-02, 8.40508017E-05, -1.33985586E-07, 5.69938876E-11, -1.37956049E+04, 1.73101737E+01]), NASA([1000.00, 6000.00], [ 1.51623145E+01, 2.69370369E-02, -9.80289631E-06, 1.59282076E-09, -9.57107837E-14, -1.88226234E+04, -5.47426976E+01])), transport=gas_transport(geom='nonlinear', diam=5.68, well_depth=495.3, dipole=0.43, polar=12.3, rot_relax=1.0), note=u'T10/06') species(name=u'A1CHO', atoms='H:6 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-3.47171048E+00, 6.92891889E-02, -4.32603509E-05, 3.43871096E-09, 4.81010261E-12, -6.14558774E+03, 4.14094024E+01]), NASA([1000.00, 3000.00], [ 1.87355756E+00, 5.26231551E-02, -3.17644962E-05, 9.06403069E-09, -9.90306123E-13, -7.23603865E+03, 1.49787009E+01])), transport=gas_transport(geom='nonlinear', diam=5.68, well_depth=495.3, dipole=0.43, polar=12.3, rot_relax=1.0), note=u'G3B3') species(name=u'A1O', atoms='H:5 C:6 O:1', thermo=(NASA([300.00, 1000.00], [-4.51502441E+00, 7.03951529E-02, -5.92556211E-05, 2.12909623E-08, -1.45168676E-12, 5.19173466E+03, 4.47023480E+01]), NASA([1000.00, 3000.00], [ 3.39256520E+00, 4.17379690E-02, -2.49836783E-05, 7.08827005E-09, -7.71343006E-13, 3.60336039E+03, 6.16401148E+00])), transport=gas_transport(geom='nonlinear', diam=5.92, well_depth=410.0), note=u'G3B3') species(name=u'A1CH3*', atoms='H:7 C:7', thermo=(NASA([300.00, 1000.00], [-3.91657299E+00, 6.65870094E-02, -3.99725038E-05, 2.04680797E-09, 4.98559390E-12, 3.54243469E+04, 4.51374437E+01]), NASA([1000.00, 3000.00], [ 5.19780822E-01, 5.26219754E-02, -3.12983433E-05, 8.84817377E-09, -9.61252202E-13, 3.45681510E+04, 2.33397406E+01])), transport=gas_transport(geom='nonlinear', diam=5.68, well_depth=495.3, dipole=0.43, polar=12.3, rot_relax=1.0), note=u'G3B3') species(name=u'A1C2H4', atoms='H:9 C:8', thermo=(NASA([200.00, 1000.00], [ 7.33299107E-01, 4.59053158E-02, 3.78257231E-05, -9.12367411E-08, 4.25589678E-11, 2.61572945E+04, 2.50411074E+01]), NASA([1000.00, 6000.00], [ 1.61326962E+01, 2.82904273E-02, -1.01801876E-05, 1.64176637E-09, -9.81375329E-14, 2.08791061E+04, -6.00115413E+01])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'C6H5C2H4A11/04') species(name=u'A1C2H5', atoms='H:10 C:8', thermo=(NASA([200.00, 1000.00], [ 1.24076722E+00, 3.59132829E-02, 7.54222474E-05, -1.31904301E-07, 5.74746803E-11, 1.18391719E+03, 2.24682133E+01]), NASA([1000.00, 6000.00], [ 1.56901336E+01, 3.23663075E-02, -1.16864578E-05, 1.88989562E-09, -1.13201791E-13, -4.38669907E+03, -6.04442403E+01])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'C6H5C2H5A11/04') species(name=u'C8H9O2', atoms='H:9 C:8 O:2', thermo=(NASA([300.00, 1000.00], [-3.87929417E+00, 8.98132066E-02, -4.93685508E-05, -4.06345681E-09, 9.57158935E-12, 1.81922098E+04, 4.80636199E+01]), NASA([1000.00, 3000.00], [ 1.74946727E+00, 7.33868774E-02, -4.43641045E-05, 1.26915924E-08, -1.39033842E-12, 1.71120874E+04, 2.02610849E+01])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'C8H8OOH', atoms='H:9 C:8 O:2', thermo=(NASA([300.00, 1000.00], [-3.87929417E+00, 8.98132066E-02, -4.93685508E-05, -4.06345681E-09, 9.57158935E-12, 1.81922098E+04, 4.80636199E+01]), NASA([1000.00, 3000.00], [ 1.74946727E+00, 7.33868774E-02, -4.43641045E-05, 1.26915924E-08, -1.39033842E-12, 1.71120874E+04, 2.02610849E+01])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'OC8H7OOH', atoms='H:8 C:8 O:3', thermo=(NASA([300.00, 1000.00], [-1.93576547E+00, 9.24900716E-02, -6.09729593E-05, 7.89850275E-09, 5.41026965E-12, -2.01714879E+04, 3.91784215E+01]), NASA([1000.00, 3000.00], [ 5.90515216E+00, 6.70729450E-02, -4.03281386E-05, 1.14965704E-08, -1.25640981E-12, -2.17516302E+04, 5.77311543E-01])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'A1CH3CH3', atoms='H:10 C:8', thermo=(NASA([300.00, 1000.00], [-3.46066830E+00, 7.17789316E-02, -2.55611032E-05, -1.74870775E-08, 1.22856956E-11, 1.62314629E+02, 4.36521185E+01]), NASA([1000.00, 3000.00], [-1.95577967E+00, 7.09552723E-02, -4.19975432E-05, 1.18372259E-08, -1.28339716E-12, -6.91883225E+01, 3.59161008E+01])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'A1CH3CH2', atoms='H:9 C:8', thermo=(NASA([300.00, 1000.00], [-5.06171538E+00, 8.70708264E-02, -6.45749806E-05, 1.84648642E-08, 4.97871788E-13, 1.90750247E+04, 4.96831365E+01]), NASA([1000.00, 3000.00], [ 2.36833258E+00, 6.03935028E-02, -3.50507105E-05, 9.72810282E-09, -1.04236133E-12, 1.76344521E+04, 1.35706841E+01])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'A1CH3CHO', atoms='H:8 C:8 O:1', thermo=(NASA([300.00, 1000.00], [-2.28640538E+00, 7.20780836E-02, -3.23578774E-05, -1.04515180E-08, 9.86065956E-12, -1.07389561E+04, 3.92085598E+01]), NASA([1000.00, 3000.00], [ 9.22059379E-01, 6.50623128E-02, -3.90202529E-05, 1.10866861E-08, -1.20786311E-12, -1.13895901E+04, 2.29799582E+01])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2CH3', atoms='H:10 C:11', thermo=(NASA([300.00, 1000.00], [-7.20788596E+00, 1.09244669E-01, -7.11311046E-05, 9.43727348E-09, 6.02816350E-12, 1.21406213E+04, 5.68169697E+01]), NASA([1000.00, 3000.00], [ 1.43553166E+00, 8.12453307E-02, -4.85900900E-05, 1.37795894E-08, -1.49924613E-12, 1.04031044E+04, 1.42736010E+01])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A1CHOCH2', atoms='H:7 C:8 O:1', thermo=(NASA([300.00, 1000.00], [-3.91654934E+00, 8.75542631E-02, -7.17106548E-05, 2.57664520E-08, -2.00458849E-12, 8.48223476E+03, 4.46893143E+01]), NASA([1000.00, 3000.00], [ 5.25955102E+00, 5.44879576E-02, -3.20685601E-05, 8.97677768E-09, -9.66803716E-13, 6.61511721E+03, -1.14571359E-01])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'A1CHOCHO', atoms='H:6 C:8 O:2', thermo=(NASA([300.00, 1000.00], [-1.05921174E+00, 7.25550600E-02, -3.97445378E-05, -2.80273311E-09, 7.21999995E-12, -2.09983131E+04, 3.32342592E+01]), NASA([1000.00, 3000.00], [ 3.92023646E+00, 5.90009596E-02, -3.59224864E-05, 1.02976725E-08, -1.12780488E-12, -2.20802686E+04, 8.20067367E+00])), transport=gas_transport(geom='nonlinear', diam=6.0, well_depth=546.2, dipole=0.13, polar=15.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2OH', atoms='H:8 C:10 O:1', thermo=(NASA([200.00, 1000.00], [-2.08768263E+00, 7.68099506E-02, -1.53593023E-05, -4.04657632E-08, 2.33759779E-11, -6.29056385E+03, 3.43331051E+01]), NASA([1000.00, 6000.00], [ 2.08930252E+01, 3.10560066E-02, -1.14407562E-05, 1.87872866E-09, -1.13823881E-13, -1.35886443E+04, -8.88597101E+01])), transport=gas_transport(geom='nonlinear', diam=6.18, well_depth=630.4, polar=16.5, rot_relax=1.0), note=u'NaphtholT7/98') species(name=u'A2CH2', atoms='H:9 C:11', thermo=(NASA([300.00, 1000.00], [-9.33279584E+00, 1.23840886E-01, -1.08233582E-04, 4.33681755E-08, -5.01787746E-12, 3.25141112E+04, 6.62741498E+01]), NASA([1000.00, 3000.00], [ 4.97463689E+00, 7.11469171E-02, -4.20246831E-05, 1.18025539E-08, -1.27461838E-12, 2.96267836E+04, -3.38251552E+00])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2CH2O', atoms='H:9 C:11 O:1', thermo=(NASA([300.00, 1000.00], [-7.78907165E+00, 1.18258386E-01, -8.92609860E-05, 2.40235423E-08, 1.63301166E-12, 2.40306202E+04, 6.33842546E+01]), NASA([1000.00, 3000.00], [ 3.88859655E+00, 7.80883481E-02, -4.70476187E-05, 1.33962476E-08, -1.46069161E-12, 2.16424127E+04, 6.09699174E+00])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2CHO', atoms='H:8 C:11 O:1', thermo=(NASA([300.00, 1000.00], [-4.87929110E+00, 9.83093630E-02, -4.54845339E-05, -2.01808344E-08, 1.77149134E-11, 1.63189711E+03, 4.72936201E+01]), NASA([1000.00, 3000.00], [-5.55792190E-01, 8.73748443E-02, -5.61818352E-05, 1.67233286E-08, -1.88092851E-12, 1.03455228E+03, 2.63086898E+01])), transport=gas_transport(geom='nonlinear', diam=6.47, well_depth=693.1, polar=18.0, rot_relax=1.0), note=u'G3B3') species(name=u'A2O', atoms='H:7 C:10 O:1', thermo=(NASA([200.00, 1000.00], [-1.15176448E+00, 6.11354512E-02, 3.20151083E-05, -9.94285290E-08, 4.79990043E-11, 1.14058756E+04, 3.25584836E+01]), NASA([1000.00, 6000.00], [ 2.10591364E+01, 2.82563070E-02, -1.03328686E-05, 1.68867034E-09, -1.01974767E-13, 4.09143507E+03, -8.84963398E+01])), transport=gas_transport(geom='nonlinear', diam=6.18, well_depth=630.4, polar=16.5, rot_relax=1.0), note=u'NapththoxyT7/98') species(name=u'OC6H4O', atoms='H:4 C:6 O:2', thermo=(NASA([300.00, 1000.00], [-2.04371804E+00, 6.60964467E-02, -5.67977439E-05, 2.24901031E-08, -2.67349671E-12, -1.24369410E+04, 3.43096110E+01]), NASA([1000.00, 3000.00], [ 5.70290193E+00, 3.85045001E-02, -2.28744718E-05, 6.43291874E-09, -6.94257842E-13, -1.40768967E+04, -3.71424836E+00])), transport=gas_transport(geom='nonlinear', diam=5.29, well_depth=464.8, polar=10.32, rot_relax=1.0), note=u'p-quinoneG3B3') species(name=u'C5H81-3', atoms='H:8 C:5', thermo=(NASA([300.00, 1000.00], [-2.32617433E+00, 6.38696042E-02, -5.57052591E-05, 2.58049480E-08, -4.83405924E-12, 6.55183321E+03, 3.42036513E+01]), NASA([1000.00, 5000.00], [ 8.01716572E+00, 2.88566780E-02, -1.18753675E-05, 1.81058338E-09, 0.00000000E+00, 4.13677173E+03, -1.73580233E+01])), transport=gas_transport(geom='linear', diam=5.33, well_depth=449.68, dipole=0.4, rot_relax=1.0)) species(name=u'C7H13', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-2.01707658E+00, 8.08915559E-02, -5.43383904E-05, 1.88066108E-08, -2.66059253E-12, 6.81102828E+03, 3.89797235E+01]), NASA([1000.00, 5000.00], [ 5.78335940E+00, 5.60947716E-02, -2.54855372E-05, 4.28951338E-09, 0.00000000E+00, 4.88852256E+03, -3.59537289E-01])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0)) species(name=u'C6H13', 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='nonlinear', diam=5.78, well_depth=510.73)) species(name=u'OCHO', atoms='H:1 C:1 O:2', thermo=(NASA([300.00, 1000.00], [ 1.42991854E+00, 1.22803284E-02, -5.28461096E-06, -3.73026551E-10, 5.07953571E-13, -1.62042814E+04, 1.80411779E+01]), NASA([1000.00, 5000.00], [ 1.69314163E+00, 1.24325760E-02, -6.88672900E-06, 1.32157437E-09, 0.00000000E+00, -1.63316485E+04, 1.64338301E+01])), transport=gas_transport(geom='nonlinear', diam=3.59, well_depth=498.0, rot_relax=2.0)) species(name=u'HOCHO', atoms='H:2 C:1 O:2', thermo=(NASA([300.00, 1000.00], [ 1.28069021E+00, 1.52887758E-02, -5.64150476E-06, -1.22968799E-09, 8.14273233E-13, -4.64347524E+04, 1.83142081E+01]), NASA([1000.00, 5000.00], [ 1.24573687E+00, 1.67242062E-02, -9.22177878E-06, 1.76438220E-09, 0.00000000E+00, -4.65097525E+04, 1.81159087E+01])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0)) species(name=u'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, -2.28023001E+04, 7.46807254E+00]), NASA([1000.00, 5000.00], [ 1.72976110E+00, 1.61486804E-02, -7.75692098E-06, 1.37089042E-09, 0.00000000E+00, -2.22802407E+04, 1.91890617E+01])), transport=gas_transport(geom='nonlinear', diam=4.41, well_depth=470.6, rot_relax=1.5)) species(name=u'O2CHO', atoms='H:1 C:1 O:3', thermo=(NASA([300.00, 1000.00], [ 3.96059309E+00, 1.06002279E-02, -5.25713351E-06, 1.01716726E-09, -2.87487602E-14, -1.73599383E+04, 1.17807483E+01]), NASA([1000.00, 5000.00], [ 4.05631532E+00, 1.02919332E-02, -4.89896198E-06, 8.42819470E-10, 0.00000000E+00, -1.73830665E+04, 1.12996603E+01])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0)) species(name=u'HO2CHO', atoms='H:2 C:1 O:3', thermo=(NASA([300.00, 1000.00], [ 2.42464726E+00, 2.19706380E-02, -1.68705546E-05, 6.25612194E-09, -9.11645843E-13, -3.54828006E+04, 1.75027796E+01]), NASA([1000.00, 5000.00], [ 5.19208731E+00, 1.32377286E-02, -6.79541016E-06, 1.23480098E-09, 0.00000000E+00, -3.61691664E+04, 3.52718036E+00])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0)) species(name=u'CH3CO', atoms='H:3 C:2 O:1', thermo=(NASA([300.00, 1000.00], [ 2.52884150E+00, 1.37152173E-02, -4.28607476E-06, -7.71684278E-10, 4.83836380E-13, -3.02546532E+03, 1.40340315E+01]), NASA([1000.00, 5000.00], [ 2.01002485E+00, 1.58541129E-02, -7.49125231E-06, 1.29725074E-09, 0.00000000E+00, -2.92817041E+03, 1.65128972E+01])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0)) species(name=u'CH3CO2', atoms='H:3 C:2 O:2', thermo=(NASA([300.00, 1000.00], [ 1.37440768E+00, 2.49115604E-02, -1.74308894E-05, 6.24799508E-09, -9.09516835E-13, -2.72330150E+04, 1.81405454E+01]), NASA([1000.00, 5000.00], [ 4.04855337E+00, 1.64184075E-02, -7.55750381E-06, 1.28409988E-09, 0.00000000E+00, -2.78926423E+04, 4.65191404E+00])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0)) species(name=u'CH3OCO', atoms='H:3 C:2 O:2', thermo=(NASA([300.00, 1000.00], [ 2.83313145E+00, 1.53447505E-02, 1.89583962E-06, -7.70200413E-09, 2.41564410E-12, -2.13431832E+04, 1.39524183E+01]), NASA([1000.00, 5000.00], [ 8.96049645E-02, 2.64901996E-02, -1.45801232E-05, 2.78768018E-09, 0.00000000E+00, -2.08196859E+04, 2.71039098E+01])), transport=gas_transport(geom='nonlinear', diam=4.037, well_depth=395.0, dipole=1.3, rot_relax=1.0)) species(name=u'C2H5O2', atoms='H:5 C:2 O:2', thermo=(NASA([300.00, 1000.00], [ 2.58630333E+00, 2.61836362E-02, -1.68306193E-05, 6.08749295E-09, -9.57302040E-13, -4.58588992E+03, 1.50486289E+01]), NASA([1000.00, 5000.00], [ 4.83503732E+00, 1.87162611E-02, -7.68476909E-06, 1.20298178E-09, 0.00000000E+00, -5.11988573E+03, 3.79821963E+00])), transport=gas_transport(geom='nonlinear', diam=4.41, well_depth=470.6, rot_relax=1.5)) species(name=u'CH3CO3', atoms='H:3 C:2 O:3', thermo=(NASA([300.00, 1000.00], [ 3.60373432E+00, 2.70080341E-02, -2.08293438E-05, 8.50541104E-09, -1.43846110E-12, -2.34205171E+04, 1.12014914E+01]), NASA([1000.00, 5000.00], [ 6.99421069E+00, 1.57684758E-02, -7.08319519E-06, 1.16988327E-09, 0.00000000E+00, -2.42270741E+04, -5.76704497E+00])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0)) species(name=u'CH3CO3H', atoms='H:4 C:2 O:3', thermo=(NASA([300.00, 1000.00], [ 2.24135876E+00, 3.37963514E-02, -2.53887482E-05, 9.67583587E-09, -1.49266157E-12, -4.24677831E+04, 1.70668133E+01]), NASA([1000.00, 5000.00], [ 6.38601528E+00, 2.05005671E-02, -9.73848768E-06, 1.68404152E-09, 0.00000000E+00, -4.34818847E+04, -3.80203963E+00])), transport=gas_transport(geom='nonlinear', diam=3.97, well_depth=436.0, rot_relax=2.0)) species(name=u'C3H6O1-2', atoms='H:6 C:3 O:1', thermo=(NASA([300.00, 1000.00], [-1.21988153E+00, 4.28578772E-02, -3.17530249E-05, 1.21763736E-08, -1.94154303E-12, -1.22953761E+04, 2.88467826E+01]), NASA([1000.00, 5000.00], [ 3.38847938E+00, 2.75998053E-02, -1.31204208E-05, 2.25193748E-09, 0.00000000E+00, -1.33927687E+04, 5.77788266E+00])), transport=gas_transport(geom='nonlinear', diam=4.968, well_depth=403.6, dipole=2.0, rot_relax=1.0)) species(name=u'C2H5CO', atoms='H:5 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 8.35352246E+00, -4.08739727E-03, 3.64217954E-05, -2.72457713E-08, 6.06440266E-12, -6.58577307E+03, -1.05948346E+01]), NASA([1000.00, 5000.00], [-6.94645722E+00, 4.57483957E-02, -2.34142541E-05, 4.11886760E-09, 0.00000000E+00, -2.88661922E+03, 6.62371337E+01])), transport=gas_transport(geom='nonlinear', diam=4.82, well_depth=424.6, rot_relax=1.0)) species(name=u'CH3COCH2', atoms='H:5 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 1.22337251E+00, 3.24546742E-02, -2.13542518E-05, 6.96777735E-09, -8.99160299E-13, -6.59419324E+03, 2.05537233E+01]), NASA([1000.00, 5000.00], [ 4.12743010E+00, 2.33730564E-02, -1.10040288E-05, 1.89595418E-09, 0.00000000E+00, -7.31939257E+03, 5.86552803E+00])), transport=gas_transport(geom='nonlinear', diam=4.86, well_depth=435.5, rot_relax=1.0)) species(name=u'C2H5CHO', atoms='H:6 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 5.93107530E+00, 8.87943855E-03, 2.03764325E-05, -1.80149348E-08, 4.14085655E-12, -2.51377751E+04, -5.87019974E-01]), NASA([1000.00, 5000.00], [-4.81085452E+00, 4.36437972E-02, -2.10673519E-05, 3.54727729E-09, 0.00000000E+00, -2.25258115E+04, 5.34209461E+01])), transport=gas_transport(geom='nonlinear', diam=4.662, well_depth=435.2, dipole=2.7, rot_relax=1.0)) species(name=u'CH3COCH2O', atoms='H:5 C:3 O:2', thermo=(NASA([300.00, 1000.00], [ 3.72927689E+00, 2.63943697E-02, -1.09796486E-05, 8.58185303E-10, 3.39474590E-13, -1.91551565E+04, 1.18505335E+01]), NASA([1000.00, 5000.00], [ 3.50032506E+00, 2.75257713E-02, -1.28950710E-05, 2.21063245E-09, 0.00000000E+00, -1.91236482E+04, 1.28924392E+01])), transport=gas_transport(geom='nonlinear', diam=5.086, well_depth=447.639)) species(name=u'C3H6OOH1-2', atoms='H:7 C:3 O:2', thermo=(NASA([300.00, 1000.00], [ 2.87774562E+00, 3.74166999E-02, -2.36058063E-05, 7.79930860E-09, -1.06042562E-12, -7.82368119E+02, 1.93941340E+01]), NASA([1000.00, 5000.00], [ 6.11209376E+00, 2.71994345E-02, -1.18138942E-05, 1.92988821E-09, 0.00000000E+00, -1.58345092E+03, 3.06472503E+00])), transport=gas_transport(geom='nonlinear', diam=4.662, well_depth=435.2, dipole=2.7, rot_relax=1.0)) species(name=u'I-C3H7O2', 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='nonlinear', diam=5.036, well_depth=459.5, dipole=1.7, rot_relax=1.0)) species(name=u'N-C3H7O2', 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='nonlinear', diam=4.997, well_depth=481.5, dipole=1.7, rot_relax=1.0)) species(name=u'CH3COCH2O2', atoms='H:5 C:3 O:3', thermo=(NASA([300.00, 1000.00], [ 5.95535468E+00, 2.70255205E-02, -1.37385031E-05, 3.53735851E-09, -4.03922557E-13, -2.06679464E+04, 5.21436049E+00]), NASA([1000.00, 5000.00], [ 6.39329449E+00, 2.51799300E-02, -1.09572190E-05, 1.75980253E-09, 0.00000000E+00, -2.07465812E+04, 3.13566590E+00])), transport=gas_transport(geom='nonlinear', diam=5.429, well_depth=502.115)) species(name=u'CH3COCH2O2H', atoms='H:6 C:3 O:3', thermo=(NASA([300.00, 1000.00], [ 4.94789761E+00, 3.60474432E-02, -2.21719933E-05, 6.98296874E-09, -9.21269260E-13, -3.88687178E+04, 8.49926130E+00]), NASA([1000.00, 5000.00], [ 7.24028399E+00, 2.85127508E-02, -1.30584984E-05, 2.19051057E-09, 0.00000000E+00, -3.94177289E+04, -2.99086912E+00])), transport=gas_transport(geom='nonlinear', diam=5.449, well_depth=505.403)) species(name=u'C6H12-1', 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='nonlinear', diam=5.85, well_depth=423.4, polar=11.65, rot_relax=1.0)) species(name=u'C2H5COCH2', atoms='H:7 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 1.54013856E+00, 4.39486258E-02, -2.97002421E-05, 1.05495313E-08, -1.58598769E-12, -9.50796505E+03, 1.99706641E+01]), NASA([1000.00, 5000.00], [ 5.33383611E+00, 3.13958529E-02, -1.43898013E-05, 2.41217813E-09, 0.00000000E+00, -1.04116157E+04, 9.78236460E-01])), transport=gas_transport(geom='nonlinear', diam=5.413, well_depth=454.0, dipole=3.3, rot_relax=1.0)) species(name=u'P-C4H9O2', 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='nonlinear', diam=5.2, well_depth=496.0, rot_relax=1.0)) species(name=u'C4H9CO', atoms='H:9 C:5 O:1', thermo=(NASA([300.00, 1000.00], [ 9.58299271E-01, 5.68162532E-02, -3.99112781E-05, 1.52671514E-08, -2.49221047E-12, -1.23062238E+04, 2.34112884E+01]), NASA([1000.00, 5000.00], [ 6.60541751E+00, 3.79192119E-02, -1.65663397E-05, 2.67992561E-09, 0.00000000E+00, -1.36381032E+04, -4.80036099E+00])), transport=gas_transport(geom='nonlinear', diam=5.348, well_depth=489.084)) species(name=u'N-C4H9CHO', atoms='H:10 C:5 O:1', thermo=(NASA([300.00, 1000.00], [ 1.59663472E+00, 5.43541416E-02, -3.21020651E-05, 9.35773559E-09, -1.06688932E-12, -2.99841025E+04, 2.21281498E+01]), NASA([1000.00, 5000.00], [ 4.99358295E+00, 4.36885090E-02, -1.98947553E-05, 3.35222081E-09, 0.00000000E+00, -3.08293369E+04, 4.95995633E+00])), transport=gas_transport(geom='nonlinear', diam=5.778, well_depth=476.0, dipole=2.6, rot_relax=1.0)) species(name=u'C5H10OOH1-3', atoms='H:11 C:5 O:2', thermo=(NASA([300.00, 1000.00], [ 1.66304681E+00, 6.42511734E-02, -3.94124754E-05, 1.15348101E-08, -1.25128422E-12, -7.22288006E+03, 2.70063739E+01]), NASA([1000.00, 5000.00], [ 6.32151455E+00, 4.99924011E-02, -2.36190497E-05, 4.09040479E-09, 0.00000000E+00, -8.40559237E+03, 3.35752567E+00])), transport=gas_transport(geom='nonlinear', diam=5.664, well_depth=523.2, dipole=1.7, rot_relax=1.0)) species(name=u'C5H11O2-1', atoms='H:11 C:5 O:2', thermo=(NASA([300.00, 1000.00], [ 1.39788038E+00, 6.52788893E-02, -4.34224032E-05, 1.57151743E-08, -2.46631324E-12, -1.36791222E+04, 2.55411824E+01]), NASA([1000.00, 5000.00], [ 6.77167019E+00, 4.71241592E-02, -2.07679992E-05, 3.37539733E-09, 0.00000000E+00, -1.49353334E+04, -1.25543377E+00])), transport=gas_transport(geom='nonlinear', diam=5.664, well_depth=523.2, dipole=1.7, rot_relax=1.0)) species(name=u'NC5KET13', atoms='H:10 C:5 O:3', thermo=(NASA([300.00, 1000.00], [ 2.53945153E+00, 7.08645319E-02, -5.32266350E-05, 2.12906293E-08, -3.56676536E-12, -4.29988725E+04, 2.14543054E+01]), NASA([1000.00, 5000.00], [ 1.06466764E+01, 4.37696431E-02, -1.97917667E-05, 3.27665956E-09, 0.00000000E+00, -4.49134697E+04, -1.90580002E+01])), transport=gas_transport(geom='nonlinear', diam=6.174, well_depth=494.8, dipole=1.8, rot_relax=1.0)) species(name=u'C5H10OOH1-3O2', atoms='H:11 C:5 O:4', thermo=(NASA([300.00, 1000.00], [ 2.53072834E+00, 8.12167401E-02, -6.33054798E-05, 2.63900700E-08, -4.58739612E-12, -2.67337637E+04, 2.39105049E+01]), NASA([1000.00, 5000.00], [ 1.25570393E+01, 4.74215976E-02, -2.12067316E-05, 3.47275724E-09, 0.00000000E+00, -2.90835705E+04, -2.61107742E+01])), transport=gas_transport(geom='nonlinear', diam=5.664, well_depth=523.2, dipole=1.7, rot_relax=1.0)) species(name=u'C6H11', atoms='H:11 C:6', thermo=(NASA([300.00, 1000.00], [-1.68400759E+00, 6.82608096E-02, -4.55829418E-05, 1.56920477E-08, -2.21118204E-12, 9.68283708E+03, 3.57445494E+01]), NASA([1000.00, 5000.00], [ 4.77518674E+00, 4.77123435E-02, -2.16524106E-05, 3.63960622E-09, 0.00000000E+00, 8.09190602E+03, 3.17390110E+00])), transport=gas_transport(geom='nonlinear', diam=5.85, well_depth=423.4, polar=11.65, rot_relax=1.0)) species(name=u'C6H13O-1', atoms='H:13 C:6 O:1', thermo=(NASA([300.00, 1000.00], [-2.75164321E-01, 7.54319868E-02, -4.89209083E-05, 1.64641255E-08, -2.29328813E-12, -1.49282944E+04, 3.31091672E+01]), NASA([1000.00, 5000.00], [ 6.18290785E+00, 5.47389289E-02, -2.46157210E-05, 4.10063573E-09, 0.00000000E+00, -1.65093519E+04, 5.86690462E-01])), transport=gas_transport(geom='nonlinear', diam=5.662, well_depth=540.597)) species(name=u'N-C12H26', atoms='H:26 C:12', thermo=(NASA([300.00, 1000.00], [-2.62181594E+00, 1.47237711E-01, -9.43970271E-05, 3.07441268E-08, -4.03602230E-12, -4.00654253E+04, 5.00994626E+01]), NASA([1000.00, 5000.00], [ 9.97283422E+00, 1.07615296E-01, -4.89001251E-05, 8.23896743E-09, 0.00000000E+00, -4.31954165E+04, -1.35346202E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C5H11CO', atoms='H:11 C:6 O:1', thermo=(NASA([300.00, 1000.00], [ 6.57240675E-01, 6.91820222E-02, -4.79956182E-05, 1.78114857E-08, -2.80456388E-12, -1.51806661E+04, 2.65180216E+01]), NASA([1000.00, 5000.00], [ 7.26971733E+00, 4.72425657E-02, -2.11495713E-05, 3.48785476E-09, 0.00000000E+00, -1.67521019E+04, -6.56951322E+00])), transport=gas_transport(geom='nonlinear', diam=5.625, well_depth=534.323)) species(name=u'N-C5H11CHO', atoms='H:12 C:6 O:1', thermo=(NASA([300.00, 1000.00], [ 1.37517192E+00, 6.65669689E-02, -4.04423050E-05, 1.23836270E-08, -1.52905857E-12, -3.28740986E+04, 2.48343934E+01]), NASA([1000.00, 5000.00], [ 5.95057618E+00, 5.20534545E-02, -2.36124305E-05, 3.96280402E-09, 0.00000000E+00, -3.40033098E+04, 1.75187393E+00])), transport=gas_transport(geom='nonlinear', diam=6.009, well_depth=498.6, dipole=2.0, rot_relax=1.0)) species(name=u'C6H12OOH1-3', atoms='H:13 C:6 O:2', thermo=(NASA([300.00, 1000.00], [ 1.46739689E+00, 7.63926681E-02, -4.77256697E-05, 1.46093613E-08, -1.73635234E-12, -1.01177260E+04, 2.95852272E+01]), NASA([1000.00, 5000.00], [ 7.28435892E+00, 5.82987977E-02, -2.72524627E-05, 4.67671028E-09, 0.00000000E+00, -1.15762629E+04, 1.37139471E-01])), transport=gas_transport(geom='nonlinear', diam=5.943, well_depth=588.653)) species(name=u'C6H13O2-1', atoms='H:13 C:6 O:2', thermo=(NASA([300.00, 1000.00], [ 1.24283154E+00, 7.71349324E-02, -5.11549390E-05, 1.83242032E-08, -2.83058645E-12, -1.65776531E+04, 2.79518801E+01]), NASA([1000.00, 5000.00], [ 7.63398443E+00, 5.57151700E-02, -2.46582864E-05, 4.02557369E-09, 0.00000000E+00, -1.80826022E+04, -3.96664066E+00])), transport=gas_transport(geom='nonlinear', diam=5.943, well_depth=588.653)) species(name=u'NC6KET13', atoms='H:12 C:6 O:3', thermo=(NASA([300.00, 1000.00], [ 2.36496601E+00, 8.28625471E-02, -6.12300153E-05, 2.40951600E-08, -3.97857713E-12, -4.58958895E+04, 2.39438215E+01]), NASA([1000.00, 5000.00], [ 1.15530982E+01, 5.22579661E-02, -2.36066728E-05, 3.90968916E-09, 0.00000000E+00, -4.80721931E+04, -2.19987916E+01])), transport=gas_transport(geom='nonlinear', diam=6.548, well_depth=467.0, dipole=1.8, rot_relax=1.0)) species(name=u'C6H12OOH1-3O2', atoms='H:13 C:6 O:4', thermo=(NASA([300.00, 1000.00], [ 2.19542973E+00, 9.38208455E-02, -7.19541247E-05, 2.94849979E-08, -5.04751943E-12, -2.96046234E+04, 2.71617731E+01]), NASA([1000.00, 5000.00], [ 1.34509716E+01, 5.60495253E-02, -2.51305905E-05, 4.12972260E-09, 0.00000000E+00, -3.22530350E+04, -2.90393242E+01])), transport=gas_transport(geom='nonlinear', diam=6.436, well_depth=677.149)) species(name=u'C6H13CO', atoms='H:13 C:7 O:1', thermo=(NASA([300.00, 1000.00], [ 1.93694615E+00, 7.39274486E-02, -4.56214373E-05, 1.42542568E-08, -1.80627748E-12, -1.72369679E+04, 2.49577995E+01]), NASA([1000.00, 5000.00], [ 7.27967266E+00, 5.69490404E-02, -2.58865230E-05, 4.34874667E-09, 0.00000000E+00, -1.85536731E+04, -1.98722940E+00])), transport=gas_transport(geom='nonlinear', diam=6.24, well_depth=534.5, dipole=2.58, polar=13.5, rot_relax=1.0)) species(name=u'N-C6H13CHO', atoms='H:14 C:7 O:1', thermo=(NASA([300.00, 1000.00], [ 1.16727179E+00, 7.87064030E-02, -4.86434224E-05, 1.53022620E-08, -1.96404790E-12, -3.57659062E+04, 2.74799549E+01]), NASA([1000.00, 5000.00], [ 6.88514878E+00, 6.04842547E-02, -2.73887088E-05, 4.58777185E-09, 0.00000000E+00, -3.71718006E+04, -1.34246379E+00])), transport=gas_transport(geom='nonlinear', diam=6.24, well_depth=534.5, dipole=2.58, polar=13.5, rot_relax=1.0)) species(name=u'C7H14OOH1-3', atoms='H:15 C:7 O:2', thermo=(NASA([300.00, 1000.00], [ 1.11146206E+00, 8.91595392E-02, -5.67352382E-05, 1.78890094E-08, -2.22260206E-12, -1.29868314E+04, 3.29200052E+01]), NASA([1000.00, 5000.00], [ 8.32815125E+00, 6.66044890E-02, -3.10526033E-05, 5.32213346E-09, 0.00000000E+00, -1.47896752E+04, -3.58407675E+00])), transport=gas_transport(geom='nonlinear', diam=6.317, well_depth=561.0, dipole=1.7, rot_relax=1.0)) species(name=u'C7H15O2-1', atoms='H:15 C:7 O:2', thermo=(NASA([300.00, 1000.00], [ 1.20888552E+00, 8.84061706E-02, -5.79861260E-05, 2.03574689E-08, -3.06460336E-12, -1.92918765E+04, 2.98117097E+01]), NASA([1000.00, 5000.00], [ 8.40579521E+00, 6.44891254E-02, -2.86781614E-05, 4.70503640E-09, 0.00000000E+00, -2.09993977E+04, -6.18839167E+00])), transport=gas_transport(geom='nonlinear', diam=6.317, well_depth=561.0, dipole=1.7, rot_relax=1.0)) species(name=u'NC7KET13', atoms='H:14 C:7 O:3', thermo=(NASA([300.00, 1000.00], [ 2.21629328E+00, 9.47373762E-02, -6.90473651E-05, 2.67820400E-08, -4.36392181E-12, -4.87965510E+04, 2.63157133E+01]), NASA([1000.00, 5000.00], [ 1.24414503E+01, 6.07814401E-02, -2.74470419E-05, 4.54857419E-09, 0.00000000E+00, -5.12249322E+04, -2.48412194E+01])), transport=gas_transport(geom='nonlinear', diam=6.506, well_depth=581.3, dipole=2.0, rot_relax=1.0)) species(name=u'C7H14OOH1-3O2', atoms='H:15 C:7 O:4', thermo=(NASA([300.00, 1000.00], [ 1.89718004E+00, 1.06229796E-01, -8.02770218E-05, 3.23649093E-08, -5.45850472E-12, -3.22790229E+04, 3.02474612E+01]), NASA([1000.00, 5000.00], [ 1.42983169E+01, 6.47818453E-02, -2.91260263E-05, 4.80222288E-09, 0.00000000E+00, -3.52075456E+04, -3.17211685E+01])), transport=gas_transport(geom='nonlinear', diam=7.229, well_depth=600.6, dipole=1.8, rot_relax=1.0)) species(name=u'C8H15', atoms='H:15 C:8', thermo=(NASA([300.00, 1000.00], [-1.06767837E+00, 8.52582925E-02, -5.12151748E-05, 1.47537449E-08, -1.56139848E-12, 8.90562157E+03, 4.08246085E+01]), NASA([1000.00, 5000.00], [ 5.06047558E+00, 6.66391760E-02, -3.08000053E-05, 5.26813939E-09, 0.00000000E+00, 7.34109102E+03, 9.67587125E+00])), transport=gas_transport(geom='nonlinear', diam=6.11, well_depth=608.98, polar=15.12, rot_relax=1.0)) species(name=u'C8H16-1', atoms='H:16 C:8', thermo=(NASA([300.00, 1000.00], [-1.89226915E+00, 9.46066357E-02, -6.27385521E-05, 2.15158309E-08, -3.02718683E-12, -1.31074559E+04, 4.11878981E+01]), NASA([1000.00, 5000.00], [ 6.92039805E+00, 6.65524251E-02, -3.00409456E-05, 5.03258102E-09, 0.00000000E+00, -1.52768448E+04, -3.24482298E+00])), transport=gas_transport(geom='nonlinear', diam=6.11, well_depth=608.98, polar=15.12, rot_relax=1.0)) species(name=u'C8H17', atoms='H:17 C:8', thermo=(NASA([300.00, 1000.00], [-7.72759438E-01, 9.32549705E-02, -5.84447245E-05, 1.85570214E-08, -2.37127483E-12, -3.92689511E+03, 3.76130631E+01]), NASA([1000.00, 5000.00], [ 6.64595645E+00, 6.99169822E-02, -3.16536208E-05, 5.31391524E-09, 0.00000000E+00, -5.77046319E+03, 1.30375704E-01])), transport=gas_transport(geom='nonlinear', diam=6.27, well_depth=612.84, polar=15.9, rot_relax=1.0)) species(name=u'C8H17O2-1', atoms='H:17 C:8 O:2', thermo=(NASA([300.00, 1000.00], [ 2.31555413E+00, 9.46696742E-02, -5.71280014E-05, 1.72280162E-08, -2.08138332E-12, -2.34350483E+04, 2.71322464E+01]), NASA([1000.00, 5000.00], [ 8.59886784E+00, 7.47598166E-02, -3.40768439E-05, 5.72201934E-09, 0.00000000E+00, -2.49869298E+04, -4.57208168E+00])), transport=gas_transport(geom='nonlinear', diam=6.27, well_depth=612.84, polar=15.9, rot_relax=1.0)) species(name=u'C7H15CO', atoms='H:15 C:8 O:1', thermo=(NASA([300.00, 1000.00], [ 1.73697916E+00, 8.60262622E-02, -5.37492409E-05, 1.71184327E-08, -2.22771849E-12, -2.01298819E+04, 2.75674680E+01]), NASA([1000.00, 5000.00], [ 8.20398940E+00, 6.54092597E-02, -2.96885480E-05, 4.98001365E-09, 0.00000000E+00, -2.17195608E+04, -5.02918994E+00])), transport=gas_transport(geom='nonlinear', diam=6.24, well_depth=534.5, dipole=2.58, polar=15.0, rot_relax=1.0)) species(name=u'N-C7H15CHO', atoms='H:16 C:8 O:1', thermo=(NASA([300.00, 1000.00], [ 9.66850312E-01, 9.08063795E-02, -5.67710469E-05, 1.81650681E-08, -2.38496879E-12, -3.86587355E+04, 3.00918692E+01]), NASA([1000.00, 5000.00], [ 7.80908620E+00, 6.89463227E-02, -3.11926721E-05, 5.21954548E-09, 0.00000000E+00, -4.03376810E+04, -4.38282041E+00])), transport=gas_transport(geom='nonlinear', diam=6.24, well_depth=534.5, dipole=2.58, polar=15.0, rot_relax=1.0)) species(name=u'C8OOH1-3', atoms='H:17 C:8 O:2', thermo=(NASA([300.00, 1000.00], [ 2.27328019E+00, 9.54480428E-02, -5.68558246E-05, 1.58213809E-08, -1.53046111E-12, -1.69395627E+04, 2.99535633E+01]), NASA([1000.00, 5000.00], [ 9.01967992E+00, 7.52623981E-02, -3.51932732E-05, 6.06761340E-09, 0.00000000E+00, -1.86816409E+04, -4.42590546E+00])), transport=gas_transport(geom='nonlinear', diam=6.27, well_depth=612.84, polar=15.9, rot_relax=1.0)) species(name=u'C8OOH1-3O2', atoms='H:17 C:8 O:4', thermo=(NASA([300.00, 1000.00], [ 3.70943296E+00, 1.06532813E-01, -6.74885336E-05, 2.05932783E-08, -2.38483543E-12, -3.66985222E+04, 2.45549083E+01]), NASA([1000.00, 5000.00], [ 1.22633025E+01, 8.02094219E-02, -3.81185248E-05, 6.60795555E-09, 0.00000000E+00, -3.88613356E+04, -1.88291774E+01])), transport=gas_transport(geom='nonlinear', diam=6.27, well_depth=612.84, polar=15.9, rot_relax=1.0)) species(name=u'C8KET1-3', atoms='H:16 C:8 O:3', thermo=(NASA([300.00, 1000.00], [ 2.83817815E+00, 1.02616118E-01, -7.13679806E-05, 2.59836520E-08, -3.93001195E-12, -5.20329734E+04, 2.49615442E+01]), NASA([1000.00, 5000.00], [ 1.32443961E+01, 6.89053052E-02, -3.12349969E-05, 5.22525121E-09, 0.00000000E+00, -5.45578484E+04, -2.73407779E+01])), transport=gas_transport(geom='nonlinear', diam=6.27, well_depth=612.84, polar=15.9, rot_relax=1.0)) species(name=u'C9H17', atoms='H:17 C:9', thermo=(NASA([300.00, 1000.00], [-1.33553112E+00, 9.76006888E-02, -5.95533898E-05, 1.76195310E-08, -1.95825389E-12, 6.02396539E+03, 4.37577277E+01]), NASA([1000.00, 5000.00], [ 6.01711977E+00, 7.51247534E-02, -3.47012177E-05, 5.93238955E-09, 0.00000000E+00, 4.15535944E+03, 6.42341446E+00])), transport=gas_transport(geom='nonlinear', diam=6.35, well_depth=654.06, polar=16.97, rot_relax=1.0)) species(name=u'C9H18-1', atoms='H:18 C:9', thermo=(NASA([300.00, 1000.00], [-2.16108263E+00, 1.06958297E-01, -7.10973244E-05, 2.43971077E-08, -3.42771547E-12, -1.59890847E+04, 4.41245128E+01]), NASA([1000.00, 5000.00], [ 7.88457953E+00, 7.50189757E-02, -3.39279528E-05, 5.69367977E-09, 0.00000000E+00, -1.84645629E+04, -6.53628043E+00])), transport=gas_transport(geom='nonlinear', diam=6.35, well_depth=654.06, polar=16.97, rot_relax=1.0)) species(name=u'C9H19', atoms='H:19 C:9', thermo=(NASA([300.00, 1000.00], [-1.04387292E+00, 1.05617283E-01, -6.68199971E-05, 2.14486166E-08, -2.77404275E-12, -6.80818512E+03, 4.05602534E+01]), NASA([1000.00, 5000.00], [ 7.61279482E+00, 7.83775464E-02, -3.55364844E-05, 5.97413001E-09, 0.00000000E+00, -8.95900903E+03, -3.17525713E+00])), transport=gas_transport(geom='nonlinear', diam=6.49, well_depth=658.9, polar=17.36, rot_relax=1.0)) species(name=u'C9H19O2-1', atoms='H:19 C:9 O:2', thermo=(NASA([300.00, 1000.00], [ 2.13832594E+00, 1.06627203E-01, -6.49345432E-05, 1.98410774E-08, -2.43974179E-12, -2.63308341E+04, 2.96422973E+01]), NASA([1000.00, 5000.00], [ 9.46090367E+00, 8.34053227E-02, -3.80187741E-05, 6.38486901E-09, 0.00000000E+00, -2.81382910E+04, -7.30081461E+00])), transport=gas_transport(geom='nonlinear', diam=6.49, well_depth=658.9, polar=17.36, rot_relax=1.0)) species(name=u'C8H17CO', atoms='H:17 C:9 O:1', thermo=(NASA([300.00, 1000.00], [ 1.54176205E+00, 9.81000826E-02, -6.18304387E-05, 1.99472150E-08, -2.64022932E-12, -2.30234472E+04, 3.01557488E+01]), NASA([1000.00, 5000.00], [ 9.12188589E+00, 7.38885203E-02, -3.35074563E-05, 5.61544173E-09, 0.00000000E+00, -2.48838866E+04, -8.03862012E+00])), transport=gas_transport(geom='nonlinear', diam=6.27, well_depth=612.84, polar=15.9, rot_relax=1.0)) species(name=u'N-C8H17CHO', atoms='H:18 C:9 O:1', thermo=(NASA([300.00, 1000.00], [ 7.56488136E-01, 1.02972015E-01, -6.49910881E-05, 2.10892072E-08, -2.82096095E-12, -4.15508169E+04, 3.27444410E+01]), NASA([1000.00, 5000.00], [ 8.73373357E+00, 7.74211192E-02, -3.50000718E-05, 5.85088036E-09, 0.00000000E+00, -4.35042303E+04, -7.43082854E+00])), transport=gas_transport(geom='nonlinear', diam=6.27, well_depth=612.84, polar=15.9, rot_relax=1.0)) species(name=u'C9OOH1-3', atoms='H:19 C:9 O:2', thermo=(NASA([300.00, 1000.00], [ 2.05421550E+00, 1.07623414E-01, -6.50767807E-05, 1.87255885E-08, -1.95713815E-12, -1.98294391E+04, 3.26530141E+01]), NASA([1000.00, 5000.00], [ 9.95801071E+00, 8.37044758E-02, -3.89931517E-05, 6.69996440E-09, 0.00000000E+00, -2.18533298E+04, -7.54808842E+00])), transport=gas_transport(geom='nonlinear', diam=6.49, well_depth=658.9, polar=17.36, rot_relax=1.0)) species(name=u'C9OOH1-3O2', atoms='H:19 C:9 O:4', thermo=(NASA([300.00, 1000.00], [ 3.57493997E+00, 1.18151306E-01, -7.46155112E-05, 2.27317962E-08, -2.63307870E-12, -3.95970985E+04, 2.68963250E+01]), NASA([1000.00, 5000.00], [ 1.29694829E+01, 8.92160341E-02, -4.22955176E-05, 7.31945280E-09, 0.00000000E+00, -4.19708666E+04, -2.07444254E+01])), transport=gas_transport(geom='nonlinear', diam=6.49, well_depth=658.9, polar=17.36, rot_relax=1.0)) species(name=u'C9KET1-3', atoms='H:18 C:9 O:3', thermo=(NASA([300.00, 1000.00], [ 2.65048145E+00, 1.14647994E-01, -7.93656509E-05, 2.87453729E-08, -4.32497281E-12, -5.49275303E+04, 2.75163280E+01]), NASA([1000.00, 5000.00], [ 1.41520833E+01, 7.74181932E-02, -3.50858822E-05, 5.86883026E-09, 0.00000000E+00, -5.77200136E+04, -3.02997357E+01])), transport=gas_transport(geom='nonlinear', diam=6.49, well_depth=658.9, polar=17.36, rot_relax=1.0)) species(name=u'C10H19', atoms='H:19 C:10', thermo=(NASA([300.00, 1000.00], [-1.60243104E+00, 1.09940087E-01, -6.78885221E-05, 2.04840700E-08, -2.35492648E-12, 3.14213354E+03, 4.66861857E+01]), NASA([1000.00, 5000.00], [ 6.97424582E+00, 8.36088524E-02, -3.86011570E-05, 6.59633614E-09, 0.00000000E+00, 9.69567113E+02, 3.16866591E+00])), transport=gas_transport(geom='nonlinear', diam=6.59, well_depth=698.2, polar=18.82, rot_relax=1.0)) species(name=u'C10H20-1', atoms='H:20 C:10', thermo=(NASA([300.00, 1000.00], [-2.42901688E+00, 1.19305598E-01, -7.94489025E-05, 2.72736596E-08, -3.82718373E-12, -1.88708365E+04, 4.70571383E+01]), NASA([1000.00, 5000.00], [ 8.84741308E+00, 8.34887330E-02, -3.78172786E-05, 6.35528704E-09, 0.00000000E+00, -2.16518855E+04, -9.82063228E+00])), transport=gas_transport(geom='nonlinear', diam=6.59, well_depth=698.2, polar=18.82, rot_relax=1.0)) species(name=u'C10H21', atoms='H:21 C:10', thermo=(NASA([300.00, 1000.00], [-1.31358348E+00, 1.17972813E-01, -7.51843079E-05, 2.43331106E-08, -3.17522852E-12, -9.68967550E+03, 4.35010452E+01]), NASA([1000.00, 5000.00], [ 8.57773091E+00, 8.68425724E-02, -3.94225413E-05, 6.63504172E-09, 0.00000000E+00, -1.21469869E+04, -6.47082752E+00])), transport=gas_transport(geom='nonlinear', diam=6.69, well_depth=704.92, polar=19.1, rot_relax=1.0)) species(name=u'C10H21O2-1', atoms='H:21 C:10 O:2', thermo=(NASA([300.00, 1000.00], [ 1.86718753E+00, 1.19105277E-01, -7.43427984E-05, 2.38384741E-08, -3.16297908E-12, -2.92101695E+04, 3.25918917E+01]), NASA([1000.00, 5000.00], [ 1.06258395E+01, 9.09303892E-02, -4.11059996E-05, 6.85493204E-09, 0.00000000E+00, -3.13470208E+04, -1.14838083E+01])), transport=gas_transport(geom='nonlinear', diam=6.69, well_depth=704.92, polar=19.1, rot_relax=1.0)) species(name=u'C9H19CO', atoms='H:19 C:10 O:1', thermo=(NASA([300.00, 1000.00], [ 1.34967121E+00, 1.10157703E-01, -6.98818902E-05, 2.27536573E-08, -3.04713233E-12, -2.59174459E+04, 3.27299115E+01]), NASA([1000.00, 5000.00], [ 1.00359267E+01, 8.23791474E-02, -3.73364132E-05, 6.25334806E-09, 0.00000000E+00, -2.80472651E+04, -1.10284787E+01])), transport=gas_transport(geom='nonlinear', diam=6.49, well_depth=658.9, polar=17.36, rot_relax=1.0)) species(name=u'C10OOH1-3', atoms='H:21 C:10 O:2', thermo=(NASA([300.00, 1000.00], [ 1.83949294E+00, 1.19778456E-01, -7.32652772E-05, 2.16085931E-08, -2.37903356E-12, -2.27199537E+04, 3.53325213E+01]), NASA([1000.00, 5000.00], [ 1.08912646E+01, 9.21587253E-02, -4.28020971E-05, 7.33433852E-09, 0.00000000E+00, -2.50234964E+04, -1.06434348E+01])), transport=gas_transport(geom='nonlinear', diam=6.69, well_depth=704.92, polar=19.1, rot_relax=1.0)) species(name=u'C10OOH1-3O2', atoms='H:21 C:10 O:4', thermo=(NASA([300.00, 1000.00], [ 3.41788796E+00, 1.29787739E-01, -8.15714362E-05, 2.46836667E-08, -2.82908768E-12, -4.24909133E+04, 2.93548682E+01]), NASA([1000.00, 5000.00], [ 1.35962402E+01, 9.84756042E-02, -4.66531356E-05, 8.07006102E-09, 0.00000000E+00, -4.50650478E+04, -2.22711171E+01])), transport=gas_transport(geom='nonlinear', diam=6.69, well_depth=704.92, polar=19.1, rot_relax=1.0)) species(name=u'C10KET1-3', atoms='H:20 C:10 O:3', thermo=(NASA([300.00, 1000.00], [ 2.46391376E+00, 1.26674939E-01, -8.73560933E-05, 3.15027754E-08, -4.71901834E-12, -5.78222605E+04, 3.00658641E+01]), NASA([1000.00, 5000.00], [ 1.50589946E+01, 8.59326337E-02, -3.89377069E-05, 6.51259509E-09, 0.00000000E+00, -6.08819094E+04, -3.32544545E+01])), transport=gas_transport(geom='nonlinear', diam=6.69, well_depth=704.92, polar=19.1, rot_relax=1.0)) species(name=u'C11H21', atoms='H:21 C:11', thermo=(NASA([300.00, 1000.00], [-1.86876824E+00, 1.22277313E-01, -7.62207424E-05, 2.33469987E-08, -2.75127319E-12, 2.60207749E+02, 4.96119693E+01]), NASA([1000.00, 5000.00], [ 7.93130514E+00, 9.20929558E-02, -4.25009749E-05, 7.26024186E-09, 0.00000000E+00, -2.21617494E+03, -8.56318487E-02])), transport=gas_transport(geom='nonlinear', diam=6.73, well_depth=748.55, polar=20.67, rot_relax=1.0)) species(name=u'C11H22-1', atoms='H:22 C:11', thermo=(NASA([300.00, 1000.00], [-2.69653994E+00, 1.31650370E-01, -8.77957172E-05, 3.01467965E-08, -4.22584486E-12, -2.17526343E+04, 4.99879917E+01]), NASA([1000.00, 5000.00], [ 9.80908625E+00, 9.19614059E-02, -4.17088226E-05, 7.01739503E-09, 0.00000000E+00, -2.48388952E+04, -1.30989575E+01])), transport=gas_transport(geom='nonlinear', diam=6.73, well_depth=748.55, polar=20.67, rot_relax=1.0)) species(name=u'C11H23-1', atoms='H:23 C:11', thermo=(NASA([300.00, 1000.00], [-1.58230042E+00, 1.30323530E-01, -8.35408417E-05, 2.72125730E-08, -3.57529580E-12, -1.25713075E+04, 4.64373071E+01]), NASA([1000.00, 5000.00], [ 9.54130505E+00, 9.53107871E-02, -4.33108765E-05, 7.29644944E-09, 0.00000000E+00, -1.53345582E+04, -9.75919312E+00])), transport=gas_transport(geom='nonlinear', diam=6.8, well_depth=754.2, polar=21.03, rot_relax=1.0)) species(name=u'C11H23O2-1', atoms='H:23 C:11 O:2', thermo=(NASA([300.00, 1000.00], [ 1.72963510E+00, 1.30917263E-01, -8.20256918E-05, 2.64126748E-08, -3.51787621E-12, -3.21123329E+04, 3.49141206E+01]), NASA([1000.00, 5000.00], [ 1.15051999E+01, 9.94942916E-02, -4.49885671E-05, 7.50508053E-09, 0.00000000E+00, -3.44987969E+04, -1.42856172E+01])), transport=gas_transport(geom='nonlinear', diam=6.8, well_depth=754.2, polar=21.03, rot_relax=1.0)) species(name=u'C12H23', atoms='H:23 C:12', thermo=(NASA([300.00, 1000.00], [-2.11314538E+00, 1.34620184E-01, -8.46497174E-05, 2.63093386E-08, -3.17345456E-12, -2.62784580E+03, 5.24144232E+01]), NASA([1000.00, 5000.00], [ 8.98672959E+00, 1.00339497E-01, -4.62145144E-05, 7.88149275E-09, 0.00000000E+00, -5.42684121E+03, -3.84845990E+00])), transport=gas_transport(geom='nonlinear', diam=6.93, well_depth=787.05, polar=22.52, rot_relax=1.0)) species(name=u'C12H24', atoms='H:24 C:12', thermo=(NASA([300.00, 1000.00], [-2.43874931E+00, 1.40512846E-01, -9.10032977E-05, 3.00308587E-08, -4.00790141E-12, -2.61556835E+04, 5.07457348E+01]), NASA([1000.00, 5000.00], [ 9.89916240E+00, 1.01613270E-01, -4.62099791E-05, 7.79130314E-09, 0.00000000E+00, -2.92166047E+04, -1.15674133E+01])), transport=gas_transport(geom='nonlinear', diam=6.93, well_depth=787.05, polar=22.52, rot_relax=1.0)) species(name=u'C12H25', atoms='H:25 C:12', thermo=(NASA([300.00, 1000.00], [-1.85028741E+00, 1.42670708E-01, -9.18916555E-05, 3.00883392E-08, -3.97454300E-12, -1.54530435E+04, 4.93702421E+01]), NASA([1000.00, 5000.00], [ 1.05038381E+01, 1.03781439E-01, -4.72009520E-05, 7.95823570E-09, 0.00000000E+00, -1.85218187E+04, -1.30420516E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12H25O', atoms='H:25 C:12 O:1', thermo=(NASA([300.00, 1000.00], [-1.27096470E+00, 1.46874543E-01, -9.55240174E-05, 3.20177188E-08, -4.42534407E-12, -3.23115525E+04, 4.78652888E+01]), NASA([1000.00, 5000.00], [ 1.12263329E+01, 1.06850388E-01, -4.85422571E-05, 8.13747135E-09, 0.00000000E+00, -3.53723666E+04, -1.50759641E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12H25O2', atoms='H:25 C:12 O:2', thermo=(NASA([300.00, 1000.00], [ 1.58304260E+00, 1.42768096E-01, -8.97641809E-05, 2.90200208E-08, -3.87985556E-12, -3.50130986E+04, 3.72784659E+01]), NASA([1000.00, 5000.00], [ 1.23894782E+01, 1.08048928E-01, -4.88652961E-05, 8.15401282E-09, 0.00000000E+00, -3.76523809E+04, -1.71146487E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12O-R4', atoms='H:24 C:12 O:1', thermo=(NASA([300.00, 1000.00], [-5.95564145E+00, 1.58032278E-01, -1.09347433E-04, 3.92876841E-08, -5.82910354E-12, -3.85695550E+04, 6.70371125E+01]), NASA([1000.00, 5000.00], [ 1.00001197E+01, 1.06668508E-01, -4.86580735E-05, 8.17722961E-09, 0.00000000E+00, -4.24614249E+04, -1.32494153E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12O-R5', atoms='H:24 C:12 O:1', thermo=(NASA([300.00, 1000.00], [-9.72414456E+00, 1.72660400E-01, -1.28073902E-04, 4.98189095E-08, -8.02147784E-12, -5.02302986E+04, 8.35520700E+01]), NASA([1000.00, 5000.00], [ 1.04398209E+01, 1.06691164E-01, -4.86058492E-05, 8.13464906E-09, 0.00000000E+00, -5.50822276E+04, -1.76110757E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12OOH-T6', atoms='H:25 C:12 O:2', thermo=(NASA([300.00, 1000.00], [ 1.42078475E+00, 1.44039473E-01, -8.95663728E-05, 2.73266131E-08, -3.21225523E-12, -2.85025839E+04, 4.06420206E+01]), NASA([1000.00, 5000.00], [ 1.27466803E+01, 1.09092599E-01, -5.04380562E-05, 8.60701975E-09, 0.00000000E+00, -3.13603674E+04, -1.67749779E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12OOH-T7', atoms='H:25 C:12 O:2', thermo=(NASA([300.00, 1000.00], [ 1.42078475E+00, 1.44039473E-01, -8.95663728E-05, 2.73266131E-08, -3.21225523E-12, -2.85025839E+04, 4.06420206E+01]), NASA([1000.00, 5000.00], [ 1.27466803E+01, 1.09092599E-01, -5.04380562E-05, 8.60701975E-09, 0.00000000E+00, -3.13603674E+04, -1.67749779E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12OOH-T5', atoms='H:25 C:12 O:2', thermo=(NASA([300.00, 1000.00], [ 1.42078475E+00, 1.44039473E-01, -8.95663728E-05, 2.73266131E-08, -3.21225523E-12, -2.85025839E+04, 4.06420206E+01]), NASA([1000.00, 5000.00], [ 1.27466803E+01, 1.09092599E-01, -5.04380562E-05, 8.60701975E-09, 0.00000000E+00, -3.13603674E+04, -1.67749779E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12OOHO2-T6', atoms='H:25 C:12 O:4', thermo=(NASA([300.00, 1000.00], [ 3.14841764E+00, 1.53204599E-01, -9.64230273E-05, 2.94570879E-08, -3.45152229E-12, -4.82915577E+04, 3.40092586E+01]), NASA([1000.00, 5000.00], [ 1.51871349E+01, 1.15993054E-01, -5.46645659E-05, 9.41993241E-09, 0.00000000E+00, -5.13250050E+04, -2.70027681E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12OOHO2-T7', atoms='H:25 C:12 O:4', thermo=(NASA([300.00, 1000.00], [ 3.14841764E+00, 1.53204599E-01, -9.64230273E-05, 2.94570879E-08, -3.45152229E-12, -4.82915577E+04, 3.40092586E+01]), NASA([1000.00, 5000.00], [ 1.51871349E+01, 1.15993054E-01, -5.46645659E-05, 9.41993241E-09, 0.00000000E+00, -5.13250050E+04, -2.70027681E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12KET-T6', atoms='H:24 C:12 O:3', thermo=(NASA([300.00, 1000.00], [ 2.09319905E+00, 1.50718255E-01, -1.03321455E-04, 3.70082886E-08, -5.50513600E-12, -6.36120922E+04, 3.51536853E+01]), NASA([1000.00, 5000.00], [ 1.68711079E+01, 1.02964968E-01, -4.66434716E-05, 7.80054730E-09, 0.00000000E+00, -6.72051106E+04, -3.91545673E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'C12KET-T7', atoms='H:24 C:12 O:3', thermo=(NASA([300.00, 1000.00], [ 2.09319905E+00, 1.50718255E-01, -1.03321455E-04, 3.70082886E-08, -5.50513600E-12, -6.36120922E+04, 3.51536853E+01]), NASA([1000.00, 5000.00], [ 1.68711079E+01, 1.02964968E-01, -4.66434716E-05, 7.80054730E-09, 0.00000000E+00, -6.72051106E+04, -3.91545673E+01])), transport=gas_transport(geom='nonlinear', diam=7.06, well_depth=789.16, polar=22.75, rot_relax=1.0)) species(name=u'N-C9H19CHO', atoms='H:20 C:10 O:1', thermo=(NASA([300.00, 1000.00], [ 5.82223288E-01, 1.14923056E-01, -7.28776082E-05, 2.37836995E-08, -3.20081970E-12, -4.44466420E+04, 3.52424199E+01]), NASA([1000.00, 5000.00], [ 9.63533505E+00, 8.59291478E-02, -3.88483074E-05, 6.49437542E-09, 0.00000000E+00, -4.66637329E+04, -1.03520998E+01])), transport=gas_transport(geom='nonlinear', diam=6.49, well_depth=658.9, polar=17.36, rot_relax=1.0)) species(name=u'C4H8-2', atoms='H:8 C:4', thermo=(NASA([300.00, 1000.00], [ 6.69213599E-01, 3.76839941E-02, -1.85689683E-05, 3.69571062E-09, -1.03095209E-13, -3.11675402E+03, 2.14868169E+01]), NASA([1000.00, 5000.00], [ 1.76408490E+00, 3.46225159E-02, -1.56275307E-05, 2.61778465E-09, 0.00000000E+00, -3.41250300E+03, 1.58480081E+01])), transport=gas_transport(geom='nonlinear', diam=5.274, well_depth=302.4, rot_relax=1.0)) species(name=u'C2H5O2H', atoms='H:6 C:2 O:2', thermo=(NASA([300.00, 1000.00], [ 1.57329011E+00, 3.52379996E-02, -2.53203993E-05, 9.56802476E-09, -1.48167375E-12, -2.15278368E+04, 1.90472032E+01]), NASA([1000.00, 5000.00], [ 5.70203347E+00, 2.20031800E-02, -9.75531641E-06, 1.62734437E-09, 0.00000000E+00, -2.25386960E+04, -1.74439233E+00])), transport=gas_transport(geom='nonlinear', diam=4.41, well_depth=470.6, rot_relax=1.5)) species(name=u'CH3CHCO', atoms='H:4 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 1.48380119E+00, 3.22203013E-02, -2.70250033E-05, 1.20499164E-08, -2.18365931E-12, -1.15276540E+04, 1.71552068E+01]), NASA([1000.00, 5000.00], [ 6.45951145E+00, 1.56117000E-02, -6.55127220E-06, 1.02541702E-09, 0.00000000E+00, -1.27042477E+04, -7.71512800E+00])), transport=gas_transport(geom='nonlinear', diam=4.12, well_depth=443.2, rot_relax=1.0)) species(name=u'CH3CHCHO', atoms='H:5 C:3 O:1', thermo=(NASA([300.00, 1000.00], [-2.72811212E+00, 3.80354483E-02, -1.96782132E-05, 5.09554570E-09, -7.28789092E-13, -3.51122739E+03, 4.04496677E+01]), NASA([1000.00, 5000.00], [-6.07685240E+00, 4.51664595E-02, -2.31652257E-05, 4.07149816E-09, 0.00000000E+00, -2.45540115E+03, 5.83535930E+01])), transport=gas_transport(geom='nonlinear', diam=4.687, well_depth=387.86)) species(name=u'HE', atoms='He: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, 9.15348800E-01]), NASA([1000.00, 5000.00], [ 2.50000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, 0.00000000E+00, -7.45375000E+02, 9.15348900E-01])), transport=gas_transport(geom='atom', diam=2.576, well_depth=10.2), note=u'120186') species(name=u'CDCCDCCJ', atoms='H:7 C:5', thermo=(NASA([300.00, 1000.00], [-1.95534763E+00, 5.58644649E-02, -4.32573342E-05, 1.75877736E-08, -2.96850177E-12, 2.31644590E+04, 3.51104649E+01]), NASA([1000.00, 5000.00], [ 4.80575518E+00, 3.32844237E-02, -1.54120585E-05, 2.59293449E-09, 0.00000000E+00, 2.15666276E+04, 1.31997887E+00])), transport=gas_transport(geom='nonlinear', diam=5.397, well_depth=407.3, dipole=0.7, rot_relax=1.0)) species(name=u'S-C2H4OH', atoms='H:5 C:2 O:1', thermo=(NASA([300.00, 1000.00], [ 1.91496477E+00, 2.45693145E-02, -1.63075399E-05, 6.12282361E-09, -1.00784363E-12, -8.62161551E+03, 1.65987309E+01]), NASA([1000.00, 5000.00], [ 4.06087749E+00, 1.72821938E-02, -7.16319293E-06, 1.11184104E-09, 0.00000000E+00, -9.12090659E+03, 5.90860487E+00])), transport=gas_transport(geom='nonlinear', diam=4.41, well_depth=470.6, rot_relax=1.5)) species(name=u'C2H4O2H', atoms='H:5 C:2 O:2', thermo=(NASA([300.00, 1000.00], [ 3.40977031E+00, 2.65939711E-02, -1.57408161E-05, 4.41132564E-09, -4.49209001E-13, 2.05874655E+03, 1.35264941E+01]), NASA([1000.00, 5000.00], [ 5.13616373E+00, 2.13281200E-02, -9.93908510E-06, 1.69984335E-09, 0.00000000E+00, 1.61939714E+03, 4.75750168E+00])), transport=gas_transport(geom='nonlinear', diam=4.41, well_depth=470.6, rot_relax=1.5)) species(name=u'X15-C6H10', atoms='H:10 C:6', thermo=(NASA([300.00, 1000.00], [-1.80013527E+00, 6.71111879E-02, -4.84054490E-05, 1.84055726E-08, -2.89367813E-12, 8.10249521E+03, 3.72242052E+01]), NASA([1000.00, 5000.00], [ 5.86015741E+00, 4.23051074E-02, -1.88804879E-05, 3.13272120E-09, 0.00000000E+00, 6.24306631E+03, -1.28009109E+00])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'CH2CH2CHO', atoms='H:5 C:3 O:1', thermo=(NASA([300.00, 1000.00], [ 2.95202753E+00, 2.48297051E-02, -1.23487153E-05, 2.49449869E-09, -8.44820689E-14, 3.85181944E+02, 1.53181388E+01]), NASA([1000.00, 5000.00], [ 3.54959319E+00, 2.31098690E-02, -1.06172581E-05, 1.80082981E-09, 0.00000000E+00, 2.26902716E+02, 1.22545113E+01])), transport=gas_transport(geom='nonlinear', diam=4.82, well_depth=424.6, rot_relax=1.0)) species(name=u'CH3CHOCHO', atoms='H:5 C:3 O:2', thermo=(NASA([300.00, 1000.00], [ 5.06096897E-01, 4.26121702E-02, -3.37628379E-05, 1.39422914E-08, -2.35317319E-12, -1.74952136E+04, 2.58742916E+01]), NASA([1000.00, 5000.00], [ 6.31075031E+00, 2.35566729E-02, -1.07126303E-05, 1.78975451E-09, 0.00000000E+00, -1.88880213E+04, -3.22988781E+00])), transport=gas_transport(geom='nonlinear', diam=5.117, well_depth=427.0, dipole=2.0, rot_relax=1.0)) species(name=u'I-C5H8', atoms='H:8 C:5', thermo=(NASA([300.00, 1000.00], [-1.11131238E+00, 5.91227821E-02, -4.93559208E-05, 2.20613521E-08, -4.02420818E-12, 7.14669188E+03, 2.85722066E+01]), NASA([1000.00, 5000.00], [ 7.82035777E+00, 2.91342424E-02, -1.21496437E-05, 1.88773633E-09, 0.00000000E+00, 5.04576151E+03, -1.60216973E+01])), transport=gas_transport(geom='nonlinear', diam=5.419, well_depth=396.5, dipole=0.3, rot_relax=1.0)) species(name=u'C2H3CHOCH2', atoms='H:6 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 7.97985440E-01, 3.44034320E-02, -1.24598510E-05, -5.18062790E-18, 1.99359540E-21, -6.48927540E+02, 2.18896980E+01]), NASA([1000.00, 5000.00], [-4.72093360E+00, 3.91413780E-02, -6.52872650E-06, -7.68209500E-09, 2.51473310E-12, 1.75352252E+03, 5.17190420E+01])), transport=gas_transport(geom='nonlinear', diam=5.413, well_depth=454.0, dipole=3.3, rot_relax=1.0)) species(name=u'CC5H9A', atoms='H:9 C:5', thermo=(NASA([300.00, 1000.00], [-1.05084059E+00, 5.61469987E-02, -3.95783698E-05, 1.49122501E-08, -2.36114833E-12, 1.92613631E+04, 3.30330899E+01]), NASA([1000.00, 5000.00], [ 4.81050210E+00, 3.69132341E-02, -1.63337204E-05, 2.67887427E-09, 0.00000000E+00, 1.78548005E+04, 3.64331371E+00])), transport=gas_transport(geom='nonlinear', diam=5.419, well_depth=396.5, dipole=0.3, rot_relax=1.0)) species(name=u'CJDCCDCDO', atoms='H:3 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 1.46891560E+00, 4.57117267E-02, -5.03333351E-05, 2.66604935E-08, -5.36154380E-12, 2.85841219E+04, 1.71604226E+01]), NASA([1000.00, 5000.00], [ 1.27043929E+01, 7.52487508E-03, -2.30451997E-06, 2.21508888E-10, 0.00000000E+00, 2.59699028E+04, -3.88064521E+01])), transport=gas_transport(geom='nonlinear', diam=5.009, well_depth=464.2, dipole=2.6, rot_relax=1.0)) species(name=u'CDCCDCDO', atoms='H:4 C:4 O:1', thermo=(NASA([300.00, 1000.00], [-1.74329010E-01, 4.99882693E-02, -5.08353583E-05, 2.57383902E-08, -5.04416081E-12, -8.53247629E+02, 2.43466973E+01]), NASA([1000.00, 5000.00], [ 1.06577517E+01, 1.33732261E-02, -5.05735308E-06, 6.99186707E-10, 0.00000000E+00, -3.38617306E+03, -2.96672636E+01])), transport=gas_transport(geom='nonlinear', diam=5.009, well_depth=464.2, dipole=2.6, rot_relax=1.0)) species(name=u'C2H3CHCHO', atoms='H:5 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 1.44549897E-01, 4.40495223E-02, -3.63262463E-05, 1.57451928E-08, -2.78406786E-12, 1.23431520E+03, 2.91294645E+01]), NASA([1000.00, 5000.00], [ 6.57071278E+00, 2.26589441E-02, -1.00395106E-05, 1.63880462E-09, 0.00000000E+00, -2.89020319E+02, -3.00757327E+00])), transport=gas_transport(geom='nonlinear', diam=5.009, well_depth=464.2, dipole=2.6, rot_relax=1.0)) species(name=u'S-C3H5CO', atoms='H:5 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 1.74191343E+00, 3.97229536E-02, -3.20061901E-05, 1.38227925E-08, -2.46272017E-12, -6.64428100E+02, 1.70762023E+01]), NASA([1000.00, 5000.00], [ 7.20127311E+00, 2.13843584E-02, -9.24435862E-06, 1.47747635E-09, 0.00000000E+00, -1.94798235E+03, -1.01786136E+01])), transport=gas_transport(geom='nonlinear', diam=5.009, well_depth=464.2, dipole=2.6, rot_relax=1.0)) species(name=u'C4H6O23', atoms='H:6 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 2.67053463E+00, 4.92586420E-03, 8.86967406E-05, -1.26219194E-07, 5.23991321E-11, -1.02787872E+04, 1.45722395E+01]), NASA([1000.00, 5000.00], [ 8.60658242E+00, 2.08310051E-02, -8.42229481E-06, 1.56717640E-09, -1.09391202E-13, -1.32392815E+04, -2.32464750E+01])), transport=gas_transport(geom='nonlinear', diam=4.984, well_depth=350.4, rot_relax=1.0)) species(name=u'S-C3H5CHO', atoms='H:6 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 4.35795171E-01, 4.48719314E-02, -3.36582931E-05, 1.33066870E-08, -2.17839128E-12, -1.60394651E+04, 2.37597452E+01]), NASA([1000.00, 5000.00], [ 5.81582809E+00, 2.72091567E-02, -1.22944512E-05, 2.04719561E-09, 0.00000000E+00, -1.73301967E+04, -3.21478587E+00])), transport=gas_transport(geom='nonlinear', diam=5.009, well_depth=464.2, dipole=2.6, rot_relax=1.0)) species(name=u'C3H6CHO-1', atoms='H:7 C:4 O:1', thermo=(NASA([300.00, 1000.00], [ 2.67672303E+00, 3.73064128E-02, -2.11281405E-05, 5.80472681E-09, -6.09688236E-13, -2.49714183E+03, 1.75750933E+01]), NASA([1000.00, 5000.00], [ 4.58384514E+00, 3.12925271E-02, -1.42120472E-05, 2.38570886E-09, 0.00000000E+00, -2.96986868E+03, 7.94425013E+00])), transport=gas_transport(geom='nonlinear', diam=5.009, well_depth=464.2, dipole=2.6, rot_relax=1.0)) species(name=u'CPDOOH', atoms='H:6 C:5 O:2', thermo=(NASA([300.00, 1000.00], [-4.18453798E+00, 7.77836558E-02, -7.18699521E-05, 3.31691427E-08, -6.04024361E-12, 1.65907623E+03, 4.62765275E+01]), NASA([1000.00, 5000.00], [ 1.01187938E+01, 3.04604380E-02, -1.40932680E-05, 2.37210111E-09, 0.00000000E+00, -1.75032961E+03, -2.53368924E+01])), transport=gas_transport(geom='nonlinear', diam=5.616, well_depth=442.5, rot_relax=1.0)) species(name=u'CDCCJCDC', atoms='H:7 C:5', thermo=(NASA([300.00, 1000.00], [-3.09633318E+00, 5.77446981E-02, -4.48246625E-05, 1.81069620E-08, -3.00618556E-12, 2.35345666E+04, 4.04767446E+01]), NASA([1000.00, 5000.00], [ 4.25731688E+00, 3.35589376E-02, -1.55079061E-05, 2.61613050E-09, 0.00000000E+00, 2.17730154E+04, 3.61897601E+00])), transport=gas_transport(geom='nonlinear', diam=5.437, well_depth=386.8, dipole=0.4, rot_relax=1.0)) species(name=u'I-C5H7', atoms='H:7 C:5', thermo=(NASA([300.00, 1000.00], [-1.82047180E+00, 6.23666861E-02, -5.70043365E-05, 2.70549484E-08, -5.12803510E-12, 2.54402649E+04, 3.10577950E+01]), NASA([1000.00, 5000.00], [ 9.10276815E+00, 2.53608727E-02, -1.06343944E-05, 1.63954466E-09, 0.00000000E+00, 2.28915282E+04, -2.33866386E+01])), transport=gas_transport(geom='nonlinear', diam=5.419, well_depth=396.5, dipole=0.3, rot_relax=1.0)) species(name=u'IC5H6OJ', atoms='H:7 C:5 O:1', thermo=(NASA([300.00, 1000.00], [-2.99022598E-01, 6.07572569E-02, -5.21388178E-05, 2.32849043E-08, -4.17971999E-12, 1.56613495E+04, 2.74954925E+01]), NASA([1000.00, 5000.00], [ 9.60656456E+00, 2.79822590E-02, -1.21258635E-05, 1.96164076E-09, 0.00000000E+00, 1.33004817E+04, -2.20985342E+01])), transport=gas_transport(geom='nonlinear', diam=5.664, well_depth=523.2, dipole=1.7, rot_relax=1.0)) species(name=u'AC5H9D', atoms='H:9 C:5', thermo=(NASA([300.00, 1000.00], [ 5.16043332E-01, 5.06942079E-02, -3.28148436E-05, 1.12295970E-08, -1.62046694E-12, 1.82137239E+04, 2.65690184E+01]), NASA([1000.00, 5000.00], [ 4.75190920E+00, 3.69251949E-02, -1.63639482E-05, 2.69138183E-09, 0.00000000E+00, 1.71891932E+04, 5.29321388E+00])), transport=gas_transport(geom='nonlinear', diam=5.419, well_depth=396.5, dipole=0.3, rot_relax=1.0)) species(name=u'CPDJONE', atoms='H:3 C:5 O:1', thermo=(NASA([300.00, 1000.00], [-2.97900157E+00, 5.40428052E-02, -4.87013197E-05, 2.18001279E-08, -3.86113970E-12, 3.35757242E+04, 3.76713392E+01]), NASA([1000.00, 5000.00], [ 6.49098405E+00, 2.29399371E-02, -1.10444006E-05, 1.91495160E-09, 0.00000000E+00, 3.13039324E+04, -9.80748818E+00])), transport=gas_transport(geom='nonlinear', diam=5.616, well_depth=442.5, rot_relax=1.0)) species(name=u'CY-C5H4OH', atoms='H:5 C:5 O:1', thermo=(NASA([300.00, 1000.00], [-5.73477597E+00, 7.32209786E-02, -6.98649600E-05, 3.24462652E-08, -5.84437946E-12, 7.50649045E+03, 5.15348696E+01]), NASA([1000.00, 5000.00], [ 9.15329291E+00, 2.47148886E-02, -1.16726071E-05, 2.02755402E-09, 0.00000000E+00, 3.90981753E+03, -2.32198777E+01])), transport=gas_transport(geom='nonlinear', diam=5.5, well_depth=450.0, rot_relax=1.0)) species(name=u'C3H6COCH3-1', atoms='H:9 C:5 O:1', thermo=(NASA([300.00, 1000.00], [ 2.00033269E+00, 4.96074565E-02, -2.87470600E-05, 8.26666830E-09, -9.51074212E-13, -9.01010845E+03, 2.22761791E+01]), NASA([1000.00, 5000.00], [ 4.68377710E+00, 4.09916358E-02, -1.86146777E-05, 3.11558802E-09, 0.00000000E+00, -9.66554807E+03, 8.76848953E+00])), transport=gas_transport(geom='nonlinear', diam=5.348, well_depth=489.084)) species(name=u'C4H8CHO-1', atoms='H:9 C:5 O:1', thermo=(NASA([300.00, 1000.00], [ 2.41842832E+00, 4.96272127E-02, -2.94995966E-05, 8.76068653E-09, -1.04084476E-12, -5.38055616E+03, 2.04609422E+01]), NASA([1000.00, 5000.00], [ 5.51934200E+00, 3.97784043E-02, -1.80638761E-05, 3.03201597E-09, 0.00000000E+00, -6.14497379E+03, 4.82088318E+00])), transport=gas_transport(geom='nonlinear', diam=5.778, well_depth=476.0, dipole=2.6, rot_relax=1.0)) species(name=u'CY-C6H7', atoms='H:7 C:6', thermo=(NASA([300.00, 1000.00], [-6.01550859E+00, 6.95380134E-02, -5.43113522E-05, 2.16857946E-08, -3.50034432E-12, 2.42697461E+04, 5.27055540E+01]), NASA([1000.00, 5000.00], [ 3.42956704E+00, 3.90815746E-02, -1.82333572E-05, 3.11881842E-09, 0.00000000E+00, 2.19685667E+04, 5.19263021E+00])), transport=gas_transport(geom='nonlinear', diam=5.23, well_depth=468.5, rot_relax=1.0)) species(name=u'X13CYCHEX', atoms='H:8 C:6', thermo=(NASA([300.00, 1000.00], [ 1.72653190E+00, 1.48876120E-02, 9.48092300E-05, -1.40833940E-07, 5.88598730E-11, 1.10212970E+04, 1.91308860E+01]), NASA([1000.00, 5000.00], [ 1.17798700E+01, 2.55199800E-02, -9.26669470E-06, 1.50681220E-09, -9.06587010E-14, 6.54866860E+03, -4.16188050E+01])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'CYCHEXENE', atoms='H:10 C:6', thermo=(NASA([300.00, 1000.00], [ 2.36623780E+00, 1.06817120E-02, 1.18221120E-04, -1.65678540E-07, 6.76128020E-11, -2.48249730E+03, 1.67693570E+01]), NASA([1000.00, 5000.00], [ 1.17739040E+01, 3.09473600E-02, -1.12343300E-05, 1.82624940E-09, -1.09851190E-13, -7.20283760E+03, -4.26586880E+01])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'CYCC6H92', atoms='H:9 C:6', thermo=(NASA([300.00, 1000.00], [-6.54447777E+00, 7.24718451E-02, -4.73517030E-05, 1.47401538E-08, -1.72395154E-12, 2.13395501E+04, 5.65106673E+01]), NASA([1000.00, 5000.00], [-2.04923128E-01, 5.30472689E-02, -2.57972630E-05, 4.54678381E-09, 0.00000000E+00, 1.97310224E+04, 2.43327336E+01])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'CYCC6H91', atoms='H:9 C:6', thermo=(NASA([300.00, 1000.00], [-3.57143000E+00, 6.16960430E-02, -2.69288030E-05, 0.00000000E+00, 0.00000000E+00, 1.36570390E+04, 3.99862500E+01]), NASA([1000.00, 5000.00], [ 2.62958280E+01, 8.68288570E-03, -1.57703760E-06, 0.00000000E+00, 0.00000000E+00, 2.08635630E+03, -1.25738250E+02])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'X14CYCHEX', atoms='H:8 C:6', thermo=(NASA([300.00, 1000.00], [ 1.90182000E+00, 1.48193940E-02, 9.13121940E-05, -1.34589490E-07, 5.59079720E-11, 1.13167500E+04, 1.74071510E+01]), NASA([1000.00, 5000.00], [ 1.14539430E+01, 2.58611390E-02, -9.40079090E-06, 1.52967310E-09, -9.20766110E-14, 6.98496800E+03, -4.06348740E+01])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'X13C6H96', atoms='H:9 C:6', thermo=(NASA([300.00, 1000.00], [-1.61798535E+00, 6.85149260E-02, -5.62046013E-05, 2.46044354E-08, -4.41049569E-12, 2.93164427E+04, 3.62640516E+01]), NASA([1000.00, 5000.00], [ 8.35002219E+00, 3.51787359E-02, -1.50257480E-05, 2.38326898E-09, 0.00000000E+00, 2.69634383E+04, -1.35413101E+01])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'X15C6H93', atoms='H:9 C:6', thermo=(NASA([300.00, 1000.00], [-1.78372708E+00, 6.39458357E-02, -4.57501801E-05, 1.70813211E-08, -2.64091842E-12, 2.50769189E+04, 3.67447003E+01]), NASA([1000.00, 5000.00], [ 5.11204327E+00, 4.15507627E-02, -1.90064267E-05, 3.19595195E-09, 0.00000000E+00, 2.34072592E+04, 2.10182935E+00])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'X135', atoms='H:8 C:6', thermo=(NASA([300.00, 1000.00], [-3.07637680E+00, 7.60206382E-02, -7.12770299E-05, 3.45856886E-08, -6.64734786E-12, 1.80525340E+04, 3.76776224E+01]), NASA([1000.00, 5000.00], [ 1.10810354E+01, 2.80600605E-02, -1.11807633E-05, 1.64523959E-09, 0.00000000E+00, 1.47489644E+04, -3.28875594E+01])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'X13-C6H10', atoms='H:10 C:6', thermo=(NASA([300.00, 1000.00], [-2.39272228E+00, 7.30914238E-02, -5.87169405E-05, 2.52607896E-08, -4.47156104E-12, 4.70465566E+03, 3.77035396E+01]), NASA([1000.00, 5000.00], [ 7.81596490E+00, 3.90224280E-02, -1.67334494E-05, 2.66604608E-09, 0.00000000E+00, 2.29034302E+03, -1.33246320E+01])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'CYCHEXRAD', atoms='H:11 C:6', thermo=(NASA([300.00, 1000.00], [-3.76580647E+00, 5.88838077E-02, 1.22955158E-07, -3.30729397E-08, 1.42142299E-11, 6.76556720E+03, 4.36106643E+01]), NASA([1000.00, 5000.00], [ 1.28647309E+01, 3.52600147E-02, -1.39450525E-05, 2.51808759E-09, -1.70899213E-13, 6.15531214E+02, -4.88786148E+01])), transport=gas_transport(geom='nonlinear', diam=5.459, well_depth=463.6, dipole=0.6, rot_relax=1.0)) species(name=u'C6H11X', atoms='H:11 C:6', thermo=(NASA([300.00, 1000.00], [-1.68400759E+00, 6.82608096E-02, -4.55829418E-05, 1.56920477E-08, -2.21118204E-12, 9.68283708E+03, 3.57445494E+01]), NASA([1000.00, 5000.00], [ 4.77518674E+00, 4.77123435E-02, -2.16524106E-05, 3.63960622E-09, 0.00000000E+00, 8.09190602E+03, 3.17390110E+00])), transport=gas_transport(geom='nonlinear', diam=5.85, well_depth=423.4, polar=11.65, rot_relax=1.0), note=u'000000') species(name=u'CHX1O2J', atoms='H:9 C:6 O:1', thermo=(NASA([300.00, 1000.00], [-5.43207283E+00, 7.73912107E-02, -5.01990887E-05, 1.51751287E-08, -1.69331669E-12, -7.76725665E+03, 5.00817228E+01]), NASA([1000.00, 5000.00], [ 6.90672282E-01, 5.85779679E-02, -2.92475217E-05, 5.22074272E-09, 0.00000000E+00, -9.31730286E+03, 1.90195567E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHXO12', atoms='H:10 C:6 O:1', thermo=(NASA([300.00, 1000.00], [-1.02441734E+01, 9.47119743E-02, -6.62992744E-05, 2.18368996E-08, -2.69065692E-12, -1.59562249E+04, 7.00394602E+01]), NASA([1000.00, 5000.00], [-1.10415292E-01, 6.37937425E-02, -3.21734283E-05, 5.80487020E-09, 0.00000000E+00, -1.85362732E+04, 1.85645934E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHXCHO2OJ', atoms='H:11 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-7.50135838E+00, 1.00091236E-01, -6.76297937E-05, 2.14407379E-08, -2.51267044E-12, -2.36287150E+04, 6.39675965E+01]), NASA([1000.00, 5000.00], [ 2.25147129E+00, 7.04523455E-02, -3.50978313E-05, 6.28216589E-09, 0.00000000E+00, -2.61189780E+04, 1.43950349E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHX1O2O', atoms='H:8 C:6 O:2', thermo=(NASA([300.00, 1000.00], [-4.61537298E+00, 7.11203525E-02, -3.95578385E-05, 8.36691482E-09, -1.91661451E-13, -4.09386197E+04, 4.98667636E+01]), NASA([1000.00, 5000.00], [-1.47503039E+00, 6.25689756E-02, -3.16844509E-05, 5.71290015E-09, 0.00000000E+00, -4.18025650E+04, 3.36254849E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2O1OJ', atoms='H:11 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-7.38851153E+00, 9.97859133E-02, -6.60457774E-05, 1.97340216E-08, -2.01776307E-12, -2.74190816E+04, 6.15979192E+01]), NASA([1000.00, 5000.00], [ 1.92395106E+00, 7.21265845E-02, -3.66467445E-05, 6.66409183E-09, 0.00000000E+00, -2.98376276E+04, 1.40817214E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHX1O3O', atoms='H:8 C:6 O:2', thermo=(NASA([300.00, 1000.00], [-3.75901125E+00, 6.75320056E-02, -3.49427144E-05, 5.83594988E-09, 3.17908286E-13, -4.33855141E+04, 4.62863341E+01]), NASA([1000.00, 5000.00], [-1.72962208E+00, 6.27202629E-02, -3.17253048E-05, 5.71880211E-09, 0.00000000E+00, -4.39886332E+04, 3.55893746E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHOOJ-T6', atoms='H:11 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-7.54055086E+00, 1.00567139E-01, -6.96041618E-05, 2.33688318E-08, -3.06001958E-12, -2.75699373E+04, 6.36678664E+01]), NASA([1000.00, 5000.00], [ 2.49134526E+00, 6.92891628E-02, -3.40838781E-05, 6.03460866E-09, 0.00000000E+00, -3.00813880E+04, 1.29008869E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0), note=u'000000') species(name=u'MCHJDE', atoms='H:9 C:7', thermo=(NASA([300.00, 1000.00], [-6.86241952E+00, 8.45179423E-02, -6.48308695E-05, 2.54065851E-08, -4.05045492E-12, 2.49790265E+04, 5.52165735E+01]), NASA([1000.00, 5000.00], [ 3.83817364E+00, 4.98653210E-02, -2.35769514E-05, 4.05424026E-09, 0.00000000E+00, 2.23814332E+04, 1.42999146E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHDE', atoms='H:10 C:7', thermo=(NASA([300.00, 1000.00], [-6.79923802E+00, 8.76244231E-02, -6.78138163E-05, 2.71543632E-08, -4.43199555E-12, 7.98560864E+03, 5.59657522E+01]), NASA([1000.00, 5000.00], [ 4.74792121E+00, 5.01305219E-02, -2.30354961E-05, 3.89078938E-09, 0.00000000E+00, 5.18878760E+03, -2.04793116E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHJE', atoms='H:11 C:7', thermo=(NASA([300.00, 1000.00], [-6.41504518E+00, 8.48702528E-02, -5.73598328E-05, 1.93895519E-08, -2.63410119E-12, 1.13479217E+04, 5.29552537E+01]), NASA([1000.00, 5000.00], [ 1.50764972E+00, 5.97956559E-02, -2.83446225E-05, 4.89214239E-09, 0.00000000E+00, 9.38832062E+03, 1.29681525E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHE', atoms='H:12 C:7', thermo=(NASA([300.00, 1000.00], [-6.28055908E+00, 8.76219441E-02, -5.97803323E-05, 2.07727438E-08, -2.93202774E-12, -5.65527452E+03, 5.33820048E+01]), NASA([1000.00, 5000.00], [ 2.37099671E+00, 6.01516296E-02, -2.78623429E-05, 4.74148539E-09, 0.00000000E+00, -7.78959380E+03, 9.74124032E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'X13C7H116', atoms='H:11 C:7', thermo=(NASA([300.00, 1390.00], [-1.52730430E+00, 7.60888914E-02, -5.59037412E-05, 2.15578734E-08, -3.42470399E-12, 2.51408682E+04, 3.87599898E+01]), NASA([1390.00, 5000.00], [ 1.98780596E+01, 2.48140575E-02, -8.40261380E-06, 1.29628554E-09, -7.48920889E-14, 1.78309776E+04, -7.57562564E+01])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0), note=u'8/3/7therm') species(name=u'X135C7H10', atoms='H:10 C:7', thermo=(NASA([300.00, 1397.00], [-2.72225594E+00, 8.45484789E-02, -7.41261233E-05, 3.43240157E-08, -6.40902553E-12, 1.36327486E+04, 3.82634972E+01]), NASA([1397.00, 5000.00], [ 1.97965660E+01, 2.33518444E-02, -8.01796372E-06, 1.24784404E-09, -7.25139073E-14, 6.56266409E+03, -7.98105982E+01])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0), note=u'4/24/4therm') species(name=u'X15C7H114', atoms='H:11 C:7', thermo=(NASA([300.00, 1000.00], [-1.47612012E+00, 7.25656367E-02, -4.86153499E-05, 1.67653130E-08, -2.38020130E-12, 2.06671531E+04, 3.79719419E+01]), NASA([1000.00, 5000.00], [ 5.18285841E+00, 5.12105873E-02, -2.35019853E-05, 3.96781802E-09, 0.00000000E+00, 1.90379112E+04, 4.44249627E+00])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0)) species(name=u'X15C7H12', atoms='H:12 C:7', thermo=(NASA([300.00, 1391.00], [-1.44376432E+00, 7.55653920E-02, -5.10520954E-05, 1.79671492E-08, -2.60926005E-12, 3.68385075E+03, 3.89088184E+01]), NASA([1391.00, 5000.00], [ 1.95080005E+01, 2.77548671E-02, -9.42976753E-06, 1.45758739E-09, -8.43126160E-14, -3.72505753E+03, -7.40499105E+01])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0), note=u'4/23/4therm') species(name=u'CYCHEXCH2', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-7.31316535E+00, 9.61419602E-02, -6.75543148E-05, 2.42028067E-08, -3.52878596E-12, 4.62295954E+03, 5.86016810E+01]), NASA([1000.00, 5000.00], [ 2.80077068E+00, 6.38689444E-02, -2.98213052E-05, 5.10009100E-09, 0.00000000E+00, 2.13778331E+03, 7.62897246E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHXDCH2', atoms='H:12 C:7', thermo=(NASA([300.00, 1000.00], [-8.78091682E+00, 9.29268013E-02, -5.91790181E-05, 1.73250617E-08, -1.77258628E-12, -4.90305383E+03, 6.56452164E+01]), NASA([1000.00, 5000.00], [-1.04141030E+00, 6.97615861E-02, -3.42945210E-05, 6.09368700E-09, 0.00000000E+00, -6.90145870E+03, 2.62062110E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH1QX', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.86570953E+00, 1.08299341E-01, -7.55918686E-05, 2.56229977E-08, -3.39936890E-12, -9.19353435E+03, 6.09501336E+01]), NASA([1000.00, 5000.00], [ 4.08176590E+00, 7.40694853E-02, -3.65752145E-05, 6.48935504E-09, 0.00000000E+00, -1.19280964E+04, 5.57721974E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHXJ1CH2Q', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-3.48683591E+00, 8.74819153E-02, -4.45363639E-05, 7.11351411E-09, 5.19864335E-13, -8.40812430E+03, 4.91418513E+01]), NASA([1000.00, 5000.00], [-6.68943850E-01, 8.09335455E-02, -4.04131649E-05, 7.24065712E-09, 0.00000000E+00, -9.25404404E+03, 3.42508979E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2QJ1', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-4.40226660E+00, 9.32663869E-02, -5.32369471E-05, 1.23486759E-08, -5.98589764E-13, -1.05245344E+04, 5.19741278E+01]), NASA([1000.00, 5000.00], [ 6.73002327E-01, 7.89806505E-02, -3.92926914E-05, 7.01629785E-09, 0.00000000E+00, -1.18916438E+04, 2.58568325E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHQ-T5S', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.51610133E+00, 1.03793109E-01, -6.75460425E-05, 2.01125392E-08, -2.10057050E-12, -1.04919587E+04, 6.05086157E+01]), NASA([1000.00, 5000.00], [ 2.53387450E+00, 7.66680639E-02, -3.83453093E-05, 6.88630478E-09, 0.00000000E+00, -1.28265452E+04, 1.44018781E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0), note=u'000000') species(name=u'MCHR4', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-6.88013903E+00, 9.11808945E-02, -5.87542615E-05, 1.82388338E-08, -2.13977403E-12, 3.31407004E+03, 5.77907942E+01]), NASA([1000.00, 5000.00], [ 1.03089754E+00, 6.69583451E-02, -3.19024983E-05, 5.55880946E-09, 0.00000000E+00, 1.30577174E+03, 1.76316887E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHR3', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-6.88013903E+00, 9.11808945E-02, -5.87542615E-05, 1.82388338E-08, -2.13977403E-12, 3.31407004E+03, 5.77907942E+01]), NASA([1000.00, 5000.00], [ 1.03089754E+00, 6.69583451E-02, -3.19024983E-05, 5.55880946E-09, 0.00000000E+00, 1.30577174E+03, 1.76316887E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHR2', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-6.88013903E+00, 9.11808945E-02, -5.87542615E-05, 1.82388338E-08, -2.13977403E-12, 3.31407004E+03, 5.77907942E+01]), NASA([1000.00, 5000.00], [ 1.03089754E+00, 6.69583451E-02, -3.19024983E-05, 5.55880946E-09, 0.00000000E+00, 1.30577174E+03, 1.76316887E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHR1', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-4.07269869E+00, 7.90108793E-02, -4.28855256E-05, 9.76721472E-09, -5.10607716E-13, 1.91234526E+03, 4.51925495E+01]), NASA([1000.00, 5000.00], [-4.16628556E-01, 6.85697071E-02, -3.24607839E-05, 5.61696736E-09, 0.00000000E+00, 9.37387619E+02, 2.64218769E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'C7H12', atoms='H:12 C:7', thermo=(NASA([300.00, 1000.00], [-2.19753454E+00, 8.22344141E-02, -6.23503069E-05, 2.54097497E-08, -4.31163767E-12, 3.11069176E+02, 3.83433828E+01]), NASA([1000.00, 5000.00], [ 7.95958411E+00, 4.85560764E-02, -2.11533498E-05, 3.42237399E-09, 0.00000000E+00, -2.10468327E+03, -1.24884322E+01])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0), note=u'000000') species(name=u'AC7H13C', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-9.85040657E-01, 7.76868178E-02, -5.06248797E-05, 1.70538646E-08, -2.38473467E-12, 4.84477746E+03, 3.29638608E+01]), NASA([1000.00, 5000.00], [ 5.50401507E+00, 5.67580437E-02, -2.58497640E-05, 4.33373263E-09, 0.00000000E+00, 3.26482295E+03, 3.24128450E-01])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0)) species(name=u'AC7H13F', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-7.89883707E-02, 7.56581657E-02, -4.99321551E-05, 1.72414232E-08, -2.47548173E-12, 1.24590619E+04, 3.20127671E+01]), NASA([1000.00, 5000.00], [ 6.74599799E+00, 5.37082267E-02, -2.40317544E-05, 3.99049341E-09, 0.00000000E+00, 1.07932143E+04, -2.33472360E+00])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0)) species(name=u'CHXCH2OJ', atoms='H:13 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-8.27892315E+00, 9.96825158E-02, -6.28498508E-05, 1.81079517E-08, -1.79748950E-12, -1.18042312E+04, 6.57937650E+01]), NASA([1000.00, 5000.00], [-2.64809762E-01, 7.57544090E-02, -3.72384879E-05, 6.61309267E-09, 0.00000000E+00, -1.38771953E+04, 2.49389036E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHXCH2OO', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.50573719E+00, 1.00113945E-01, -6.30229660E-05, 1.85263761E-08, -1.98144719E-12, -1.30609052E+04, 6.07754548E+01]), NASA([1000.00, 5000.00], [ 1.06180719E+00, 7.70372211E-02, -3.75907041E-05, 6.62184654E-09, 0.00000000E+00, -1.49876653E+04, 2.23341179E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'EC7H13A', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-1.37027716E+00, 7.98095213E-02, -5.47529029E-05, 1.97898480E-08, -2.98365673E-12, 1.33415268E+04, 3.79123569E+01]), NASA([1000.00, 5000.00], [ 6.52844410E+00, 5.42167165E-02, -2.42798003E-05, 4.02717226E-09, 0.00000000E+00, 1.14254447E+04, -1.78551197E+00])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0)) species(name=u'GC7H13I', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-1.47261076E+00, 7.67984307E-02, -4.77116265E-05, 1.48345471E-08, -1.85199516E-12, 4.67083668E+03, 3.55434911E+01]), NASA([1000.00, 5000.00], [ 4.13141186E+00, 5.90584382E-02, -2.71917142E-05, 4.59860952E-09, 0.00000000E+00, 3.28542491E+03, 7.26129103E+00])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0)) species(name=u'GC7H13L', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-1.54565686E+00, 8.07549368E-02, -5.62650639E-05, 2.07289386E-08, -3.18615282E-12, 1.34892129E+04, 3.86890383E+01]), NASA([1000.00, 5000.00], [ 6.78603342E+00, 5.36980391E-02, -2.39601866E-05, 3.96311583E-09, 0.00000000E+00, 1.14719041E+04, -3.16771080E+00])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0)) species(name=u'KC7H13G', atoms='H:13 C:7', thermo=(NASA([300.00, 1000.00], [-1.37027716E+00, 7.98095213E-02, -5.47529029E-05, 1.97898480E-08, -2.98365673E-12, 1.33415268E+04, 3.86068713E+01]), NASA([1000.00, 5000.00], [ 6.52844410E+00, 5.42167165E-02, -2.42798003E-05, 4.02717226E-09, 0.00000000E+00, 1.14254447E+04, -1.09099757E+00])), transport=gas_transport(geom='nonlinear', diam=6.173, well_depth=457.8, dipole=0.3, rot_relax=1.0)) species(name=u'MCH1OO', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.65815575E+00, 1.03965200E-01, -6.98527424E-05, 2.29583019E-08, -2.97261014E-12, -1.65568323E+04, 5.92219776E+01]), NASA([1000.00, 5000.00], [ 2.71940360E+00, 7.45281862E-02, -3.61387828E-05, 6.33118656E-09, 0.00000000E+00, -1.88916145E+04, 1.18233457E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH1OJ', atoms='H:13 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-8.53575539E+00, 1.03943288E-01, -7.00338637E-05, 2.25219442E-08, -2.73638488E-12, -1.52840888E+04, 6.47288972E+01]), NASA([1000.00, 5000.00], [ 1.50664011E+00, 7.31764726E-02, -3.58910346E-05, 6.36715008E-09, 0.00000000E+00, -1.78325981E+04, 1.37547226E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2OJ', atoms='H:13 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-8.54954397E+00, 1.03015643E-01, -6.83825738E-05, 2.15745270E-08, -2.55205599E-12, -1.40286013E+04, 6.55571480E+01]), NASA([1000.00, 5000.00], [ 1.00268494E+00, 7.38270264E-02, -3.61099714E-05, 6.38625625E-09, 0.00000000E+00, -1.64573996E+04, 1.70497466E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2OO', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.82417761E+00, 1.03611740E-01, -6.86743010E-05, 2.19845246E-08, -2.72032601E-12, -1.52772798E+04, 6.07675141E+01]), NASA([1000.00, 5000.00], [ 2.30991979E+00, 7.52279052E-02, -3.65885975E-05, 6.42823255E-09, 0.00000000E+00, -1.75696865E+04, 1.45177368E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH3OO', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.82417761E+00, 1.03611740E-01, -6.86743010E-05, 2.19845246E-08, -2.72032601E-12, -1.52772798E+04, 6.07675141E+01]), NASA([1000.00, 5000.00], [ 2.30991979E+00, 7.52279052E-02, -3.65885975E-05, 6.42823255E-09, 0.00000000E+00, -1.75696865E+04, 1.45177368E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH3OJ', atoms='H:13 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-8.54954397E+00, 1.03015643E-01, -6.83825738E-05, 2.15745270E-08, -2.55205599E-12, -1.40286013E+04, 6.55571480E+01]), NASA([1000.00, 5000.00], [ 1.00268494E+00, 7.38270264E-02, -3.61099714E-05, 6.38625625E-09, 0.00000000E+00, -1.64573996E+04, 1.70497466E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH4OO', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.82417761E+00, 1.03611740E-01, -6.86743010E-05, 2.19845246E-08, -2.72032601E-12, -1.52772798E+04, 6.07675141E+01]), NASA([1000.00, 5000.00], [ 2.30991979E+00, 7.52279052E-02, -3.65885975E-05, 6.42823255E-09, 0.00000000E+00, -1.75696865E+04, 1.45177368E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH4OJ', atoms='H:13 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-8.54954397E+00, 1.03015643E-01, -6.83825738E-05, 2.15745270E-08, -2.55205599E-12, -1.40286013E+04, 6.55571480E+01]), NASA([1000.00, 5000.00], [ 1.00268494E+00, 7.38270264E-02, -3.61099714E-05, 6.38625625E-09, 0.00000000E+00, -1.64573996E+04, 1.70497466E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH-C7H14', atoms='H:14 C:7', thermo=(NASA([300.00, 1000.00], [-8.09426478E+00, 1.00736150E-01, -7.00859796E-05, 2.48687934E-08, -3.59166681E-12, -1.99875643E+04, 6.00729224E+01]), NASA([1000.00, 5000.00], [ 2.26480498E+00, 6.77157161E-02, -3.15306543E-05, 5.38316543E-09, 0.00000000E+00, -2.25351186E+04, 7.85506741E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'C7ENEJ-ONE', atoms='H:11 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-1.27873683E+00, 7.92900578E-02, -5.54565022E-05, 1.99568803E-08, -2.93938776E-12, -3.86868972E+03, 3.74847959E+01]), NASA([1000.00, 5000.00], [ 7.02917446E+00, 5.27099309E-02, -2.42805946E-05, 4.11380048E-09, 0.00000000E+00, -5.90561438E+03, -4.36586943E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CCXCDCCCCO', atoms='H:11 C:7 O:1', thermo=(NASA([300.00, 1000.00], [ 7.38435665E-02, 7.41135002E-02, -4.95348802E-05, 1.69282222E-08, -2.37168914E-12, -4.59175094E+03, 3.21108409E+01]), NASA([1000.00, 5000.00], [ 6.73458448E+00, 5.27704655E-02, -2.44593445E-05, 4.16329108E-09, 0.00000000E+00, -6.22259148E+03, -1.43260577E+00])), transport=gas_transport(geom='nonlinear', diam=6.317, well_depth=561.0, dipole=1.7, rot_relax=1.0)) species(name=u'MCHYO25', atoms='H:12 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-2.00348693E+01, 1.17568877E-01, -7.82220157E-05, 2.32762775E-08, -2.25095000E-12, -1.42929865E+04, 1.29599944E+02]), NASA([1000.00, 5000.00], [-7.46765211E+00, 8.10350555E-02, -4.06050742E-05, 7.37499033E-09, 0.00000000E+00, -1.76071416E+04, 6.52517255E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CCOCCCCCX', atoms='H:13 C:7 O:1', thermo=(NASA([300.00, 1000.00], [ 1.64314939E+00, 7.36923523E-02, -4.49211754E-05, 1.40058418E-08, -1.80818999E-12, -1.48044066E+04, 2.72818612E+01]), NASA([1000.00, 5000.00], [ 6.52716672E+00, 5.78999113E-02, -2.61801554E-05, 4.36505549E-09, 0.00000000E+00, -1.59906515E+04, 2.72774362E+00])), transport=gas_transport(geom='nonlinear', diam=6.317, well_depth=561.0, dipole=1.7, rot_relax=1.0)) species(name=u'CCXCCCCCO', atoms='H:13 C:7 O:1', thermo=(NASA([300.00, 1000.00], [ 2.51831473E+00, 6.82280050E-02, -3.51997630E-05, 6.85047489E-09, -1.96789714E-14, -1.24793541E+04, 2.46142158E+01]), NASA([1000.00, 5000.00], [ 5.34458589E+00, 6.07837677E-02, -2.87704229E-05, 5.01942197E-09, 0.00000000E+00, -1.32727925E+04, 9.92602476E+00])), transport=gas_transport(geom='nonlinear', diam=6.317, well_depth=561.0, dipole=1.7, rot_relax=1.0)) species(name=u'C7ENE-ONE', atoms='H:12 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-9.90850563E-01, 8.10710956E-02, -5.60496534E-05, 2.00835859E-08, -2.96328518E-12, -2.08882705E+04, 3.72562746E+01]), NASA([1000.00, 5000.00], [ 7.25152134E+00, 5.46184945E-02, -2.49082818E-05, 4.18915827E-09, 0.00000000E+00, -2.29038492E+04, -4.24077693E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHYO24', atoms='H:12 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-1.90165341E+01, 1.16819128E-01, -7.77567310E-05, 2.32733635E-08, -2.31453708E-12, -6.63076626E+03, 1.20321976E+02]), NASA([1000.00, 5000.00], [-6.87488722E+00, 8.12861774E-02, -4.08012334E-05, 7.39463253E-09, 0.00000000E+00, -9.81766172E+03, 5.82199285E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'C6H11CHO1', atoms='H:12 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-1.00767418E-02, 7.90959193E-02, -5.53856130E-05, 2.04342145E-08, -3.13919798E-12, -2.12100941E+04, 3.14347193E+01]), NASA([1000.00, 5000.00], [ 8.17209958E+00, 5.25118251E-02, -2.36247556E-05, 3.93607697E-09, 0.00000000E+00, -2.31904810E+04, -9.66750722E+00])), transport=gas_transport(geom='nonlinear', diam=5.873, well_depth=550.6, dipole=1.7, rot_relax=1.0)) species(name=u'IC6H12CHO', atoms='H:13 C:7 O:1', thermo=(NASA([300.00, 1000.00], [ 1.15457950E+00, 7.73093903E-02, -5.01438693E-05, 1.67275654E-08, -2.29277880E-12, -1.21564701E+04, 2.83909252E+01]), NASA([1000.00, 5000.00], [ 7.70111687E+00, 5.63896340E-02, -2.56511901E-05, 4.31532629E-09, 0.00000000E+00, -1.37628517E+04, -4.59331789E+00])), transport=gas_transport(geom='nonlinear', diam=6.099, well_depth=499.2, dipole=1.8, rot_relax=1.0), note=u'000000') species(name=u'CHXDO', atoms='H:10 C:6 O:1', thermo=(NASA([300.00, 1000.00], [-5.41298687E+00, 7.49581025E-02, -4.29010347E-05, 1.03686234E-08, -6.55858987E-13, -2.98390440E+04, 5.09982438E+01]), NASA([1000.00, 5000.00], [-1.51418416E+00, 6.36539995E-02, -3.13333778E-05, 5.55040783E-09, 0.00000000E+00, -3.08682987E+04, 3.10286505E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHO', atoms='H:12 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-5.71269441E+00, 7.29716718E-02, -3.76979931E-05, 8.59621205E-09, -5.48881128E-13, -1.75096485E+04, 4.89202464E+01]), NASA([1000.00, 5000.00], [-3.19935954E+00, 6.55705250E-02, -2.98868230E-05, 5.12397274E-09, 0.00000000E+00, -1.81678497E+04, 3.60744987E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2O4O', atoms='H:10 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.25788620E+00, 8.71758558E-02, -5.11289750E-05, 1.22812582E-08, -6.71511446E-13, -4.67547652E+04, 5.88192112E+01]), NASA([1000.00, 5000.00], [-9.64177929E-01, 7.22103138E-02, -3.64075045E-05, 6.56010990E-09, 0.00000000E+00, -4.81768746E+04, 3.15955482E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH3O5O', atoms='H:10 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-4.81554991E+00, 8.31542822E-02, -4.76509040E-05, 1.11582174E-08, -5.78642241E-13, -4.72711418E+04, 5.15599206E+01]), NASA([1000.00, 5000.00], [-4.18565688E-01, 7.06779134E-02, -3.53104768E-05, 6.31853254E-09, 0.00000000E+00, -4.84492246E+04, 2.89613526E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2OXOJ', atoms='H:11 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-7.51788197E+00, 9.80697390E-02, -6.46027074E-05, 1.96231933E-08, -2.12665602E-12, -2.53036251E+04, 6.50937668E+01]), NASA([1000.00, 5000.00], [ 1.32085577E+00, 7.14601328E-02, -3.57730521E-05, 6.43775050E-09, 0.00000000E+00, -2.75764153E+04, 2.00961917E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHXCH2OOH', atoms='H:14 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-7.48877793E+00, 1.09035752E-01, -7.13116774E-05, 2.18868640E-08, -2.48104180E-12, -3.03094104E+04, 6.39453725E+01]), NASA([1000.00, 5000.00], [ 1.89392951E+00, 8.04016709E-02, -3.97105958E-05, 7.05611421E-09, 0.00000000E+00, -3.26972921E+04, 1.62887887E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHXJ2CH2Q', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.53274749E+00, 1.00680402E-01, -6.17365890E-05, 1.62143881E-08, -1.18314421E-12, -6.97045672E+03, 6.28459372E+01]), NASA([1000.00, 5000.00], [ 1.33744879E+00, 7.81595717E-02, -3.91223730E-05, 7.06766191E-09, 0.00000000E+00, -9.06825714E+03, 2.24473923E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHYO23', atoms='H:12 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-1.68849732E+01, 1.13481019E-01, -7.53831778E-05, 2.30265938E-08, -2.48654348E-12, -3.78150449E+03, 1.09064449E+02]), NASA([1000.00, 5000.00], [-5.97133256E+00, 8.08546400E-02, -4.03847982E-05, 7.25440910E-09, 0.00000000E+00, -6.60234467E+03, 5.34386385E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHXYCO-2', atoms='H:12 C:7 O:1', thermo=(NASA([300.00, 1000.00], [-1.42359981E+01, 1.10344113E-01, -7.92324025E-05, 2.79731765E-08, -3.82918311E-12, -5.96714549E+03, 8.73973056E+01]), NASA([1000.00, 5000.00], [-7.65153542E-01, 6.88335004E-02, -3.27945279E-05, 5.74588682E-09, 0.00000000E+00, -9.37098949E+03, 1.90874841E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHXQ2QJ', atoms='H:13 C:7 O:4', thermo=(NASA([300.00, 1000.00], [-3.40891272E+00, 1.05467043E-01, -6.58697951E-05, 1.71255309E-08, -1.18446651E-12, -2.74759375E+04, 4.96139258E+01]), NASA([1000.00, 5000.00], [ 4.57693690E+00, 8.26375831E-02, -4.29839577E-05, 7.89883724E-09, 0.00000000E+00, -2.96058895E+04, 8.61562005E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH1OOH', atoms='H:14 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-7.63734806E+00, 1.12873638E-01, -7.81268181E-05, 2.63130662E-08, -3.47155867E-12, -3.38060090E+04, 6.23733535E+01]), NASA([1000.00, 5000.00], [ 3.55057914E+00, 7.78927953E-02, -3.82573557E-05, 6.76496059E-09, 0.00000000E+00, -3.66006210E+04, 5.78414735E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHQ-T7', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.51610133E+00, 1.03793109E-01, -6.75460425E-05, 2.01125392E-08, -2.10057050E-12, -1.04919587E+04, 6.05086157E+01]), NASA([1000.00, 5000.00], [ 2.53387450E+00, 7.66680639E-02, -3.83453093E-05, 6.88630478E-09, 0.00000000E+00, -1.28265452E+04, 1.44018781E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH1QJ3', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-6.51610133E+00, 1.03793109E-01, -6.75460425E-05, 2.01125392E-08, -2.10057050E-12, -1.04919587E+04, 6.05086157E+01]), NASA([1000.00, 5000.00], [ 2.53387450E+00, 7.66680639E-02, -3.83453093E-05, 6.88630478E-09, 0.00000000E+00, -1.28265452E+04, 1.44018781E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2OOH', atoms='H:14 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-7.07191742E+00, 1.08831682E-01, -7.21992050E-05, 2.25237384E-08, -2.58648384E-12, -3.30350053E+04, 6.04170296E+01]), NASA([1000.00, 5000.00], [ 3.12509081E+00, 7.79055345E-02, -3.83514508E-05, 6.81863968E-09, 0.00000000E+00, -3.56425466E+04, 8.56927452E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2QX', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-7.04841017E+00, 1.08011569E-01, -7.45053668E-05, 2.47015138E-08, -3.15763053E-12, -7.91121466E+03, 6.25747597E+01]), NASA([1000.00, 5000.00], [ 3.68172593E+00, 7.47493737E-02, -3.70137540E-05, 6.58432964E-09, 0.00000000E+00, -1.06096875E+04, 8.21964805E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHQ-T6', atoms='H:13 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-4.40226660E+00, 9.32663869E-02, -5.32369471E-05, 1.23486759E-08, -5.98589764E-13, -1.05245344E+04, 5.19741278E+01]), NASA([1000.00, 5000.00], [ 6.73002327E-01, 7.89806505E-02, -3.92926914E-05, 7.01629785E-09, 0.00000000E+00, -1.18916438E+04, 2.58568325E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0), note=u'000000') species(name=u'MCH2Q1QJ', atoms='H:13 C:7 O:4', thermo=(NASA([300.00, 1000.00], [-3.77935668E+00, 1.10718477E-01, -7.59325010E-05, 2.39586046E-08, -2.74881148E-12, -3.05373560E+04, 4.83042389E+01]), NASA([1000.00, 5000.00], [ 7.03829845E+00, 7.79145918E-02, -4.00288844E-05, 7.29240665E-09, 0.00000000E+00, -3.33041535E+04, -6.70120202E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2QXQJ', atoms='H:13 C:7 O:4', thermo=(NASA([300.00, 1000.00], [-3.40891272E+00, 1.05467043E-01, -6.58697951E-05, 1.71255309E-08, -1.18446651E-12, -2.74759375E+04, 4.96139258E+01]), NASA([1000.00, 5000.00], [ 4.57693690E+00, 8.26375831E-02, -4.29839577E-05, 7.89883724E-09, 0.00000000E+00, -2.96058895E+04, 8.61562005E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH3OOH', atoms='H:14 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-7.79693102E+00, 1.12487489E-01, -7.69042329E-05, 2.53168252E-08, -3.21531911E-12, -3.25272707E+04, 6.38901788E+01]), NASA([1000.00, 5000.00], [ 3.13416855E+00, 7.86011333E-02, -3.87095011E-05, 6.86203044E-09, 0.00000000E+00, -3.52761348E+04, 8.51757633E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHQQJ-T6', atoms='H:13 C:7 O:4', thermo=(NASA([300.00, 1000.00], [-4.23342371E+00, 1.10402406E-01, -7.35609590E-05, 2.18475735E-08, -2.20234682E-12, -2.91316898E+04, 5.17331597E+01]), NASA([1000.00, 5000.00], [ 5.83347132E+00, 8.04622296E-02, -4.16789445E-05, 7.63649352E-09, 0.00000000E+00, -3.17435342E+04, 3.79121528E-01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0), note=u'000000') species(name=u'MCH4OOH', atoms='H:14 C:7 O:2', thermo=(NASA([300.00, 1000.00], [-7.79693102E+00, 1.12487489E-01, -7.69042329E-05, 2.53168252E-08, -3.21531911E-12, -3.25272707E+04, 6.38901788E+01]), NASA([1000.00, 5000.00], [ 3.13416855E+00, 7.86011333E-02, -3.87095011E-05, 6.86203044E-09, 0.00000000E+00, -3.52761348E+04, 8.51757633E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'CHXCHO2Q', atoms='H:12 C:7 O:3', thermo=(NASA([300.00, 1000.00], [-6.88847924E+00, 1.10145944E-01, -7.69277409E-05, 2.55817956E-08, -3.24717659E-12, -4.21055251E+04, 6.22646332E+01]), NASA([1000.00, 5000.00], [ 4.47863671E+00, 7.50789199E-02, -3.76478639E-05, 6.75465021E-09, 0.00000000E+00, -4.49750703E+04, 4.63438461E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2O1Q', atoms='H:12 C:7 O:3', thermo=(NASA([300.00, 1000.00], [-6.45050885E+00, 1.08757055E-01, -7.45791477E-05, 2.40772544E-08, -2.92467801E-12, -4.59517392E+04, 5.83301700E+01]), NASA([1000.00, 5000.00], [ 4.07743320E+00, 7.64119301E-02, -3.85480460E-05, 6.93865758E-09, 0.00000000E+00, -4.86177724E+04, 4.91699289E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCH2OXQ', atoms='H:12 C:7 O:3', thermo=(NASA([300.00, 1000.00], [-6.54170542E+00, 1.06894765E-01, -7.29487186E-05, 2.38707119E-08, -3.01579203E-12, -4.38426443E+04, 6.16445658E+01]), NASA([1000.00, 5000.00], [ 3.47107030E+00, 7.57363371E-02, -3.76543979E-05, 6.70625135E-09, 0.00000000E+00, -4.63530229E+04, 1.09575679E+01])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0)) species(name=u'MCHQO-T6', atoms='H:12 C:7 O:3', thermo=(NASA([300.00, 1000.00], [-5.16752331E+00, 1.06394512E-01, -7.58901300E-05, 2.69876326E-08, -3.88431404E-12, -4.78686665E+04, 5.24334643E+01]), NASA([1000.00, 5000.00], [ 5.61833919E+00, 7.17790982E-02, -3.51325759E-05, 6.17531576E-09, 0.00000000E+00, -5.05064571E+04, -1.86963716E+00])), transport=gas_transport(geom='nonlinear', diam=5.916, well_depth=475.7, rot_relax=1.0), note=u'000000') #------------------------------------------------------------------------------- # Reaction data #------------------------------------------------------------------------------- # BURKE ET AL'S H2/O2 MECH # Reaction 1 reaction('H + O2 <=> O + OH', [1.040000e+14, 0.0, 15286.09]) # Reaction 2 reaction('O + H2 <=> H + OH', [3.818000e+12, 0.0, 7947.9], options='duplicate') # Reaction 3 reaction('O + H2 <=> H + OH', [8.792000e+14, 0.0, 19169.93], options='duplicate') # Reaction 4 reaction('H2 + OH <=> H2O + H', [2.160000e+08, 1.51, 3429.97]) # Reaction 5 reaction('2 OH <=> O + H2O', [3.340000e+04, 2.42, -1929.97]) # Reaction 6 three_body_reaction('H2 + M <=> 2 H + M', [4.577000e+19, -1.4, 104380.02], efficiencies='CO2:3.8 CO:1.9 H2:2.5 H2O:12.0 AR:0.0 HE:0.0') # Reaction 7 reaction('H2 + AR <=> 2 H + AR', [5.840000e+18, -1.1, 104380.02]) # Reaction 8 reaction('H2 + HE <=> 2 H + HE', [5.840000e+18, -1.1, 104380.02]) # Reaction 9 three_body_reaction('2 O + M <=> O2 + M', [6.165000e+15, -0.5, 0.0], efficiencies='CO2:3.8 CO:1.9 H2:2.5 H2O:12.0 AR:0.0 HE:0.0') # Reaction 10 reaction('2 O + AR <=> O2 + AR', [1.886000e+13, 0.0, -1788.0]) # Reaction 11 reaction('2 O + HE <=> O2 + HE', [1.886000e+13, 0.0, -1788.0]) # Reaction 12 three_body_reaction('O + H + M <=> OH + M', [4.714000e+18, -1.0, 0.0], efficiencies='CO2:3.8 CO:1.9 H2:2.5 H2O:12.0 AR:0.75 HE:0.75') # Reaction 13 three_body_reaction('H2O + M <=> H + OH + M', [6.064000e+27, -3.322, 120789.91], efficiencies='CO2:3.8 CO:1.9 H2:3.0 H2O:0.0 N2:2.0 O2:1.5 HE:1.1') # Reaction 14 reaction('2 H2O <=> H + OH + H2O', [1.006000e+26, -2.44, 120179.97]) # USE THIS IF MAIN BATH GAS IS N2 # Reaction 15 falloff_reaction('H + O2 (+ M) <=> HO2 (+ M)', kf=[4.651000e+12, 0.44, 0.0], kf0=[6.366000e+20, -1.72, 524.86], efficiencies='CO2:3.8 CO:1.9 H2:2.0 H2O:14.0 AR:0.67 O2:0.78 HE:0.8', falloff=Troe(A=0.5, T3=1e-30, T1=1e+30)) # !USE THIS IF MAIN BATH GAS IS AR OR HE # H+O2(+M)<=>HO2(+M) 4.651e+12 0.440 0.00 # N2/1.50/ O2/1.10/ H2/3.00/ H2O/21.00/ HE/1.20/ CO/2.70/ CO2/5.40/ # LOW / 9.042e+19 -1.500 492.11 / # TROE/ 0.5 1E-30 1E+30 / # Reaction 16 reaction('HO2 + H <=> H2 + O2', [2.750000e+06, 2.09, -1451.0]) # Reaction 17 reaction('HO2 + H <=> 2 OH', [7.079000e+13, 0.0, 294.93]) # Reaction 18 reaction('HO2 + O <=> O2 + OH', [2.850000e+10, 1.0, -723.95]) # Reaction 19 reaction('HO2 + OH <=> H2O + O2', [2.890000e+13, 0.0, -496.89]) # Reaction 20 reaction('2 HO2 <=> H2O2 + O2', [4.200000e+14, 0.0, 11982.07], options='duplicate') # Reaction 21 reaction('2 HO2 <=> H2O2 + O2', [1.300000e+11, 0.0, -1629.3], options='duplicate') # Reaction 22 falloff_reaction('H2O2 (+ M) <=> 2 OH (+ M)', kf=[2.000000e+12, 0.9, 48749.04], kf0=[2.490000e+24, -2.3, 48750.0], efficiencies='CO2:1.6 CO:2.8 H2O2:7.7 H2:3.7 H2O:7.5 N2:1.5 O2:1.2 HE:0.65', falloff=Troe(A=0.43, T3=1e-30, T1=1e+30)) # Reaction 23 reaction('H2O2 + H <=> H2O + OH', [2.410000e+13, 0.0, 3969.89]) # Reaction 24 reaction('H2O2 + H <=> HO2 + H2', [4.820000e+13, 0.0, 7950.05]) # Reaction 25 reaction('H2O2 + O <=> OH + HO2', [9.550000e+06, 2.0, 3969.89]) # Reaction 26 reaction('H2O2 + OH <=> HO2 + H2O', [1.740000e+12, 0.0, 318.12], options='duplicate') # Reaction 27 reaction('H2O2 + OH <=> HO2 + H2O', [7.590000e+13, 0.0, 7270.08], options='duplicate') # BASE CHEMISTRY BEYOND THIS # Reaction 28 falloff_reaction('CO + O (+ M) <=> CO2 (+ M)', kf=[1.800000e+10, 0.0, 2385.28], kf0=[1.550000e+24, -2.79, 4192.16], efficiencies='H2:2.0 H2O:12.0 AR:0.7 CO:1.75 CO2:3.6', falloff=Troe(A=1.0, T3=1.0, T1=10000000.0, T2=10000000.0)) # FCCHECK/ 0 0 0 0 1 0 # Reaction 29 reaction('CO + OH <=> CO2 + H', [7.046000e+04, 2.053, -355.64], options='duplicate') # Reaction 30 reaction('CO + OH <=> CO2 + H', [5.757000e+12, -0.664, 331.74], options='duplicate') # Reaction 31 reaction('CO + O2 <=> CO2 + O', [1.050000e+12, 0.0, 47700.05]) # Reaction 32 reaction('CO + HO2 <=> CO2 + OH', [1.570000e+05, 2.18, 17942.64]) # Reaction 33 reaction('HCO + H <=> CO + H2', [1.200000e+14, 0.0, 0.0]) # Reaction 34 reaction('HCO + O <=> CO + OH', [3.000000e+13, 0.0, 0.0]) # Reaction 35 reaction('HCO + O <=> CO2 + H', [3.000000e+13, 0.0, 0.0]) # Reaction 36 reaction('HCO + OH <=> CO + H2O', [3.020000e+13, 0.0, 0.0]) # Reaction 37 three_body_reaction('HCO + M <=> CO + H + M', [4.748000e+11, 0.659, 14873.8], efficiencies='H2:2.0 H2O:0.0 CO2:3.6 CO:1.75') # Reaction 38 reaction('HCO + O2 <=> CO + HO2', [7.580000e+12, 0.0, 409.89]) # Reaction 39 reaction('C + OH <=> CO + H', [5.000000e+13, 0.0, 0.0]) # Reaction 40 reaction('C + O2 <=> CO + O', [5.800000e+13, 0.0, 576.0]) # Reaction 41 reaction('CH + H <=> C + H2', [1.650000e+14, 0.0, 0.0]) # Reaction 42 reaction('CH + O <=> CO + H', [5.700000e+13, 0.0, 0.0]) # Reaction 43 reaction('CH + OH <=> HCO + H', [3.000000e+13, 0.0, 0.0]) # Reaction 44 reaction('CH + H2 <=> T-CH2 + H', [1.080000e+14, 0.0, 3109.46]) # Reaction 45 falloff_reaction('CH + H2 (+ M) <=> CH3 (+ M)', kf=[1.970000e+12, 0.43, -370.46], kf0=[4.820000e+25, -2.8, 590.34], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.578, T3=122.0, T1=2535.0, T2=9365.0)) # Reaction 46 reaction('CH + H2O <=> CH2O + H', [5.710000e+12, 0.0, -755.26]) # Reaction 47 reaction('CH + O2 <=> HCO + O', [6.710000e+13, 0.0, 0.0]) # Reaction 48 falloff_reaction('CH + CO (+ M) <=> HCCO (+ M)', kf=[5.000000e+13, 0.0, 0.0], kf0=[2.690000e+28, -3.74, 1935.95], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.5757, T3=237.0, T1=1652.0, T2=5069.0)) # Reaction 49 reaction('CH + CO2 <=> HCO + CO', [1.900000e+14, 0.0, 15791.11]) # Reaction 50 falloff_reaction('CO + H2 (+ M) <=> CH2O (+ M)', kf=[4.300000e+07, 1.5, 79600.86], kf0=[5.070000e+27, -3.42, 84349.9], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.932, T3=197.0, T1=1540.0, T2=10300.0)) # Reaction 51 falloff_reaction('HCO + H (+ M) <=> CH2O (+ M)', kf=[1.090000e+12, 0.48, -260.52], kf0=[2.470000e+24, -2.57, 425.43], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.7824, T3=271.0, T1=2755.0, T2=6570.0)) # Reaction 52 falloff_reaction('T-CH2 + H (+ M) <=> CH3 (+ M)', kf=[6.000000e+14, 0.0, 0.0], kf0=[1.040000e+26, -2.76, 1598.95], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.562, T3=91.0, T1=5836.0, T2=8552.0)) # Reaction 53 reaction('T-CH2 + O <=> HCO + H', [8.000000e+13, 0.0, 0.0]) # Reaction 54 reaction('T-CH2 + OH <=> CH2O + H', [2.000000e+13, 0.0, 0.0]) # Reaction 55 reaction('T-CH2 + OH <=> CH + H2O', [1.130000e+07, 2.0, 2999.52]) # Reaction 56 reaction('T-CH2 + H2 <=> H + CH3', [5.000000e+05, 2.0, 7229.92]) # Reaction 57 reaction('T-CH2 + O2 => CO2 + 2 H', [5.800000e+12, 0.0, 1500.96]) # Reaction 58 reaction('T-CH2 + O2 <=> CH2O + O', [2.400000e+12, 0.0, 1500.96]) # Reaction 59 reaction('T-CH2 + O2 => OH + H + CO', [5.000000e+12, 0.0, 1500.96]) # Reaction 60 reaction('T-CH2 + HO2 <=> CH2O + OH', [2.000000e+13, 0.0, 0.0]) # Reaction 61 reaction('T-CH2 + C <=> C2H + H', [5.000000e+13, 0.0, 0.0]) # Reaction 62 falloff_reaction('T-CH2 + CO (+ M) <=> CH2CO (+ M)', kf=[8.100000e+11, 0.5, 4510.04], kf0=[2.690000e+33, -5.11, 7096.08], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.5907, T3=275.0, T1=1226.0, T2=5185.0)) # Reaction 63 reaction('T-CH2 + CH <=> C2H2 + H', [4.000000e+13, 0.0, 0.0]) # Reaction 64 reaction('2 T-CH2 <=> C2H2 + H2', [1.600000e+15, 0.0, 11943.12]) # Reaction 65 reaction('2 T-CH2 => C2H2 + 2 H', [2.000000e+14, 0.0, 10989.48]) # Reaction 66 reaction('S-CH2 + N2 <=> T-CH2 + N2', [1.500000e+13, 0.0, 599.9]) # Reaction 67 reaction('S-CH2 + AR <=> T-CH2 + AR', [9.000000e+12, 0.0, 599.9]) # Reaction 68 reaction('S-CH2 + H <=> CH + H2', [3.000000e+13, 0.0, 0.0]) # Reaction 69 reaction('S-CH2 + O <=> CO + H2', [1.500000e+13, 0.0, 0.0]) # Reaction 70 reaction('S-CH2 + O <=> HCO + H', [1.500000e+13, 0.0, 0.0]) # Reaction 71 reaction('S-CH2 + OH <=> CH2O + H', [3.000000e+13, 0.0, 0.0]) # Reaction 72 reaction('S-CH2 + H2 <=> CH3 + H', [7.000000e+13, 0.0, 0.0]) # Reaction 73 reaction('S-CH2 + O2 <=> H + OH + CO', [2.800000e+13, 0.0, 0.0]) # Reaction 74 reaction('S-CH2 + O2 <=> CO + H2O', [1.200000e+13, 0.0, 0.0]) # Reaction 75 falloff_reaction('S-CH2 + H2O (+ M) <=> CH3OH (+ M)', kf=[4.820000e+17, -1.16, 1144.84], kf0=[1.880000e+38, -6.36, 5040.63], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.6027, T3=208.0, T1=3922.0, T2=10180.0)) # Reaction 76 reaction('S-CH2 + H2O <=> T-CH2 + H2O', [3.000000e+13, 0.0, 0.0]) # Reaction 77 reaction('S-CH2 + H2O => H2 + CH2O', [6.820000e+10, 0.25, -934.51]) # Reaction 78 reaction('S-CH2 + CO <=> T-CH2 + CO', [9.000000e+12, 0.0, 0.0]) # Reaction 79 reaction('S-CH2 + CO2 <=> T-CH2 + CO2', [7.000000e+12, 0.0, 0.0]) # Reaction 80 reaction('S-CH2 + CO2 <=> CH2O + CO', [1.400000e+13, 0.0, 0.0]) # Reaction 81 falloff_reaction('CH2O + H (+ M) <=> CH2OH (+ M)', kf=[5.400000e+11, 0.45, 3599.43], kf0=[1.270000e+32, -4.82, 6529.64], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.7187, T3=103.0, T1=1291.0, T2=4160.0)) # Reaction 82 falloff_reaction('CH2O + H (+ M) <=> CH3O (+ M)', kf=[5.400000e+11, 0.45, 2600.38], kf0=[2.200000e+30, -4.8, 5559.27], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.758, T3=94.0, T1=1555.0, T2=4200.0)) # Reaction 83 reaction('CH2O + H <=> HCO + H2', [5.740000e+07, 1.9, 2741.4]) # Reaction 84 reaction('CH2O + O <=> HCO + OH', [3.900000e+13, 0.0, 3539.67]) # Reaction 85 reaction('CH2O + OH <=> HCO + H2O', [3.430000e+09, 1.18, -446.94]) # Reaction 86 reaction('CH2O + O2 <=> HCO + HO2', [1.000000e+14, 0.0, 40000.0]) # Reaction 87 reaction('CH2O + HO2 <=> HCO + H2O2', [5.600000e+06, 2.0, 12000.48]) # Reaction 88 reaction('CH2O + CH <=> CH2CO + H', [9.460000e+13, 0.0, -516.25]) # Reaction 89 falloff_reaction('CH3 + H (+ M) <=> CH4 (+ M)', kf=[6.920000e+13, 0.18, 0.0], kf0=[3.470000e+38, -6.3, 5074.09], efficiencies='CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:3.0 C2H6:3.0', falloff=Troe(A=0.783, T3=74.0, T1=2941.0, T2=6964.0)) # Reaction 90 reaction('CH3 + O <=> CH2O + H', [5.060000e+13, 0.0, 0.0]) # Reaction 91 reaction('CH3 + O => H + H2 + CO', [3.370000e+13, 0.0, 0.0]) # Reaction 92 falloff_reaction('CH3 + OH (+ M) <=> CH3OH (+ M)', kf=[2.790000e+18, -1.43, 1331.26], kf0=[4.000000e+36, -5.92, 3140.54], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.412, T3=195.0, T1=5900.0, T2=6394.0)) # Reaction 93 reaction('CH3 + OH <=> T-CH2 + H2O', [5.600000e+07, 1.6, 5420.65]) # Reaction 94 reaction('CH3 + OH => H2 + CH2O', [8.000000e+09, 0.0, -1754.3]) # Reaction 95 reaction('CH3 + OH <=> S-CH2 + H2O', [6.440000e+17, -1.34, 1417.3]) # Reaction 96 reaction('CH3 + O2 <=> CH3O + O', [1.380000e+13, 0.0, 30521.03]) # Reaction 97 reaction('CH3 + O2 <=> CH2O + OH', [5.870000e+11, 0.0, 13840.82]) # Reaction 98 falloff_reaction('CH3 + O2 (+ M) <=> CH3O2 (+ M)', kf=[1.010000e+08, 1.63, 0.0], kf0=[3.820000e+31, -4.89, 3432.12], falloff=Troe(A=0.045, T3=880.1, T1=2500000000.0, T2=1786000000.0)) # Reaction 99 reaction('CH3O2 + CH3 <=> 2 CH3O', [1.000000e+13, 0.0, -1199.81]) # Reaction 100 reaction('2 CH3O2 => 2 CH3O + O2', [1.400000e+16, -1.61, 1859.46]) # Reaction 101 reaction('CH3O2 + HO2 => CH3O + OH + O2', [2.470000e+11, 0.0, -1570.27]) # Reaction 102 reaction('CH3O2 + CH2O => CH3O + OH + HCO', [1.990000e+12, 0.0, 11670.65]) # Reaction 103 reaction('CH3 + HO2 <=> CH3O + OH', [1.000000e+13, 0.0, 0.0]) # Reaction 104 reaction('CH3 + HO2 <=> CH4 + O2', [3.610000e+12, 0.0, 0.0]) # Reaction 105 reaction('CH3 + H2O2 <=> CH4 + HO2', [2.450000e+04, 2.47, 5179.25]) # Reaction 106 reaction('CH3 + C <=> C2H2 + H', [5.000000e+13, 0.0, 0.0]) # Reaction 107 reaction('CH3 + CH <=> C2H3 + H', [3.000000e+13, 0.0, 0.0]) # Reaction 108 reaction('CH3 + HCO <=> CH4 + CO', [2.650000e+13, 0.0, 0.0]) # Reaction 109 reaction('CH3 + CH2O <=> CH4 + HCO', [3.320000e+03, 2.81, 5860.42]) # Reaction 110 reaction('CH3 + T-CH2 <=> C2H4 + H', [1.000000e+14, 0.0, 0.0]) # Reaction 111 reaction('CH3 + S-CH2 <=> C2H4 + H', [1.200000e+13, 0.0, -571.22]) # Reaction 112 reaction('2 CH3 <=> C2H5 + H', [6.840000e+12, 0.1, 10599.9]) # Reaction 113 falloff_reaction('CH3O + H (+ M) <=> CH3OH (+ M)', kf=[2.430000e+12, 0.52, 50.19], kf0=[4.660000e+41, -7.44, 14079.83], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.7, T3=100.0, T1=90000.0, T2=10000.0)) # Reaction 114 reaction('CH3O + H <=> CH2OH + H', [4.150000e+07, 1.63, 1924.0]) # Reaction 115 reaction('CH3O + H <=> CH2O + H2', [2.000000e+13, 0.0, 0.0]) # Reaction 116 reaction('CH3O + H <=> CH3 + OH', [1.500000e+12, 0.5, -109.94]) # Reaction 117 reaction('CH3O + H <=> S-CH2 + H2O', [2.620000e+14, -0.23, 1070.75]) # Reaction 118 reaction('CH3O + O <=> CH2O + OH', [1.000000e+13, 0.0, 0.0]) # Reaction 119 reaction('CH3O + OH <=> CH2O + H2O', [5.000000e+12, 0.0, 0.0]) # Reaction 120 reaction('CH3O + O2 <=> CH2O + HO2', [4.280000e-13, 7.6, -3530.11]) # Reaction 121 falloff_reaction('CH2OH + H (+ M) <=> CH3OH (+ M)', kf=[1.060000e+12, 0.5, 86.04], kf0=[4.360000e+31, -4.65, 5081.26], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.6, T3=100.0, T1=9000.0, T2=10000.0)) # Reaction 122 reaction('CH2OH + H <=> CH2O + H2', [2.000000e+13, 0.0, 0.0]) # Reaction 123 reaction('CH2OH + H <=> CH3 + OH', [1.650000e+11, 0.65, -284.42]) # Reaction 124 reaction('CH2OH + H <=> S-CH2 + H2O', [3.280000e+13, -0.09, 609.46]) # Reaction 125 reaction('CH2OH + O <=> CH2O + OH', [1.000000e+13, 0.0, 0.0]) # Reaction 126 reaction('CH2OH + OH <=> CH2O + H2O', [5.000000e+12, 0.0, 0.0]) # Reaction 127 reaction('CH2OH + O2 <=> CH2O + HO2', [1.800000e+13, 0.0, 901.05]) # Reaction 128 reaction('CH4 + H <=> CH3 + H2', [6.600000e+08, 1.62, 10841.3]) # Reaction 129 reaction('CH4 + O <=> CH3 + OH', [1.020000e+09, 1.5, 8599.43]) # Reaction 130 reaction('CH4 + OH <=> CH3 + H2O', [1.000000e+08, 1.6, 3119.02]) # Reaction 131 reaction('CH4 + CH <=> C2H4 + H', [6.000000e+13, 0.0, 0.0]) # Reaction 132 reaction('CH4 + T-CH2 <=> 2 CH3', [2.460000e+06, 2.0, 8269.6]) # Reaction 133 reaction('CH4 + S-CH2 <=> 2 CH3', [1.600000e+13, 0.0, -571.22]) # Reaction 134 reaction('CH3OH + H <=> CH2OH + H2', [1.700000e+07, 2.1, 4870.94]) # Reaction 135 reaction('CH3OH + H <=> CH3O + H2', [4.200000e+06, 2.1, 4870.94]) # Reaction 136 reaction('CH3OH + O <=> CH2OH + OH', [3.880000e+05, 2.5, 3099.9]) # Reaction 137 reaction('CH3OH + O <=> CH3O + OH', [1.300000e+05, 2.5, 5000.0]) # Reaction 138 reaction('CH3OH + OH <=> CH2OH + H2O', [1.440000e+06, 2.0, -841.3]) # Reaction 139 reaction('CH3OH + OH <=> CH3O + H2O', [6.300000e+06, 2.0, 1500.96]) # Reaction 140 reaction('CH3OH + CH3 <=> CH2OH + CH4', [3.000000e+07, 1.5, 9940.25]) # Reaction 141 reaction('CH3OH + CH3 <=> CH3O + CH4', [1.000000e+07, 1.5, 9940.25]) # Reaction 142 falloff_reaction('C2H + H (+ M) <=> C2H2 (+ M)', kf=[1.000000e+17, -1.0, 0.0], kf0=[2.600000e+33, -4.8, 1900.1], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.6464, T3=132.0, T1=1315.0, T2=5566.0)) # Reaction 143 reaction('C2H + O <=> CH + CO', [5.000000e+13, 0.0, 0.0]) # Reaction 144 reaction('C2H + OH <=> H + HCCO', [2.000000e+13, 0.0, 0.0]) # Reaction 145 reaction('C2H + O2 <=> HCO + CO', [1.000000e+13, 0.0, -755.26]) # Reaction 146 reaction('C2H + H2 <=> C2H2 + H', [3.310000e+06, 2.26, 901.05]) # Reaction 147 reaction('HCCO + H <=> S-CH2 + CO', [1.000000e+14, 0.0, 0.0]) # Reaction 148 reaction('HCCO + O <=> H + 2 CO', [1.000000e+14, 0.0, 0.0]) # Reaction 149 reaction('HCCO + O2 <=> OH + 2 CO', [4.200000e+10, 0.0, 853.25]) # Reaction 150 reaction('HCCO + CH <=> C2H2 + CO', [5.000000e+13, 0.0, 0.0]) # Reaction 151 reaction('HCCO + T-CH2 <=> C2H3 + CO', [3.000000e+13, 0.0, 0.0]) # Reaction 152 reaction('2 HCCO <=> C2H2 + 2 CO', [1.000000e+13, 0.0, 0.0]) # Reaction 153 falloff_reaction('C2H2 + H (+ M) <=> C2H3 (+ M)', kf=[1.710000e+10, 1.27, 2707.93], kf0=[6.340000e+31, -4.66, 3781.07], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.2122, T3=1.0, T1=-10212.0)) # FCCHECK/ 0.2122 -10212 0 1 0 1 # Reaction 154 reaction('C2H2 + O <=> HCCO + H', [8.100000e+06, 2.0, 1900.1]) # Reaction 155 reaction('C2H2 + O <=> T-CH2 + CO', [1.250000e+07, 2.0, 1900.1]) # Reaction 156 reaction('C2H + OH <=> C2H2 + O', [1.810000e+13, 0.0, 0.0]) # Reaction 157 reaction('C2H2 + OH <=> C2H + H2O', [2.630000e+06, 2.14, 17060.23]) # Reaction 158 reaction('C2H2 + OH <=> HCCOH + H', [2.410000e+06, 2.0, 12712.72]) # Reaction 159 reaction('C2H2 + OH <=> CH2CO + H', [7.530000e+06, 1.55, 2105.64]) # Reaction 160 reaction('C2H2 + OH <=> CH3 + CO', [1.280000e+09, 0.73, 2578.87]) # Reaction 161 reaction('CH2CO + H <=> HCCO + H2', [5.000000e+13, 0.0, 7999.52]) # Reaction 162 reaction('CH2CO + H <=> CH3 + CO', [1.500000e+09, 1.38, 614.24]) # Reaction 163 reaction('CH2CO + O <=> HCCO + OH', [1.000000e+13, 0.0, 7999.52]) # Reaction 164 reaction('CH2CO + O <=> T-CH2 + CO2', [1.750000e+12, 0.0, 1350.38]) # Reaction 165 reaction('CH2CO + OH <=> HCCO + H2O', [7.500000e+12, 0.0, 2000.48]) # Reaction 166 reaction('HCCOH + H <=> CH2CO + H', [1.000000e+13, 0.0, 0.0]) # Reaction 167 falloff_reaction('C2H3 + H (+ M) <=> C2H4 (+ M)', kf=[6.080000e+12, 0.27, 279.64], kf0=[1.400000e+30, -3.86, 3319.79], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.782, T3=207.5, T1=2663.0, T2=6095.0)) # Reaction 168 reaction('C2H3 + H <=> C2H2 + H2', [3.000000e+13, 0.0, 0.0]) # Reaction 169 reaction('C2H3 + O <=> CH2CHO', [1.030000e+13, 0.21, -427.82]) # Reaction 170 reaction('C2H3 + OH <=> C2H2 + H2O', [5.000000e+12, 0.0, 0.0]) # Reaction 171 reaction('C2H3 + O2 <=> C2H2 + HO2', [1.340000e+06, 1.61, -384.8]) # Reaction 172 reaction('C2H3 + O2 <=> CH2CHO + O', [3.030000e+11, 0.29, 11.95]) # Reaction 173 reaction('C2H3 + O2 <=> HCO + CH2O', [4.580000e+16, -1.39, 1015.77]) # Reaction 174 reaction('CH2CHO <=> CH2CO + H', [1.320000e+34, -6.57, 49457.46]) # Reaction 175 reaction('CH2CHO <=> CH3 + CO', [6.510000e+34, -6.87, 47194.07]) # Reaction 176 reaction('CH2CHO + O <=> CH2O + HCO', [3.170000e+13, 0.03, -394.36]) # Reaction 177 reaction('CH2CHO + O2 => OH + CO + CH2O', [1.810000e+10, 0.0, 0.0]) # Reaction 178 reaction('CH2CHO + O2 => OH + 2 HCO', [2.350000e+10, 0.0, 0.0]) # Reaction 179 reaction('CH2CHO + H <=> CH3 + HCO', [2.200000e+13, 0.0, 0.0]) # Reaction 180 reaction('CH2CHO + H <=> CH2CO + H2', [1.100000e+13, 0.0, 0.0]) # Reaction 181 reaction('CH2CHO + OH <=> H2O + CH2CO', [1.200000e+13, 0.0, 0.0]) # Reaction 182 reaction('CH2CHO + OH <=> HCO + CH2OH', [3.010000e+13, 0.0, 0.0]) # Reaction 183 reaction('CH3 + HCO <=> CH3CHO', [5.000000e+13, 0.0, 0.0]) # Reaction 184 reaction('CH3CHO + O <=> CH2CHO + OH', [2.920000e+12, 0.0, 1809.27]) # Reaction 185 reaction('CH3CHO + H <=> CH2CHO + H2', [2.050000e+09, 1.16, 2404.4]) # Reaction 186 reaction('CH3CHO + H => CH3 + CO + H2', [2.050000e+09, 1.16, 2404.4]) # Reaction 187 reaction('CH3CHO + O => CH3 + CO + OH', [2.920000e+12, 0.0, 1809.27]) # Reaction 188 reaction('CH3CHO + O2 => CH3 + CO + HO2', [3.010000e+13, 0.0, 39149.14]) # Reaction 189 reaction('CH3CHO + OH => CH3 + CO + H2O', [2.340000e+10, 0.73, -1113.77]) # Reaction 190 reaction('CH3CHO + HO2 => CH3 + CO + H2O2', [3.010000e+12, 0.0, 11924.0]) # Reaction 191 reaction('CH3CHO + CH3 => CH3 + CO + CH4', [2.720000e+06, 1.77, 5920.17]) # Reaction 192 falloff_reaction('C2H4 (+ M) <=> H2C2 + H2 (+ M)', kf=[8.000000e+12, 0.44, 88800.19], kf0=[7.000000e+50, -9.31, 99899.62], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.735, T3=180.0, T1=1035.0, T2=5417.0)) # Reaction 193 falloff_reaction('C2H4 + H (+ M) <=> C2H5 (+ M)', kf=[1.370000e+09, 1.46, 1355.16], kf0=[2.030000e+39, -6.64, 5769.6], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=-0.569, T3=299.0, T1=-9147.0, T2=152.4)) # Reaction 194 reaction('C2H4 + H <=> C2H3 + H2', [1.270000e+05, 2.75, 11649.14]) # Reaction 195 reaction('C2H4 + O <=> CH2CHO + H', [7.660000e+09, 0.88, 1140.06]) # Reaction 196 reaction('C2H4 + O <=> T-CH2 + CH2O', [7.150000e+04, 2.47, 929.73]) # Reaction 197 reaction('C2H4 + O <=> CH3 + HCO', [3.890000e+08, 1.36, 886.71]) # Reaction 198 reaction('C2H4 + OH <=> C2H3 + H2O', [1.310000e-01, 4.2, -860.42]) # Reaction 199 reaction('C2H4 + OH <=> C2H5O', [3.750000e+36, -7.8, 7060.23]) # Reaction 200 reaction('C2H4 + CH3 <=> C2H3 + CH4', [2.270000e+05, 2.0, 9199.33]) # Reaction 201 falloff_reaction('C2H4 + CH3 (+ M) <=> N-C3H7 (+ M)', kf=[2.550000e+06, 1.6, 5700.29], kf0=[3.000000e+63, -14.6, 18169.22], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.1894, T3=277.0, T1=8748.0, T2=7891.0)) # Reaction 202 falloff_reaction('C2H5 + H (+ M) <=> C2H6 (+ M)', kf=[5.210000e+17, -0.99, 1579.83], kf0=[1.990000e+41, -7.08, 6684.99], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.8422, T3=125.0, T1=2219.0, T2=6882.0)) # Reaction 203 reaction('C2H5 + H <=> C2H4 + H2', [2.000000e+12, 0.0, 0.0]) # Reaction 204 reaction('C2H5 + CH3 <=> C2H4 + CH4', [1.180000e+04, 2.45, 2920.65]) # Reaction 205 reaction('C2H5 + O <=> C2H5O', [3.170000e+13, 0.03, -394.36]) # Reaction 206 reaction('C2H5O <=> CH3 + CH2O', [1.320000e+20, -2.02, 20750.48]) # Reaction 207 reaction('C2H5O <=> CH3CHO + H', [5.450000e+15, -0.69, 22229.92]) # Reaction 208 reaction('C2H5O + O2 <=> CH3CHO + HO2', [2.290000e+10, 0.0, 874.76]) # Reaction 209 reaction('C2H5 + O2 <=> C2H4 + HO2', [1.920000e+07, 1.02, -2033.94]) # Reaction 210 falloff_reaction('C3H8 (+ M) <=> C2H5 + CH3 (+ M)', kf=[1.290000e+37, -5.84, 97387.67], kf0=[5.640000e+74, -15.74, 98718.93], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.31, T3=50.0, T1=3000.0, T2=9000.0)) # Reaction 211 falloff_reaction('C2H6 (+ M) <=> 2 CH3 (+ M)', kf=[1.880000e+50, -9.72, 107342.26], kf0=[3.720000e+65, -13.14, 101579.83], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.39, T3=100.0, T1=1900.0, T2=6000.0)) # Reaction 212 reaction('C2H6 + H <=> C2H5 + H2', [1.700000e+05, 2.7, 5740.92]) # Reaction 213 reaction('C2H6 + O <=> C2H5 + OH', [3.170000e+01, 3.8, 3130.98]) # Reaction 214 reaction('C2H6 + OH <=> C2H5 + H2O', [1.610000e+06, 2.22, 740.92]) # Reaction 215 reaction('C2H6 + S-CH2 <=> C2H5 + CH3', [4.000000e+13, 0.0, -549.71]) # Reaction 216 reaction('C2H6 + CH3 <=> C2H5 + CH4', [8.430000e+14, 0.0, 22256.21]) # Reaction 217 reaction('N-C3H7 + O <=> C2H5 + CH2O', [3.170000e+13, 0.03, -394.36]) # Reaction 218 falloff_reaction('N-C3H7 + H (+ M) <=> C3H8 (+ M)', kf=[3.610000e+13, 0.0, 0.0], kf0=[4.420000e+61, -13.55, 11357.55], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.315, T3=369.0, T1=3285.0, T2=6667.0)) # Reaction 219 reaction('N-C3H7 + OH <=> C3H6 + H2O', [2.410000e+13, 0.0, 0.0]) # Reaction 220 reaction('N-C3H7 + CH3 <=> C3H6 + CH4', [3.310000e+12, 0.0, -769.6]) # Reaction 221 falloff_reaction('C3H6 + H (+ M) <=> N-C3H7 (+ M)', kf=[3.060000e+14, -0.37, 4032.03], kf0=[6.260000e+38, -6.66, 7000.48], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=1.0, T3=1000.0, T1=1310.0, T2=48097.0)) # Reaction 222 reaction('N-C3H7 + O2 <=> C3H6 + HO2', [3.700000e+16, -1.63, 3417.78]) # Reaction 223 reaction('C3H8 + H <=> N-C3H7 + H2', [5.800000e-02, 4.71, 6211.76]) # Reaction 224 reaction('C3H8 + O <=> N-C3H7 + OH', [2.350000e+00, 4.09, 2545.41]) # Reaction 225 reaction('C3H8 + OH <=> N-C3H7 + H2O', [5.360000e+06, 2.01, 365.68]) # Reaction 226 reaction('C3H8 + CH3 <=> N-C3H7 + CH4', [9.030000e-01, 3.65, 7153.44]) # Reaction 227 reaction('C3H8 + HO2 <=> N-C3H7 + H2O2', [9.640000e+03, 2.6, 13910.13]) # Reaction 228 three_body_reaction('C2H2 + M <=> H2C2 + M', [2.450000e+15, -0.64, 49698.85], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0 C2H6:3.0') # Reaction 229 reaction('H2C2 + O2 <=> T-CH2 + CO2', [3.300000e+12, 0.0, 0.0]) # Reaction 230 reaction('H2C2 + O2 <=> 2 HCO', [1.000000e+13, 0.0, 0.0]) # Reaction 231 reaction('C2H2 + S-CH2 <=> C3H3 + H', [1.900000e+14, 0.0, 0.0]) # Reaction 232 reaction('P-C3H4 + H <=> C2H2 + CH3', [3.460000e+12, 0.44, 5463.67]) # Reaction 233 reaction('A-C3H4 + H <=> C2H2 + CH3', [8.950000e+13, -0.02, 11250.0]) # Reaction 234 reaction('C2H2 + CH3 <=> S-C3H5', [7.450000e+43, -10.13, 18522.94]) # Reaction 235 reaction('C2H2 + C2H <=> N-C4H3', [7.800000e+13, 0.0, 0.0]) # Reaction 236 reaction('C2H2 + HCCO <=> C3H3 + CO', [1.000000e+11, 0.0, 2999.52]) # Reaction 237 reaction('C2H3 + H2O2 <=> C2H4 + HO2', [1.210000e+10, 0.0, -595.12]) # Reaction 238 reaction('C2H3 + HCO <=> C2H4 + CO', [9.000000e+13, 0.0, 0.0]) # Reaction 239 reaction('C2H3 + HCO <=> C2H3CHO', [1.800000e+13, 0.0, 0.0]) # Reaction 240 reaction('C2H3 + CH3 <=> C2H2 + CH4', [9.030000e+12, 0.0, -764.82]) # Reaction 241 reaction('C3H6 <=> C2H3 + CH3', [4.040000e+42, -7.67, 111830.78]) # Reaction 242 reaction('C2H3 + CH3 <=> A-C3H5 + H', [1.930000e+18, -1.25, 7669.69]) # Reaction 243 reaction('A-C3H5 + H <=> C3H6', [5.930000e+54, -11.76, 23549.24]) # Reaction 244 reaction('C2H + CH3 <=> C3H3 + H', [2.410000e+13, 0.0, 0.0]) # Reaction 245 reaction('C2O + H <=> CH + CO', [5.000000e+13, 0.0, 0.0]) # Reaction 246 reaction('C2O + O <=> 2 CO', [5.000000e+13, 0.0, 0.0]) # Reaction 247 reaction('C2O + OH <=> H + 2 CO', [2.000000e+13, 0.0, 0.0]) # Reaction 248 reaction('C2O + O2 <=> O + 2 CO', [2.000000e+13, 0.0, 0.0]) # Reaction 249 reaction('HCCO + CH3 <=> C2H4 + CO', [5.000000e+13, 0.0, 0.0]) # Reaction 250 reaction('HCCO + OH <=> C2O + H2O', [3.000000e+13, 0.0, 0.0]) # Reaction 251 reaction('HCCO + OH <=> 2 HCO', [1.000000e+13, 0.0, 0.0]) # Reaction 252 reaction('CH2CO + OH <=> CH2OH + CO', [5.000000e+12, 0.0, 0.0]) # Reaction 253 reaction('CH2CO + T-CH2 <=> C2H4 + CO', [1.000000e+12, 0.0, 0.0]) # Reaction 254 reaction('CH2CO + T-CH2 <=> HCCO + CH3', [3.600000e+13, 0.0, 10999.04]) # Reaction 255 reaction('CH2CO + CH3 <=> C2H5 + CO', [9.000000e+10, 0.0, 0.0]) # Reaction 256 reaction('CH2CO + CH3 <=> HCCO + CH4', [7.500000e+12, 0.0, 12999.52]) # Reaction 257 reaction('CH2CHO + CH3 <=> C2H5 + HCO', [4.900000e+14, -0.5, 0.0]) # Reaction 258 reaction('C2H4 + C2H <=> C4H4 + H', [1.200000e+13, 0.0, 0.0]) # Reaction 259 reaction('C2H4 + O2 <=> C2H3 + HO2', [4.220000e+13, 0.0, 62100.86]) # Reaction 260 reaction('C2H4 + O2 => CH3 + CO2 + H', [4.900000e+12, 0.42, 75800.67]) # Reaction 261 reaction('C2H5 + HCO <=> C2H6 + CO', [1.200000e+14, 0.0, 0.0]) # Reaction 262 reaction('C2H5 + HO2 <=> C2H6 + O2', [3.000000e+11, 0.0, 0.0]) # Reaction 263 reaction('C2H5 + HO2 <=> C2H4 + H2O2', [3.000000e+11, 0.0, 0.0]) # Reaction 264 reaction('C2H5 + HO2 <=> C2H5O + OH', [3.100000e+13, 0.0, 0.0]) # Reaction 265 reaction('C2H6 + HO2 <=> C2H5 + H2O2', [2.610000e+02, 3.37, 15913.0]) # Reaction 266 reaction('C3H2 + O <=> C3H2O', [1.360000e+14, 0.0, 0.0]) # Reaction 267 reaction('C3H2 + OH <=> C2H2 + HCO', [1.000000e+13, 0.0, 0.0]) # Reaction 268 reaction('C3H2 + O2 <=> HCCO + CO + H', [1.250000e+11, 0.0, 999.04]) # Reaction 269 reaction('C3H2 + CH <=> C4H2 + H', [5.000000e+13, 0.0, 0.0]) # Reaction 270 reaction('C3H2 + T-CH2 <=> N-C4H3 + H', [5.000000e+13, 0.0, 0.0]) # Reaction 271 reaction('C3H2 + CH3 <=> C4H4 + H', [5.000000e+12, 0.0, 0.0]) # Reaction 272 reaction('C3H2 + HCCO <=> N-C4H3 + CO', [1.000000e+13, 0.0, 0.0]) # Reaction 273 reaction('C2H + HCO <=> C3H2O', [5.000000e+13, 0.0, 0.0]) # Reaction 274 reaction('C3H2O + H <=> C2H2 + HCO', [3.460000e+12, 0.44, 5463.67]) # Reaction 275 reaction('C3H2O + H => C2H + CO + H2', [2.050000e+09, 1.16, 2404.4]) # Reaction 276 reaction('C3H2O + O => C2H + CO + OH', [2.920000e+12, 0.0, 1809.27]) # Reaction 277 reaction('C3H2O + O2 => C2H + CO + HO2', [3.010000e+13, 0.0, 39149.14]) # Reaction 278 reaction('C3H2O + OH => C2H + CO + H2O', [2.340000e+10, 0.73, -1113.77]) # Reaction 279 reaction('C3H2O + HO2 => C2H + CO + H2O2', [3.010000e+12, 0.0, 11924.0]) # Reaction 280 reaction('C3H2O + CH3 => C2H + CO + CH4', [2.720000e+06, 1.77, 5920.17]) # Reaction 281 falloff_reaction('C3H2 + H (+ M) <=> C3H3 (+ M)', kf=[1.020000e+13, 0.27, 279.64], kf0=[2.800000e+30, -3.86, 3319.79], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.782, T3=207.5, T1=2663.0, T2=6095.0)) # Reaction 282 reaction('C3H3 + H <=> C3H2 + H2', [1.100000e+10, 1.13, 13929.25]) # Reaction 283 reaction('C3H3 + H <=> P-C3H4', [7.940000e+29, -5.06, 4861.38]) # Reaction 284 reaction('C3H3 + H <=> A-C3H4', [3.160000e+29, -5.0, 4710.8]) # Reaction 285 reaction('C3H3 + OH <=> C2H3CHO', [7.530000e+06, 1.55, 2105.64]) # Reaction 286 reaction('C3H3 + OH <=> C2H4 + CO', [1.280000e+09, 0.73, 2578.87]) # Reaction 287 reaction('C3H3 + OH <=> C3H2 + H2O', [1.130000e+05, 2.28, 2466.54]) # Reaction 288 reaction('C3H3 + OH <=> CH2O + C2H2', [1.880000e+36, -7.8, 7060.23]) # Reaction 289 reaction('C3H3 + O <=> C3H2O + H', [1.380000e+14, 0.0, 0.0]) # Reaction 290 reaction('C3H3 + O2 <=> CH2CO + HCO', [1.700000e+05, 1.7, 1500.96]) # Reaction 291 reaction('C3H3 + HO2 <=> OH + CO + C2H3', [8.000000e+11, 0.0, 0.0]) # Reaction 292 reaction('C3H3 + HO2 <=> A-C3H4 + O2', [3.000000e+11, 0.0, 0.0]) # Reaction 293 reaction('C3H3 + HO2 <=> P-C3H4 + O2', [3.000000e+11, 0.0, 0.0]) # Reaction 294 reaction('P-C3H4 + O2 <=> CH3 + HCO + CO', [4.000000e+14, 0.0, 41928.78]) # Reaction 295 reaction('C3H3 + HCO <=> A-C3H4 + CO', [2.500000e+13, 0.0, 0.0]) # Reaction 296 reaction('C3H3 + HCO <=> P-C3H4 + CO', [2.500000e+13, 0.0, 0.0]) # Reaction 297 reaction('C3H3 + CH <=> I-C4H3 + H', [5.000000e+13, 0.0, 0.0]) # Reaction 298 reaction('C3H3 + T-CH2 <=> C4H4 + H', [5.000000e+13, 0.0, 0.0]) # Reaction 299 reaction('A-C3H4 <=> P-C3H4', [7.760000e+39, -7.8, 78446.46]) # Reaction 300 reaction('A-C3H4 + H <=> P-C3H4 + H', [2.470000e+15, -0.33, 6436.42]) # Reaction 301 reaction('A-C3H4 + H <=> A-C3H5', [2.010000e+49, -10.77, 19622.37]) # Reaction 302 reaction('A-C3H4 + H <=> T-C3H5', [6.700000e+42, -12.46, 16359.94]) # Reaction 303 reaction('P-C3H4 + H <=> T-C3H5', [8.830000e+52, -12.36, 16445.98]) # Reaction 304 reaction('P-C3H4 + H <=> S-C3H5', [1.530000e+49, -11.97, 14144.36]) # Reaction 305 reaction('P-C3H4 + H <=> C3H3 + H2', [8.500000e+04, 2.7, 5740.92]) # Reaction 306 reaction('P-C3H4 + O <=> C3H3 + OH', [4.490000e+07, 1.92, 5690.73]) # Reaction 307 reaction('P-C3H4 + OH <=> C3H3 + H2O', [8.050000e+05, 2.22, 740.92]) # Reaction 308 reaction('P-C3H4 + CH3 <=> C3H3 + CH4', [4.220000e+14, 0.0, 22256.21]) # Reaction 309 reaction('P-C3H4 + HO2 <=> C3H3 + H2O2', [1.300000e+02, 3.37, 15913.0]) # Reaction 310 reaction('A-C3H4 + H <=> C3H3 + H2', [1.330000e+06, 2.53, 12239.48]) # Reaction 311 reaction('A-C3H4 + OH <=> C3H3 + H2O', [1.310000e-01, 4.2, -860.42]) # Reaction 312 reaction('A-C3H4 + CH3 <=> C3H3 + CH4', [2.270000e+05, 2.0, 9199.33]) # Reaction 313 reaction('A-C3H4 + HO2 <=> C3H3 + H2O2', [9.760000e+10, 0.12, 23369.98]) # Reaction 314 reaction('A-C3H4 + O <=> CH2CO + T-CH2', [9.630000e+06, 2.05, 179.25]) # Reaction 315 reaction('P-C3H4 + O <=> HCCO + CH3', [4.050000e+06, 2.0, 1900.1]) # Reaction 316 reaction('P-C3H4 + O <=> C2H4 + CO', [6.250000e+06, 2.0, 1900.1]) # Reaction 317 reaction('A-C3H4 + C2H <=> C2H2 + C3H3', [1.000000e+13, 0.0, 0.0]) # Reaction 318 reaction('P-C3H4 + C2H <=> C2H2 + C3H3', [1.000000e+13, 0.0, 0.0]) # Reaction 319 reaction('P-C3H4 + OH <=> HCCOH + CH3', [2.410000e+06, 2.0, 12712.72]) # Reaction 320 reaction('P-C3H4 + OH <=> CH2CO + CH3', [7.530000e+06, 1.55, 2105.64]) # Reaction 321 reaction('P-C3H4 + OH <=> C2H5 + CO', [1.280000e+09, 0.73, 2578.87]) # Reaction 322 reaction('C2H3CHO + H => C2H3 + CO + H2', [4.090000e+09, 1.16, 2404.4]) # Reaction 323 reaction('C2H3CHO + O => C2H3 + CO + OH', [5.840000e+12, 0.0, 1809.27]) # Reaction 324 reaction('C2H3CHO + OH => C2H3 + CO + H2O', [2.890000e+08, 1.35, -1572.66]) # Reaction 325 reaction('C2H3CHO + HO2 => C2H3 + CO + H2O2', [4.090000e+04, 2.5, 10203.15]) # Reaction 326 reaction('C2H3CHO + CH3 => C2H3 + CO + CH4', [3.490000e-08, 6.21, 1630.02]) # Reaction 327 reaction('A-C3H5 <=> T-C3H5', [7.060000e+56, -14.08, 75867.59]) # Reaction 328 reaction('A-C3H5 <=> S-C3H5', [5.000000e+51, -13.02, 73300.67]) # Reaction 329 reaction('T-C3H5 <=> S-C3H5', [1.500000e+48, -12.71, 53900.57]) # Reaction 330 reaction('A-C3H5 + H <=> A-C3H4 + H2', [9.560000e+03, 2.8, 3291.11]) # Reaction 331 reaction('A-C3H5 + OH <=> A-C3H4 + H2O', [6.030000e+12, 0.0, 0.0]) # Reaction 332 reaction('A-C3H5 + CH3 <=> A-C3H4 + CH4', [4.860000e+11, -0.32, -131.45]) # Reaction 333 reaction('A-C3H5 + C2H3 <=> A-C3H4 + C2H4', [2.410000e+12, 0.0, 0.0]) # Reaction 334 reaction('A-C3H5 + C2H5 <=> A-C3H4 + C2H6', [9.640000e+11, 0.0, -131.45]) # Reaction 335 reaction('2 A-C3H5 <=> A-C3H4 + C3H6', [1.000000e+12, 0.0, 0.0]) # Reaction 336 reaction('A-C3H5 + O2 <=> A-C3H4 + HO2', [2.060000e+04, 2.19, 17590.82]) # Reaction 337 reaction('A-C3H5 + O2 <=> C2H3CHO + OH', [3.360000e+05, 1.81, 19189.77]) # Reaction 338 reaction('A-C3H5 + O2 => C2H2 + CH2O + OH', [9.710000e+20, -2.7, 24980.88]) # Reaction 339 reaction('A-C3H5 + O2 <=> CH2CHO + CH2O', [3.080000e+09, 0.37, 16909.66]) # Reaction 340 reaction('A-C3H5 + O <=> C3H5O', [3.170000e+13, 0.03, -394.36]) # Reaction 341 reaction('A-C3H5 + OH <=> C2H3CHO + H2', [4.200000e+32, -5.16, 30126.67]) # Reaction 342 reaction('A-C3H5 + HCO <=> C3H6 + CO', [6.000000e+13, 0.0, 0.0]) # Reaction 343 reaction('A-C3H5 + HO2 <=> C3H6 + O2', [2.660000e+12, 0.0, 0.0]) # Reaction 344 reaction('A-C3H5 + HO2 <=> C3H5O + OH', [1.060000e+16, -0.94, 2523.9]) # Reaction 345 reaction('A-C3H5 + CH3O2 <=> C3H5O + CH3O', [7.000000e+12, 0.0, -999.04]) # Reaction 346 reaction('T-C3H5 + H <=> P-C3H4 + H2', [3.340000e+12, 0.0, 0.0]) # Reaction 347 reaction('T-C3H5 + O <=> CH3 + CH2CO', [6.000000e+13, 0.0, 0.0]) # Reaction 348 reaction('T-C3H5 + OH => CH3 + CH2CO + H', [5.000000e+12, 0.0, 0.0]) # Reaction 349 reaction('T-C3H5 + HO2 <=> CH3 + CH2CO + OH', [2.000000e+13, 0.0, 0.0]) # Reaction 350 reaction('T-C3H5 + HCO <=> C3H6 + CO', [9.000000e+13, 0.0, 0.0]) # Reaction 351 reaction('T-C3H5 + CH3 <=> P-C3H4 + CH4', [1.000000e+11, 0.0, 0.0]) # Reaction 352 reaction('S-C3H5 + H <=> P-C3H4 + H2', [3.340000e+12, 0.0, 0.0]) # Reaction 353 reaction('S-C3H5 + O <=> C2H4 + HCO', [6.000000e+13, 0.0, 0.0]) # Reaction 354 reaction('S-C3H5 + OH => C2H4 + HCO + H', [5.000000e+12, 0.0, 0.0]) # Reaction 355 reaction('S-C3H5 + HO2 <=> C2H4 + HCO + OH', [2.000000e+13, 0.0, 0.0]) # Reaction 356 reaction('S-C3H5 + HCO <=> C3H6 + CO', [9.000000e+13, 0.0, 0.0]) # Reaction 357 reaction('S-C3H5 + CH3 <=> P-C3H4 + CH4', [1.000000e+11, 0.0, 0.0]) # Reaction 358 reaction('T-C3H5 + O2 <=> P-C3H4 + HO2', [1.340000e+06, 1.61, -384.8]) # Reaction 359 reaction('S-C3H5 + O2 <=> P-C3H4 + HO2', [6.700000e+05, 1.61, -384.8]) # Reaction 360 reaction('T-C3H5 + O2 => CH2CO + CH3 + O', [3.030000e+11, 0.29, 11.95]) # Reaction 361 reaction('S-C3H5 + O2 => C2H3CHO + H + O', [3.030000e+11, 0.29, 11.95]) # Reaction 362 reaction('T-C3H5 + O2 => CH3 + CO + CH2O', [4.580000e+16, -1.39, 1015.77]) # Reaction 363 reaction('S-C3H5 + O2 <=> CH3CHO + HCO', [4.580000e+16, -1.39, 1015.77]) # Reaction 364 reaction('T-C3H5 + O2 <=> A-C3H4 + HO2', [1.920000e+07, 1.02, -2033.94]) # Reaction 365 reaction('C3H5O + O2 => C2H3CHO + HO2', [1.000000e+12, 0.0, 5999.04]) # Reaction 366 reaction('C3H5O <=> C2H3CHO + H', [1.000000e+14, 0.0, 29098.95]) # Reaction 367 reaction('C3H5O => C2H3 + CH2O', [2.030000e+12, 0.09, 23561.19]) # Reaction 368 reaction('C3H6 + H <=> C2H4 + CH3', [8.000000e+21, -2.39, 11180.69]) # Reaction 369 reaction('C3H6 + O <=> CH2CHO + CH3', [1.200000e+08, 1.6, 327.44]) # Reaction 370 reaction('C3H6 + O <=> C2H5 + HCO', [3.500000e+07, 1.6, -972.75]) # Reaction 371 reaction('C3H6 + H <=> A-C3H5 + H2', [6.600000e+05, 2.54, 6756.69]) # Reaction 372 reaction('C3H6 + O <=> A-C3H5 + OH', [9.650000e+04, 2.68, 3716.54]) # Reaction 373 reaction('C3H6 + OH <=> A-C3H5 + H2O', [2.000000e+08, 1.46, 537.76]) # Reaction 374 reaction('C3H6 + HO2 <=> A-C3H5 + H2O2', [9.600000e+03, 2.6, 13910.13]) # Reaction 375 reaction('C3H6 + CH3 <=> A-C3H5 + CH4', [4.520000e-01, 3.65, 7153.44]) # Reaction 376 reaction('C3H6 + H <=> T-C3H5 + H2', [4.000000e+05, 2.5, 9789.67]) # Reaction 377 reaction('C3H6 + O <=> T-C3H5 + OH', [6.000000e+10, 0.7, 7629.06]) # Reaction 378 reaction('C3H6 + OH <=> T-C3H5 + H2O', [1.100000e+06, 2.0, 1450.76]) # Reaction 379 reaction('C3H6 + CH3 <=> T-C3H5 + CH4', [8.400000e-01, 3.5, 11661.09]) # Reaction 380 reaction('C3H6 + H <=> S-C3H5 + H2', [6.650000e+05, 2.53, 12239.48]) # Reaction 381 reaction('C3H6 + O <=> S-C3H5 + OH', [1.210000e+11, 0.7, 8960.33]) # Reaction 382 reaction('C3H6 + OH <=> S-C3H5 + H2O', [6.550000e-02, 4.2, -860.42]) # Reaction 383 reaction('C3H6 + CH3 <=> S-C3H5 + CH4', [1.140000e+05, 2.0, 9199.33]) # Reaction 384 reaction('C4H + O2 <=> C2H + 2 CO', [1.000000e+13, 0.0, -755.26]) # Reaction 385 reaction('C4H + H <=> C4H2', [6.000000e+13, 0.0, 0.0]) # Reaction 386 reaction('C4H2 + H <=> C4H + H2', [3.200000e+09, 1.8, 30107.55]) # Reaction 387 reaction('C4H2 + H2 <=> C4H4', [4.000000e+14, 0.0, 53900.57]) # Reaction 388 reaction('2 C4H2 => C8H2 + 2 H', [1.510000e+14, 0.0, 55999.04]) # Reaction 389 reaction('2 C4H2 <=> C8H2 + H2', [1.510000e+13, 0.0, 42700.76]) # Reaction 390 reaction('C4H2 + O2 <=> 2 HCCO', [9.560000e+12, 0.0, 31099.43]) # Reaction 391 reaction('C4H2 + O <=> C3H2 + CO', [2.060000e+07, 2.0, 1900.1]) # Reaction 392 falloff_reaction('C4H2 + H (+ M) <=> I-C4H3 (+ M)', kf=[4.310000e+10, 1.16, 1751.91], kf0=[2.300000e+45, -8.1, 2507.17], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.0748, T3=1.0, T1=-4216.0)) # FCCHECK/ 0.0748 -4216 0 1 0 1 # Reaction 393 reaction('C4H2 + H <=> N-C4H3', [1.370000e+39, -7.87, 15442.16]) # Reaction 394 reaction('C4H2 + OH <=> C4H + H2O', [9.150000e+09, 1.03, 21747.13]) # Reaction 395 reaction('C4H2 + OH <=> C3H3 + CO', [3.300000e+12, -0.25, 2375.72]) # Reaction 396 reaction('N-C4H3 <=> I-C4H3', [4.100000e+43, -9.5, 52999.52]) # Reaction 397 reaction('N-C4H3 + H <=> I-C4H3 + H', [2.500000e+20, -1.67, 10800.67]) # Reaction 398 reaction('N-C4H3 + H <=> C4H4', [2.000000e+47, -10.26, 13068.83]) # Reaction 399 reaction('I-C4H3 + H <=> C4H4', [3.400000e+43, -9.01, 12119.98]) # Reaction 400 reaction('N-C4H3 + H <=> 2 C2H2', [6.300000e+25, -3.34, 10009.56]) # Reaction 401 reaction('I-C4H3 + H <=> 2 C2H2', [2.800000e+23, -2.55, 10779.16]) # Reaction 402 reaction('N-C4H3 + H <=> C4H2 + H2', [1.500000e+13, 0.0, 0.0]) # Reaction 403 reaction('I-C4H3 + H <=> C4H2 + H2', [3.000000e+13, 0.0, 0.0]) # Reaction 404 reaction('N-C4H3 + OH <=> C4H2 + H2O', [2.500000e+12, 0.0, 0.0]) # Reaction 405 reaction('I-C4H3 + OH <=> C4H2 + H2O', [5.000000e+12, 0.0, 0.0]) # Reaction 406 reaction('N-C4H3 + O2 <=> C4H2 + HO2', [6.700000e+05, 1.61, -384.8]) # Reaction 407 reaction('I-C4H3 + O2 <=> C4H2 + HO2', [1.340000e+06, 1.61, -384.8]) # Reaction 408 reaction('I-C4H3 + O <=> CH2CO + C2H', [2.000000e+13, 0.0, 0.0]) # Reaction 409 reaction('I-C4H3 + O2 <=> HCCO + CH2CO', [1.630000e+11, 0.0, -1799.71]) # Reaction 410 reaction('I-C4H3 + O2 <=> HCO + C2H2 + CO', [1.700000e+05, 1.7, 1500.96]) # Reaction 411 reaction('C4H4 + H <=> N-C4H3 + H2', [1.270000e+05, 2.75, 11649.14]) # Reaction 412 reaction('C4H4 + H <=> I-C4H3 + H2', [6.350000e+04, 2.75, 11649.14]) # Reaction 413 reaction('C4H4 + OH <=> N-C4H3 + H2O', [6.550000e-02, 4.2, -860.42]) # Reaction 414 reaction('C4H4 + OH <=> I-C4H3 + H2O', [3.280000e-02, 4.2, -860.42]) # Reaction 415 reaction('C4H4 + CH3 <=> N-C4H3 + CH4', [1.140000e+05, 2.0, 9199.33]) # Reaction 416 reaction('C4H4 + CH3 <=> I-C4H3 + CH4', [5.680000e+04, 2.0, 9199.33]) # Reaction 417 reaction('C4H4 + O <=> A-C3H4 + CO', [6.250000e+06, 2.0, 1900.1]) # Reaction 418 reaction('C4H4 + O <=> C3H2 + CH2O', [3.580000e+04, 2.47, 929.73]) # Reaction 419 reaction('C4H4 + O <=> C3H3 + HCO', [1.950000e+08, 1.36, 886.71]) # Reaction 420 reaction('C4H2 + C2H <=> C6H2 + H', [7.800000e+13, 0.0, 0.0]) # Reaction 421 reaction('C2H2 + C4H <=> C6H2 + H', [7.800000e+13, 0.0, 0.0]) # Reaction 422 reaction('C6H2 + C2H <=> C8H2 + H', [7.800000e+13, 0.0, 0.0]) # Reaction 423 reaction('C4H2 + C4H <=> C8H2 + H', [7.800000e+13, 0.0, 0.0]) # Reaction 424 reaction('H2C2 + C2H4 <=> C4H6', [1.000000e+12, 0.0, 0.0]) # Reaction 425 reaction('H2C2 + C2H2 <=> C4H4', [1.900000e+14, 0.0, 0.0]) # Reaction 426 reaction('C2H3 + C2H2 <=> N-C4H5', [1.320000e+12, 0.16, 8312.62]) # Reaction 427 reaction('2 C2H3 <=> C4H6', [8.430000e+13, 0.0, 0.0]) # Reaction 428 reaction('2 C2H3 <=> I-C4H5 + H', [1.200000e+22, -2.44, 13654.4]) # Reaction 429 reaction('2 C2H3 <=> N-C4H5 + H', [2.400000e+20, -2.04, 15363.29]) # Reaction 430 reaction('2 C2H3 <=> C2H2 + C2H4', [9.600000e+11, 0.0, 0.0]) # Reaction 431 falloff_reaction('C3H3 + CH3 (+ M) <=> C4H6 (+ M)', kf=[1.500000e+12, 0.0, 0.0], kf0=[2.600000e+57, -11.94, 9772.94], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.175, T3=1340.6, T1=60000.0, T2=9769.8)) # Reaction 432 reaction('C3H6 + C2H3 <=> C4H6 + CH3', [7.230000e+11, 0.0, 5000.0]) # Reaction 433 reaction('C4H6 <=> I-C4H5 + H', [5.700000e+36, -6.27, 112354.21]) # Reaction 434 reaction('C4H6 <=> N-C4H5 + H', [5.300000e+44, -8.62, 123608.99]) # Reaction 435 reaction('C4H6 <=> C4H4 + H2', [2.500000e+15, 0.0, 94698.85]) # Reaction 436 reaction('P-C3H4 + CH3 <=> C4H6 + H', [8.940000e+07, 1.14, 12380.5]) # Reaction 437 reaction('A-C3H4 + CH3 <=> C4H6 + H', [2.830000e+08, 1.06, 11161.57]) # Reaction 438 reaction('C4H6 + H <=> N-C4H5 + H2', [1.330000e+06, 2.53, 12239.48]) # Reaction 439 reaction('C4H6 + H <=> I-C4H5 + H2', [6.650000e+05, 2.53, 9239.96]) # Reaction 440 reaction('N-C4H5 + OH <=> C4H6 + O', [2.200000e+11, 0.0, 0.0]) # Reaction 441 reaction('C4H6 + O <=> I-C4H5 + OH', [7.500000e+06, 1.9, 3740.44]) # Reaction 442 reaction('C4H6 + OH <=> N-C4H5 + H2O', [6.200000e+06, 2.0, 3429.73]) # Reaction 443 reaction('C4H6 + OH <=> I-C4H5 + H2O', [3.100000e+06, 2.0, 430.21]) # Reaction 444 reaction('C4H6 + CH3 <=> N-C4H5 + CH4', [2.000000e+14, 0.0, 22834.61]) # Reaction 445 reaction('C4H6 + CH3 <=> I-C4H5 + CH4', [1.000000e+14, 0.0, 19799.24]) # Reaction 446 reaction('C4H6 + C2H3 <=> N-C4H5 + C2H4', [5.000000e+13, 0.0, 22834.61]) # Reaction 447 reaction('C4H6 + C2H3 <=> I-C4H5 + C2H4', [2.500000e+13, 0.0, 19799.24]) # Reaction 448 reaction('C4H6 + O => A-C3H5 + CO + H', [7.660000e+09, 0.88, 1140.06]) # Reaction 449 reaction('C4H6 + O <=> P-C3H4 + CH2O', [7.150000e+04, 2.47, 929.73]) # Reaction 450 reaction('C4H6 + O <=> A-C3H5 + HCO', [3.890000e+08, 1.36, 886.71]) # Reaction 451 reaction('C4H6 + OH <=> A-C3H5 + CH2O', [3.750000e+36, -7.8, 7060.23]) # Reaction 452 reaction('C4H4 + H <=> N-C4H5', [1.300000e+51, -11.92, 16500.96]) # Reaction 453 reaction('C4H4 + H <=> I-C4H5', [4.900000e+51, -11.92, 17700.76]) # Reaction 454 reaction('N-C4H5 <=> I-C4H5', [1.500000e+67, -16.89, 59106.12]) # Reaction 455 reaction('N-C4H5 + H <=> I-C4H5 + H', [3.100000e+26, -3.35, 17423.52]) # Reaction 456 reaction('N-C4H5 + H <=> C4H4 + H2', [1.500000e+13, 0.0, 0.0]) # Reaction 457 reaction('N-C4H5 + OH <=> C4H4 + H2O', [2.000000e+12, 0.0, 0.0]) # Reaction 458 reaction('N-C4H5 + HCO <=> C4H6 + CO', [5.000000e+12, 0.0, 0.0]) # Reaction 459 reaction('N-C4H5 + H2O2 <=> C4H6 + HO2', [1.210000e+10, 0.0, -595.12]) # Reaction 460 reaction('N-C4H5 + HO2 <=> C4H6 + O2', [6.000000e+11, 0.0, 0.0]) # Reaction 461 reaction('N-C4H5 + O <=> A-C3H5 + CO', [1.030000e+13, 0.21, -427.82]) # Reaction 462 reaction('N-C4H5 + O2 <=> C4H4 + HO2', [1.340000e+06, 1.61, -384.8]) # Reaction 463 reaction('N-C4H5 + O2 => A-C3H5 + CO + O', [3.030000e+11, 0.29, 11.95]) # Reaction 464 reaction('N-C4H5 + O2 <=> HCO + C2H3CHO', [4.580000e+16, -1.39, 1015.77]) # Reaction 465 reaction('I-C4H5 + H <=> C4H4 + H2', [3.000000e+13, 0.0, 0.0]) # Reaction 466 reaction('I-C4H5 + H <=> C3H3 + CH3', [2.000000e+13, 0.0, 2000.48]) # Reaction 467 reaction('I-C4H5 + OH <=> C4H4 + H2O', [4.000000e+12, 0.0, 0.0]) # Reaction 468 reaction('I-C4H5 + HCO <=> C4H6 + CO', [5.000000e+12, 0.0, 0.0]) # Reaction 469 reaction('I-C4H5 + HO2 <=> C4H6 + O2', [6.000000e+11, 0.0, 0.0]) # Reaction 470 reaction('I-C4H5 + H2O2 <=> C4H6 + HO2', [1.210000e+10, 0.0, -595.12]) # Reaction 471 reaction('I-C4H5 + O2 <=> CH2CO + CH2CHO', [2.160000e+10, 0.0, 2500.0]) # Reaction 472 reaction('I-C4H5 + O <=> C3H3 + CH2O', [3.170000e+13, 0.03, -394.36]) # Reaction 473 reaction('N-C4H5 + C2H3 <=> A1 + H2', [1.840000e-13, 7.07, -3611.38]) # Reaction 474 reaction('C7H15 => C5H11 + C2H4', [1.890000e+12, 0.02, 27784.42]) # Reaction 475 reaction('C7H15 => P-C4H9 + C3H6', [7.730000e+18, -1.75, 31974.19]) # Reaction 476 reaction('C7H15 => N-C3H7 + P-C4H8', [2.530000e+18, -1.65, 31682.6]) # Reaction 477 reaction('C7H15 => C2H5 + C5H10', [2.490000e+16, -1.18, 29517.21]) # Reaction 478 reaction('C7H15 => C7H14 + H', [1.410000e+15, -0.53, 37409.18]) # Reaction 479 reaction('C7H14 + H => C7H15', [6.660000e+11, 0.45, 2014.82]) # Reaction 480 reaction('C7H15 + HO2 => C7H15O + OH', [7.000000e+12, 0.0, -999.04]) # Reaction 481 reaction('C7H15 + CH3O2 => C7H15O + CH3O', [7.000000e+12, 0.0, -999.04]) # Reaction 482 reaction('C7H15O => C3H7CHO + N-C3H7', [6.180000e+16, -1.36, 18518.16]) # Reaction 483 reaction('C7H15O => C2H5 + HCO + P-C4H9', [2.230000e+15, -0.7, 18606.6]) # Reaction 484 reaction('C7H15O => CH3CHO + C5H11', [8.920000e+19, -2.03, 21003.82]) # Reaction 485 reaction('C7H14 => C4H7 + N-C3H7', [2.500000e+16, 0.0, 71000.0]) # Reaction 486 reaction('C7H14 => P-C4H9 + A-C3H5', [2.500000e+16, 0.0, 71000.0]) # Reaction 487 reaction('C7H14 + OH => CH3CHO + C5H11', [9.870000e+22, -3.62, 2903.92]) # Reaction 488 reaction('C7H14 + OH => C2H5 + HCO + P-C4H9', [2.070000e+16, -1.65, -1823.61]) # Reaction 489 reaction('C5H11 => C2H4 + N-C3H7', [7.460000e+21, -2.61, 32026.77]) # Reaction 490 reaction('C5H11 => H + C5H10', [8.460000e+14, -0.47, 37617.11]) # Reaction 491 reaction('C5H10 + H => C5H11', [7.100000e+12, 0.12, 1460.33]) # Reaction 492 reaction('C5H11 => C3H6 + C2H5', [3.150000e-19, 8.84, 7105.64]) # Reaction 493 reaction('C5H10 => C2H5 + A-C3H5', [9.170000e+20, -1.63, 73989.01]) # Reaction 494 reaction('C5H10 + H => C5H9 + H2', [2.800000e+13, 0.0, 4000.96]) # Reaction 495 reaction('C5H10 + O => C5H9 + OH', [2.540000e+05, 2.56, -1130.5]) # Reaction 496 reaction('C5H10 + OH => C5H9 + H2O', [5.120000e+06, 2.0, -298.76]) # Reaction 497 reaction('C5H9 => A-C3H5 + C2H4', [2.500000e+13, 0.0, 45000.0]) # Reaction 498 reaction('C5H9 => C4H6 + CH3', [1.340000e+15, -0.52, 38319.79]) # Reaction 499 reaction('P-C4H9 => P-C4H8 + H', [8.610000e+17, -1.4, 38910.13]) # Reaction 500 reaction('P-C4H8 + H => P-C4H9', [7.680000e+12, 0.11, 1479.45]) # Reaction 501 reaction('P-C4H9 => C2H5 + C2H4', [8.390000e+14, -0.64, 26904.88]) # Reaction 502 reaction('P-C4H9 => C3H6 + CH3', [1.000000e+31, -5.43, 42507.17]) # Reaction 503 reaction('P-C4H8 => A-C3H5 + CH3', [5.000000e+15, 0.0, 70999.04]) # Reaction 504 reaction('P-C4H8 + H => C4H7 + H2', [5.000000e+13, 0.0, 3900.57]) # Reaction 505 reaction('P-C4H8 + OH => C4H7 + H2O', [2.250000e+13, 0.0, 2217.97]) # Reaction 506 reaction('P-C4H8 + O2 => C4H7 + HO2', [2.700000e+13, 0.0, 33200.29]) # Reaction 507 reaction('P-C4H8 + HO2 => C4H7 + H2O2', [1.400000e+12, 0.0, 14899.62]) # Reaction 508 reaction('P-C4H8 + CH3 => C4H7 + CH4', [1.000000e+11, 0.0, 7299.24]) # Reaction 509 reaction('C4H7 + H => P-C4H8', [5.000000e+13, 0.0, 0.0]) # Reaction 510 reaction('C4H7 + HO2 => P-C4H8 + O2', [3.000000e+11, 0.0, 0.0]) # Reaction 511 reaction('P-C4H8 + O => CH3CHO + C2H4', [1.300000e+13, 0.0, 850.86]) # Reaction 512 reaction('P-C4H8 + O => C2H5 + CH3 + CO', [1.300000e+13, 0.0, 850.86]) # Reaction 513 reaction('P-C4H8 + O => C3H6 + CH2O', [7.230000e+05, 2.34, -1049.24]) # Reaction 514 reaction('P-C4H8 + O => C2H5 + HCO + T-CH2', [1.300000e+13, 0.0, 850.86]) # Reaction 515 reaction('P-C4H8 + OH => N-C3H7 + CH2O', [1.000000e+12, 0.0, 0.0]) # Reaction 516 reaction('P-C4H8 + OH => C2H6 + CH3 + CO', [5.000000e+11, 0.0, 0.0]) # Reaction 517 reaction('P-C4H8 + OH => C2H5 + CH3 + HCO', [1.000000e+12, 0.0, 0.0]) # Reaction 518 reaction('P-C4H8 + OH => C2H5 + CH3CHO', [1.000000e+12, 0.0, 0.0]) # Reaction 519 reaction('C3H7CHO + H => N-C3H7 + CO + H2', [4.000000e+13, 0.0, 4199.33]) # Reaction 520 reaction('C3H7CHO + OH => N-C3H7 + CO + H2O', [2.690000e+10, 0.76, -339.39]) # Reaction 521 reaction('C3H7CHO + O2 => N-C3H7 + CO + HO2', [2.000000e+13, 0.5, 42201.24]) # Reaction 522 reaction('C3H7CHO + CH3 => N-C3H7 + CO + CH4', [1.700000e+12, 0.0, 8439.29]) # Reaction 523 reaction('C3H7CHO + HO2 => N-C3H7 + CO + H2O2', [2.800000e+12, 0.0, 13599.43]) # Reaction 524 reaction('C4H7 <=> C4H6 + H', [5.010000e+31, -5.9, 38788.24]) # Reaction 525 reaction('C2H4 + C2H3 <=> C4H7', [1.880000e+06, 1.84, 3059.27]) # Reaction 526 reaction('C4H7 + H => C4H6 + H2', [3.160000e+13, 0.0, 0.0]) # Reaction 527 reaction('C4H7 + O2 => C4H6 + HO2', [1.000000e+09, 0.0, 0.0]) # Reaction 528 reaction('C4H7 + CH3 => C4H6 + CH4', [8.000000e+12, 0.0, 0.0]) # Reaction 529 reaction('C4H7 + C2H5 => C4H6 + C2H6', [3.980000e+12, 0.0, 0.0]) # Reaction 530 reaction('C4H7 + A-C3H5 => C4H6 + C3H6', [6.310000e+12, 0.0, 0.0]) # Reaction 531 reaction('C4H7 + HO2 => C4H7O + OH', [7.000000e+12, 0.0, -999.04]) # Reaction 532 reaction('C4H7 + CH3O2 => C4H7O + CH3O', [7.000000e+12, 0.0, -999.04]) # Reaction 533 reaction('C4H7O => CH3CHO + C2H3', [7.940000e+14, 0.0, 19000.96]) # Reaction 534 reaction('C4H7O => C2H3CHO + CH3', [7.940000e+14, 0.0, 19000.96]) # Reaction 535 reaction('N-C3H7 + HO2 => N-C3H7O + OH', [7.000000e+12, 0.0, -999.04]) # Reaction 536 reaction('N-C3H7 + CH3O2 => N-C3H7O + CH3O', [7.000000e+12, 0.0, -999.04]) # Reaction 537 reaction('N-C3H7O => C2H5 + CH2O', [1.390000e+16, -0.87, 19770.55]) # Reaction 538 reaction('N-C3H7O => C2H5 + HCO + H', [2.510000e+14, 0.0, 23401.05]) # Reaction 539 reaction('C4H6 + O => C2H4 + CH2CO', [1.000000e+12, 0.0, 0.0]) # Reaction 540 reaction('C4H6 + OH => C2H5 + CH2CO', [1.000000e+12, 0.0, 0.0]) # Reaction 541 reaction('C4H6 + OH => C2H3 + CH3CHO', [1.000000e+12, 0.0, 0.0]) # Reaction 542 reaction('T-C4H9O => I-C3H7 + HCO + H', [1.780000e+39, -7.3, 37296.85]) # Reaction 543 reaction('T-C4H9O => CH2O + I-C3H7', [7.250000e+39, -7.59, 33467.97]) # Reaction 544 reaction('T-C4H9O => CH3COCH3 + CH3', [3.090000e+13, 0.03, 14070.27]) # Reaction 545 reaction('T-C4H9 => C3H6 + CH3', [1.340000e+71, -17.29, 62915.87]) # Reaction 546 reaction('T-C4H9 => H + I-C4H8', [7.840000e+45, -9.64, 54115.68]) # Reaction 547 reaction('I-C4H8 + H => T-C4H9', [2.140000e+41, -8.43, 14469.41]) # Reaction 548 reaction('T-C4H9 + HO2 => T-C4H9O + OH', [7.000000e+12, 0.0, -999.04]) # Reaction 549 reaction('T-C4H9 + CH3O2 => T-C4H9O + CH3O', [7.000000e+12, 0.0, -999.04]) # Reaction 550 reaction('I-C4H8 => T-C3H5 + CH3', [1.920000e+66, -14.22, 128099.9]) # Reaction 551 reaction('I-C4H8 <=> I-C4H7 + H', [3.070000e+55, -11.49, 114299.71]) # Reaction 552 reaction('I-C4H8 + H => C3H6 + CH3', [5.680000e+33, -5.72, 20000.0]) # Reaction 553 reaction('I-C4H8 + H <=> I-C4H7 + H2', [3.400000e+05, 2.5, 2492.83]) # Reaction 554 reaction('I-C4H8 + O => I-C4H7 + OH', [1.210000e+11, 0.7, 7633.84]) # Reaction 555 reaction('I-C4H8 + OH => I-C4H7 + H2O', [5.200000e+06, 2.0, -298.76]) # Reaction 556 reaction('I-C4H8 + CH3 => I-C4H7 + CH4', [4.420000e+00, 3.5, 5674.0]) # Reaction 557 reaction('I-C4H8 + HO2 => I-C4H7 + H2O2', [1.930000e+04, 2.6, 13910.13]) # Reaction 558 reaction('I-C4H8 + CH3O2 => I-C4H7 + CH3O + OH', [1.930000e+04, 2.6, 13910.13]) # Reaction 559 reaction('I-C4H8 + O => I-C3H7 + HCO', [1.580000e+07, 1.76, -1216.54]) # Reaction 560 reaction('I-C4H8 + O => CH2CO + 2 CH3', [3.330000e+07, 1.76, 76.48]) # Reaction 561 reaction('I-C4H7O => T-C3H5 + CH2O', [1.010000e+18, -1.45, 30841.3]) # Reaction 562 reaction('I-C4H7O => I-C3H5CHO + H', [5.000000e+13, 0.0, 29098.95]) # Reaction 563 reaction('I-C4H7O + O2 => I-C3H5CHO + HO2', [3.000000e+10, 0.0, 1649.14]) # Reaction 564 reaction('I-C4H7 => A-C3H4 + CH3', [1.230000e+47, -9.74, 74259.08]) # Reaction 565 reaction('I-C4H7 + HO2 => I-C4H7O + OH', [3.100000e+13, 0.0, 0.0]) # Reaction 566 reaction('I-C4H7 + O => I-C4H7O', [6.030000e+13, 0.0, 0.0]) # Reaction 567 reaction('I-C4H7 + O2 => I-C3H5CHO + OH', [2.470000e+13, -0.45, 23021.03]) # Reaction 568 reaction('I-C4H7 + O2 => CH2CO + CH2O + CH3', [7.140000e+15, -1.21, 21049.24]) # Reaction 569 reaction('I-C4H7 + O2 => A-C3H4 + CH2O + OH', [7.290000e+29, -5.71, 21450.76]) # Reaction 570 reaction('I-C4H7 + CH3O2 => I-C4H7O + CH3O', [7.000000e+12, 0.0, -999.04]) # Reaction 571 reaction('I-C3H5CHO + H => T-C3H5 + CO + H2', [2.600000e+12, 0.0, 2600.38]) # Reaction 572 reaction('I-C3H5CHO + O => T-C3H5 + CO + OH', [7.180000e+12, 0.0, 1388.62]) # Reaction 573 reaction('I-C3H5CHO + OH => T-C3H5 + CO + H2O', [2.690000e+10, 0.76, -339.39]) # Reaction 574 reaction('I-C3H5CHO + HO2 => T-C3H5 + CO + H2O2', [1.000000e+12, 0.0, 11919.22]) # Reaction 575 reaction('I-C3H5CHO + CH3 => T-C3H5 + CO + CH4', [3.980000e+12, 0.0, 8699.81]) # Reaction 576 reaction('I-C3H7 => C2H4 + CH3', [9.770000e-09, 5.36, 17029.16]) # Reaction 577 reaction('I-C3H7 => C3H6 + H', [9.880000e+18, -1.59, 40348.95]) # Reaction 578 reaction('C3H6 + H => I-C3H7', [1.730000e+13, 0.03, 1797.32]) # Reaction 579 reaction('C2H4 + CH3 => I-C3H7', [4.100000e+11, 0.0, 7203.63]) # Reaction 580 reaction('I-C3H7 + O2 => C3H6 + HO2', [7.650000e+11, -0.06, 5145.79]) # Reaction 581 reaction('CH3COCH3 + H => CH2CO + CH3 + H2', [5.630000e+07, 2.0, 7700.76]) # Reaction 582 reaction('CH3COCH3 + O => CH2CO + CH3 + OH', [1.130000e+14, 0.0, 7848.95]) # Reaction 583 reaction('CH3COCH3 + OH => CH2CO + CH3 + H2O', [1.050000e+10, 0.97, 1587.0]) # Reaction 584 reaction('CH3COCH3 + HO2 => CH2CO + CH3 + H2O2', [1.700000e+13, 0.0, 20461.28]) # Reaction 585 reaction('C5H4CH2 + H <=> A1 + H', [1.500000e+12, 0.5, 2000.48]) # Reaction 586 reaction('N-C4H5 + C2H2 <=> C5H4CH2 + H', [4.620000e+15, -0.89, 9141.97]) # Reaction 587 reaction('I-C4H5 + C2H2 <=> C5H4CH2 + H', [6.800000e+24, -3.45, 20337.0]) # Reaction 588 reaction('C5H4CH2 <=> A1', [1.450000e+45, -8.9, 97002.87]) # Reaction 589 reaction('C5H4CH2 <=> A1- + H', [2.240000e+68, -14.65, 142576.48]) # Reaction 590 reaction('N-C4H3 + C2H2 <=> A1-', [9.600000e+70, -17.77, 31300.19]) # Reaction 591 reaction('N-C4H5 + C2H2 <=> A1 + H', [1.380000e+16, -1.0, 8900.57]) # Reaction 592 reaction('I-C4H5 + C2H2 <=> A1 + H', [1.670000e+23, -3.3, 24959.37]) # Reaction 593 reaction('A-C3H5 + C3H3 => C5H4CH2 + 2 H', [2.160000e+39, -7.74, 23852.77]) # Reaction 594 reaction('2 C3H3 <=> C5H4CH2', [8.250000e+46, -10.1, 16959.85]) # Reaction 595 reaction('2 C3H3 <=> A1', [1.070000e+45, -9.57, 17014.82]) # Reaction 596 reaction('2 C3H3 <=> A1- + H', [5.770000e+37, -7.0, 31505.74]) # Reaction 597 reaction('A1- + C2H2 <=> A1C2H2', [3.290000e+06, 2.05, 3162.05]) # Reaction 598 reaction('A1- + C2H3 <=> A1C2H3', [6.000000e+12, 0.0, 0.0]) # Reaction 599 reaction('A1 + C2H3 <=> A1C2H3 + H', [1.870000e+07, 1.47, 5532.98]) # Reaction 600 reaction('A1- + C2H4 <=> A1 + C2H3', [9.450000e-03, 4.47, 4471.8]) # Reaction 601 reaction('A1C2H <=> A1C2H* + H', [4.300000e+60, -12.48, 148085.56]) # Reaction 602 reaction('A1C2H + H <=> A1C2H* + H2', [1.290000e+08, 1.89, 17578.87]) # Reaction 603 reaction('A1C2H + OH <=> A1C2H* + H2O', [7.800000e+03, 2.68, 733.75]) # Reaction 604 reaction('A1C2H2 <=> A1C2H3*', [5.900000e+10, 0.54, 27566.92]) # Reaction 605 reaction('A1C2H2 <=> A1C2H + H', [7.180000e+10, 1.02, 38673.52]) # Reaction 606 reaction('A1C2H2 + H <=> A1C2H + H2', [1.650000e+11, 0.49, 10630.98]) # Reaction 607 reaction('A1C2H2 + OH <=> A1C2H + H2O', [2.500000e+12, 0.0, 0.0]) # Reaction 608 reaction('A1C2H3 <=> A1C2H3* + H', [4.300000e+60, -12.48, 148085.56]) # Reaction 609 reaction('A1C2H3 + H <=> A1C2H3* + H2', [5.230000e+06, 2.36, 16916.83]) # Reaction 610 reaction('A1C2H3 + OH <=> A1C2H3* + H2O', [1.340000e+02, 3.33, 1455.54]) # Reaction 611 reaction('A1C2H3 <=> A1C2H2 + H', [3.010000e+14, 0.34, 111254.78]) # Reaction 612 reaction('A1C2H3 + H <=> A1C2H2 + H2', [6.350000e+04, 2.75, 11649.14]) # Reaction 613 reaction('A1C2H3 + OH <=> A1C2H2 + H2O', [6.550000e-02, 4.2, -860.42]) # Reaction 614 reaction('A1C2H* + C2H2 <=> A2-', [1.340000e+04, 2.5, 1283.46]) # Reaction 615 reaction('A1C2H3* + C2H2 <=> A2 + H', [3.020000e+03, 2.55, 3181.17]) # Reaction 616 reaction('A1C2H2 + C2H2 <=> A2 + H', [3.800000e+07, 1.62, 4438.34]) # Reaction 617 reaction('A1C2H + C2H3 <=> A2 + H', [3.600000e+17, -1.44, 15757.65]) # Reaction 618 reaction('A1C2H* + C2H4 <=> A2 + H', [3.620000e+28, -4.24, 23864.72]) # Reaction 619 reaction('A1- + C4H4 <=> A2 + H', [1.260000e+04, 2.61, 1434.03]) # Reaction 620 reaction('A2 <=> A2- + H', [8.600000e+60, -12.48, 148076.0]) # Reaction 621 reaction('A2 + H <=> A2- + H2', [2.650000e+08, 1.87, 17096.08]) # Reaction 622 reaction('A2 + OH <=> A2- + H2O', [9.630000e+02, 3.02, 4373.8]) # Reaction 623 reaction('A2 <=> A2* + H', [8.600000e+60, -12.48, 148076.0]) # Reaction 624 reaction('A2 + H <=> A2* + H2', [2.650000e+08, 1.87, 17096.08]) # Reaction 625 reaction('A2 + OH <=> A2* + H2O', [9.630000e+02, 3.02, 4373.8]) # Reaction 626 reaction('A2- + C2H2 <=> A2C2H2A', [1.280000e+06, 2.05, 1931.17]) # Reaction 627 reaction('A2* + C2H2 <=> A2C2H2B', [3.290000e+06, 2.05, 3162.05]) # Reaction 628 reaction('A2- + C2H3 <=> A2C2H2A + H', [6.000000e+12, 0.0, 0.0]) # Reaction 629 reaction('A2* + C2H3 <=> A2C2H2B + H', [6.000000e+12, 0.0, 0.0]) # Reaction 630 reaction('A2 + C2H3 <=> A2C2H2A + H2', [7.200000e+17, -1.44, 15757.65]) # Reaction 631 reaction('A2 + C2H3 <=> A2C2H2B + H2', [7.200000e+17, -1.44, 15757.65]) # Reaction 632 reaction('A2- + C2H4 <=> A2C2H2A + H2', [3.620000e+28, -4.24, 23864.72]) # Reaction 633 reaction('A2* + C2H4 <=> A2C2H2B + H2', [3.620000e+28, -4.24, 23864.72]) # Reaction 634 reaction('A2C2H2A <=> A2C2HA + H', [7.180000e+10, 1.02, 38673.52]) # Reaction 635 reaction('A2C2H2A + H <=> A2C2HA + H2', [1.650000e+11, 0.49, 10630.98]) # Reaction 636 reaction('A2C2H2A + OH <=> A2C2HA + H2O', [2.500000e+12, 0.0, 0.0]) # Reaction 637 reaction('A2C2H2B <=> A2C2HB + H', [7.180000e+10, 1.02, 38673.52]) # Reaction 638 reaction('A2C2H2B + H <=> A2C2HB + H2', [1.650000e+11, 0.49, 10630.98]) # Reaction 639 reaction('A2C2H2B + OH <=> A2C2HB + H2O', [2.500000e+12, 0.0, 0.0]) # Reaction 640 reaction('A2C2HA <=> A2C2HA* + H', [2.150000e+60, -12.48, 148076.0]) # Reaction 641 reaction('A2C2HA + H <=> A2C2HA* + H2', [1.320000e+08, 1.88, 16821.22]) # Reaction 642 reaction('A2C2HA + OH <=> A2C2HA* + H2O', [6.720000e+01, 3.33, 1455.54]) # Reaction 643 reaction('A2C2HB <=> A2C2HB* + H', [2.150000e+60, -12.48, 148076.0]) # Reaction 644 reaction('A2C2HB + H <=> A2C2HB* + H2', [1.320000e+08, 1.88, 16821.22]) # Reaction 645 reaction('A2C2HB + OH <=> A2C2HB* + H2O', [6.720000e+01, 3.33, 1455.54]) # Reaction 646 reaction('A2C2H2A <=> A2R5 + H', [2.880000e+11, 0.23, 17026.77]) # Reaction 647 reaction('A2C2HA + H <=> A2R5 + H', [3.520000e+12, 0.0, 13360.42]) # Reaction 648 reaction('A2R5 <=> A2R5- + H', [8.600000e+60, -12.48, 148076.0]) # Reaction 649 reaction('A2R5 + H <=> A2R5- + H2', [2.650000e+08, 1.87, 17096.08]) # Reaction 650 reaction('A2R5 + OH <=> A2R5- + H2O', [9.630000e+02, 3.02, 4373.8]) # Reaction 651 reaction('A2R5- + C2H2 <=> A2R5C2H2', [3.290000e+06, 2.05, 3162.05]) # Reaction 652 reaction('A2R5- + C2H3 <=> A2R5C2H2 + H', [6.000000e+12, 0.0, 0.0]) # Reaction 653 reaction('A2R5 + C2H3 <=> A2R5C2H2 + H2', [3.600000e+17, -1.44, 15757.65]) # Reaction 654 reaction('A2R5- + C2H4 <=> A2R5C2H2 + H2', [3.620000e+28, -4.24, 23864.72]) # Reaction 655 reaction('A2R5C2H <=> A2R5C2H* + H', [2.150000e+60, -12.48, 148076.0]) # Reaction 656 reaction('A2R5C2H + H <=> A2R5C2H* + H2', [1.320000e+08, 1.88, 16821.22]) # Reaction 657 reaction('A2R5C2H + OH <=> A2R5C2H* + H2O', [6.720000e+01, 3.33, 1455.54]) # Reaction 658 reaction('A2R5C2H2 <=> A2R5C2H + H', [7.180000e+10, 1.02, 38673.52]) # Reaction 659 reaction('A2R5C2H2 + H <=> A2R5C2H + H2', [1.650000e+11, 0.49, 10630.98]) # Reaction 660 reaction('A2R5C2H2 + OH <=> A2R5C2H + H2O', [2.500000e+12, 0.0, 0.0]) # Reaction 661 reaction('A1 + A1- <=> P2 + H', [9.550000e+11, 0.0, 2167.78]) # Reaction 662 reaction('2 A1- <=> P2', [1.390000e+13, 0.0, 112.33]) # Reaction 663 reaction('P2 <=> P2- + H', [8.600000e+60, -12.48, 148076.0]) # Reaction 664 reaction('P2 + H <=> P2- + H2', [4.010000e+08, 1.8, 16352.77]) # Reaction 665 reaction('P2 + OH <=> P2- + H2O', [2.690000e+02, 3.33, 1455.54]) # Reaction 666 reaction('A2C2HA* + C2H2 <=> A3-', [1.340000e+04, 2.5, 1283.46]) # Reaction 667 reaction('A2C2HB* + C2H2 <=> A3-', [1.340000e+04, 2.5, 1283.46]) # Reaction 668 reaction('A2C2H2A + C2H2 <=> A3 + H', [3.800000e+07, 1.62, 4438.34]) # Reaction 669 reaction('A2C2H2B + C2H2 <=> A3 + H', [3.800000e+07, 1.62, 4438.34]) # Reaction 670 reaction('P2- + C2H2 <=> A3 + H', [3.290000e+06, 2.05, 3162.05]) # Reaction 671 reaction('A2C2HA* + C2H3 <=> A3', [6.000000e+12, 0.0, 0.0]) # Reaction 672 reaction('A2C2HB* + C2H3 <=> A3', [6.000000e+12, 0.0, 0.0]) # Reaction 673 reaction('A2C2HA + C2H3 <=> A3 + H', [1.800000e+17, -1.44, 15757.65]) # Reaction 674 reaction('A2C2HB + C2H3 <=> A3 + H', [1.800000e+17, -1.44, 15757.65]) # Reaction 675 reaction('A2C2HA* + C2H4 <=> A3 + H', [3.620000e+28, -4.24, 23864.72]) # Reaction 676 reaction('A2C2HB* + C2H4 <=> A3 + H', [3.620000e+28, -4.24, 23864.72]) # Reaction 677 reaction('A2- + C4H4 <=> A3 + H', [1.260000e+04, 2.61, 1434.03]) # Reaction 678 reaction('A2* + C4H4 <=> A3 + H', [1.260000e+04, 2.61, 1434.03]) # Reaction 679 reaction('A1C2H + A1- <=> A3 + H', [3.180000e+11, 0.0, 2167.78]) # Reaction 680 reaction('A1C2H* + A1 <=> A3 + H', [2.390000e+11, 0.0, 2167.78]) # Reaction 681 reaction('A1C2H* + A1- <=> A3', [1.390000e+13, 0.0, 112.33]) # Reaction 682 reaction('A3 <=> A3- + H', [4.300000e+60, -12.48, 148076.0]) # Reaction 683 reaction('A3 + H <=> A3- + H2', [2.000000e+08, 1.8, 16352.77]) # Reaction 684 reaction('A3 + OH <=> A3- + H2O', [1.340000e+02, 3.33, 1455.54]) # Reaction 685 reaction('A3 <=> A3* + H', [4.300000e+60, -12.48, 148076.0]) # Reaction 686 reaction('A3 + H <=> A3* + H2', [2.650000e+08, 1.87, 17096.08]) # Reaction 687 reaction('A3 + OH <=> A3* + H2O', [9.630000e+02, 3.02, 4373.8]) # Reaction 688 reaction('A3- <=> A2R5- + C2H2', [1.300000e+11, 1.08, 70399.14]) # Reaction 689 reaction('A2R5C2H* + C2H2 <=> A3R5-', [1.340000e+04, 2.5, 1283.46]) # Reaction 690 reaction('A2R5C2H2 + C2H2 <=> A3R5 + H', [3.800000e+07, 1.62, 4438.34]) # Reaction 691 reaction('A3* + C2H2 <=> A3R5 + H', [1.280000e+06, 2.05, 1931.17]) # Reaction 692 reaction('A3* + C2H3 <=> A3R5 + H2', [6.000000e+12, 0.0, 0.0]) # Reaction 693 reaction('A2R5- + C4H4 <=> A3R5 + H', [1.260000e+04, 2.61, 1434.03]) # Reaction 694 reaction('A3R5 <=> A3R5- + H', [2.150000e+60, -12.48, 148076.0]) # Reaction 695 reaction('A3R5 + H <=> A3R5- + H2', [2.650000e+08, 1.87, 17096.08]) # Reaction 696 reaction('A3R5 + OH <=> A3R5- + H2O', [9.630000e+02, 3.02, 4373.8]) # Reaction 697 reaction('A3- + C2H2 <=> A4 + H', [1.280000e+06, 2.05, 1931.17]) # Reaction 698 reaction('A4 <=> A4- + H', [1.720000e+60, -12.48, 148076.0]) # Reaction 699 reaction('A4 + H <=> A4- + H2', [5.300000e+08, 1.87, 17096.08]) # Reaction 700 reaction('A4 + OH <=> A4- + H2O', [1.930000e+03, 3.02, 4373.8]) # Reaction 701 reaction('A4- + C2H2 <=> A4R5 + H', [1.280000e+06, 2.05, 1931.17]) # Reaction 702 reaction('A3R5- + C2H2 <=> A4R5 + H', [1.280000e+06, 2.05, 1931.17]) # Reaction 703 reaction('A2 + A1- => FLTN + H + H2', [6.370000e+11, 0.0, 2167.78]) # Reaction 704 reaction('A2- + A1 => FLTN + H + H2', [9.550000e+11, 0.0, 2167.78]) # Reaction 705 reaction('A2- + A1- => FLTN + H2', [1.390000e+13, 0.0, 112.33]) # Reaction 706 reaction('C5H6 <=> C5H5 + H', [1.730000e+68, -15.16, 116371.89]) # Reaction 707 reaction('C5H6 + H <=> C5H5 + H2', [2.800000e+13, 0.0, 2258.6]) # Reaction 708 reaction('C5H6 + H <=> A-C3H5 + C2H2', [3.300000e+14, 0.0, 12344.65]) # Reaction 709 reaction('C5H6 + H => S-C3H5 + C2H2', [3.300000e+14, 0.0, 12344.65]) # Reaction 710 reaction('C5H6 + O <=> C5H5 + OH', [4.770000e+04, 2.71, 1106.6]) # Reaction 711 reaction('C5H6 + OH <=> C5H5 + H2O', [3.080000e+06, 2.0, 0.0]) # Reaction 712 reaction('C5H6 + O2 <=> C5H5 + HO2', [1.000000e+14, 0.0, 37151.05]) # Reaction 713 reaction('C5H6 + HO2 <=> C5H5 + H2O2', [1.100000e+04, 2.6, 12899.14]) # Reaction 714 reaction('C5H6 + CH3 <=> C5H5 + CH4', [1.800000e-01, 4.0, 0.0]) # Reaction 715 reaction('C5H6 + C2H3 <=> C5H5 + C2H4', [6.000000e+12, 0.0, 0.0]) # Reaction 716 reaction('C5H6 + N-C4H5 <=> C5H5 + C4H6', [6.000000e+12, 0.0, 0.0]) # Reaction 717 reaction('C5H6 + O <=> T-C5H5O + H', [7.660000e+09, 0.88, 1140.06]) # Reaction 718 reaction('C5H6 + O => C2H4 + C2H2 + CO', [3.890000e+08, 1.36, 886.71]) # Reaction 719 reaction('C5H6 + OH => C4H6 + HCO', [3.750000e+36, -7.8, 7060.23]) # Reaction 720 reaction('C5H6 + OH => C2H4 + C2H2 + HCO', [3.750000e+36, -7.8, 7060.23]) # Reaction 721 reaction('C3H3 + C2H2 <=> C5H5', [6.870000e+55, -12.5, 42065.01]) # Reaction 722 reaction('2 C5H5 => A2 + 2 H', [6.390000e+29, -4.03, 35205.54]) # Reaction 723 reaction('C5H5 + CH3 => C5H4CH2 + 2 H', [4.910000e+31, -4.85, 24772.94]) # Reaction 724 reaction('C5H5 + O <=> C5H4O + H', [7.000000e+13, 0.0, 0.0]) # Reaction 725 reaction('C5H5 + O2 <=> C5H4O + OH', [4.340000e+07, 1.3, 17667.3]) # Reaction 726 reaction('C5H5 + HO2 <=> S-C5H5O + OH', [3.100000e+13, 0.0, 0.0]) # Reaction 727 reaction('C5H5 + OH => S-C5H5O + H', [1.020000e+13, 0.0, 0.0]) # Reaction 728 reaction('S-C5H5O <=> C5H4O + H', [2.000000e+13, 0.0, 30000.0]) # Reaction 729 reaction('T-C5H5O => N-C4H5 + CO', [1.000000e+12, 0.0, 35999.04]) # Reaction 730 reaction('S-C5H5O + H => C5H4O + H2', [6.670000e+12, 0.0, 0.0]) # Reaction 731 reaction('S-C5H5O + O => C5H4O + OH', [3.330000e+12, 0.0, 0.0]) # Reaction 732 reaction('S-C5H5O + OH => C5H4O + H2O', [1.670000e+12, 0.0, 0.0]) # Reaction 733 reaction('S-C5H5O + O2 => C5H4O + HO2', [1.430000e-13, 7.6, -3530.11]) # Reaction 734 reaction('T-C5H5O + H => C5H4O + H2', [1.330000e+12, 0.0, 0.0]) # Reaction 735 reaction('T-C5H5O + O2 => C5H4O + HO2', [1.280000e+07, 1.02, -2033.94]) # Reaction 736 reaction('C5H4O => 2 C2H2 + CO', [3.370000e+44, -8.0, 108675.91]) # Reaction 737 reaction('C5H4O + H <=> T-C5H5O', [2.740000e+09, 1.46, 1355.16]) # Reaction 738 reaction('C5H4O + O <=> C4H4 + CO2', [1.000000e+13, 0.0, 2000.48]) # Reaction 739 reaction('C5H5 + C5H6 => C9H8 + CH3', [7.860000e-01, 3.07, 5728.97]) # Reaction 740 reaction('A1- + C3H3 <=> C9H8', [1.000000e+13, 0.0, 0.0]) # Reaction 741 reaction('C9H8 <=> C9H7 + H', [1.730000e+68, -15.16, 116371.89]) # Reaction 742 reaction('C9H8 + H <=> C9H7 + H2', [2.800000e+13, 0.0, 2258.6]) # Reaction 743 reaction('A1CH2 + C2H2 <=> C9H8 + H', [3.160000e+04, 2.48, 11061.19]) # Reaction 744 reaction('C9H8 + O <=> C9H7 + OH', [4.770000e+04, 2.71, 1106.6]) # Reaction 745 reaction('C9H8 + OH <=> C9H7 + H2O', [3.080000e+06, 2.0, 0.0]) # Reaction 746 reaction('C9H8 + O2 <=> C9H7 + HO2', [1.000000e+14, 0.0, 37151.05]) # Reaction 747 reaction('C9H8 + HO2 <=> C9H7 + H2O2', [1.100000e+04, 2.6, 12899.14]) # Reaction 748 reaction('C9H8 + CH3 <=> C9H7 + CH4', [1.800000e-01, 4.0, 0.0]) # Reaction 749 reaction('C9H8 + O => C9H6O + 2 H', [3.830000e+09, 0.88, 1140.06]) # Reaction 750 reaction('C9H8 + OH => O-C6H4 + C2H4 + HCO', [1.880000e+36, -7.8, 7060.23]) # Reaction 751 reaction('C9H7 + C5H5 => A3 + 2 H', [2.560000e+29, -4.03, 35205.54]) # Reaction 752 reaction('C9H7 + CH3 => A2 + 2 H', [1.960000e+31, -4.85, 24772.94]) # Reaction 753 reaction('C9H7 + O <=> C9H6O + H', [2.800000e+13, 0.0, 0.0]) # Reaction 754 reaction('C9H7 + O2 <=> C9H6O + OH', [1.740000e+07, 1.3, 17667.3]) # Reaction 755 reaction('C9H7 + HO2 => C9H6O + H2O', [1.240000e+13, 0.0, 0.0]) # Reaction 756 reaction('C9H7 + OH => C9H6O + 2 H', [4.080000e+12, 0.0, 0.0]) # Reaction 757 reaction('C9H7 + C3H3 => A2R5 + 2 H', [4.320000e+39, -7.74, 23852.77]) # Reaction 758 reaction('C9H6O => O-C6H4 + C2H2 + CO', [3.370000e+44, -8.0, 108675.91]) # Reaction 759 reaction('C9H6O + H => A1C2H3* + CO', [1.370000e+09, 1.46, 1355.16]) # Reaction 760 reaction('A1CH3 + H <=> A1 + CH3', [2.310000e+06, 2.17, 4163.48]) # Reaction 761 reaction('A1CH3 <=> A1CH2 + H', [1.560000e+13, 0.68, 89206.5]) # Reaction 762 reaction('A1CH3 <=> A1- + CH3', [4.350000e+22, -1.73, 104208.89]) # Reaction 763 reaction('A1CH2 + H <=> A1- + CH3', [5.830000e+67, -14.15, 68329.35]) # Reaction 764 reaction('A1CH2 <=> C5H5 + C2H2', [8.200000e+14, 0.0, 80676.39]) # Reaction 765 reaction('A1CH3 + O2 <=> A1CH2 + HO2', [2.180000e+07, 2.5, 46044.46]) # Reaction 766 reaction('A1CH3 + H <=> A1CH2 + H2', [6.470000e+00, 3.98, 3384.32]) # Reaction 767 reaction('A1CH3 + OH <=> A1CH2 + H2O', [1.770000e+05, 2.39, -602.29]) # Reaction 768 reaction('A1CH3 + OH <=> A1OH + CH3', [7.830000e+02, 2.88, 3221.8]) # Reaction 769 reaction('A1CH3 + OH <=> HOA1CH3 + H', [3.140000e+01, 3.37, 4720.36]) # Reaction 770 reaction('A1CH3 + O <=> A1CH2 + OH', [1.180000e+00, 4.09, 2545.41]) # Reaction 771 reaction('A1CH3 + O <=> HOA1CH3', [1.690000e+12, 0.3, 4402.49]) # Reaction 772 reaction('A1CH3 + O <=> OA1CH3 + H', [1.660000e+07, 1.8, 3974.67]) # Reaction 773 reaction('A1CH3 + CH3 <=> A1CH2 + CH4', [4.220000e+14, 0.0, 22256.21]) # Reaction 774 reaction('A1CH3 + HO2 <=> A1CH2 + H2O2', [9.330000e+04, 2.5, 14684.51]) # Reaction 775 reaction('A1CH3 + A1- <=> A1CH2 + A1', [7.940000e+13, 0.0, 11950.29]) # Reaction 776 reaction('A1CH2 + O <=> A1CH2O', [2.280000e+14, 0.0, 0.0]) # Reaction 777 reaction('A1CH2 + OH <=> A1CH2OH', [2.000000e+13, 0.0, 0.0]) # Reaction 778 reaction('A1CH2 + HO2 <=> A1CH2O + OH', [1.190000e+09, 1.03, -2249.04]) # Reaction 779 reaction('A1CH2 + C3H3 => A2 + 2 H', [4.320000e+39, -7.74, 23852.77]) # Reaction 780 reaction('A1CH2 + O2 <=> A1CHO + OH', [3.760000e+15, -1.55, 11321.7]) # Reaction 781 reaction('A1CH2 + O2 <=> A1O + CH2O', [6.260000e+37, -8.86, 16582.22]) # Reaction 782 falloff_reaction('A1CH2O + H (+ M) <=> A1CH2OH (+ M)', kf=[2.430000e+12, 0.52, 50.19], kf0=[4.660000e+41, -7.44, 14079.83], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.7, T3=100.0, T1=90000.0, T2=10000.0)) # Reaction 783 reaction('A1CH2OH + H <=> A1CH2O + H2', [4.200000e+06, 2.1, 4870.94]) # Reaction 784 reaction('A1CH2OH + O <=> A1CH2O + OH', [1.300000e+05, 2.5, 5000.0]) # Reaction 785 reaction('A1CH2OH + OH <=> A1CH2O + H2O', [6.300000e+06, 2.0, 1500.96]) # Reaction 786 reaction('A1CH2OH + CH3 <=> A1CH2O + CH4', [1.000000e+07, 1.5, 9940.25]) # Reaction 787 reaction('A1- + CH2O <=> A1 + HCO', [8.550000e+04, 2.19, 38.24]) # Reaction 788 reaction('A1CH2O <=> A1CHO + H', [5.260000e+28, -5.08, 22249.04]) # Reaction 789 reaction('A1CH2O <=> A1- + CH2O', [7.210000e+33, -6.21, 36849.9]) # Reaction 790 reaction('A1CH2O <=> A1 + HCO', [2.370000e+32, -6.1, 28809.75]) # Reaction 791 reaction('A1CH2O + H <=> A1CHO + H2', [1.330000e+13, 0.0, 0.0]) # Reaction 792 reaction('A1CH2O + O <=> A1CHO + OH', [6.670000e+12, 0.0, 0.0]) # Reaction 793 reaction('A1CH2O + OH <=> A1CHO + H2O', [3.330000e+12, 0.0, 0.0]) # Reaction 794 reaction('A1CH2O + O2 <=> A1CHO + HO2', [2.850000e-13, 7.6, -3530.11]) # Reaction 795 reaction('A1CHO => A1- + CO + H', [2.100000e+16, 0.0, 81739.96]) # Reaction 796 reaction('A1CHO + H => A1- + CO + H2', [4.090000e+09, 1.16, 2404.4]) # Reaction 797 reaction('A1CHO + O => A1- + CO + OH', [5.840000e+12, 0.0, 1809.27]) # Reaction 798 reaction('A1CHO + OH => A1- + CO + H2O', [2.890000e+08, 1.35, -1572.66]) # Reaction 799 reaction('A1CHO + O2 => A1- + CO + HO2', [1.200000e+05, 2.5, 37554.97]) # Reaction 800 reaction('A1CHO + HO2 => A1- + CO + H2O2', [4.090000e+04, 2.5, 10203.15]) # Reaction 801 reaction('A1CHO + CH3 => A1- + CO + CH4', [3.490000e-08, 6.21, 1630.02]) # Reaction 802 reaction('HOA1CH3 <=> OA1CH3 + H', [1.010000e+71, -15.92, 124789.67]) # Reaction 803 reaction('HOA1CH3 + H <=> OA1CH3 + H2', [1.150000e+14, 0.0, 12397.23]) # Reaction 804 reaction('HOA1CH3 + O <=> OA1CH3 + OH', [2.810000e+13, 0.0, 7351.82]) # Reaction 805 reaction('HOA1CH3 + OH <=> OA1CH3 + H2O', [2.950000e+06, 2.0, -1312.14]) # Reaction 806 reaction('OA1CH3 => C5H4CH2 + CO + H', [2.900000e+10, 0.0, 36424.47]) # Reaction 807 reaction('A1CH3 <=> A1CH3* + H', [8.390000e+60, -12.48, 148085.56]) # Reaction 808 reaction('A1CH3 + H <=> A1CH3* + H2', [3.910000e+08, 1.8, 16352.77]) # Reaction 809 reaction('A1CH3 + O <=> A1CH3* + OH', [2.600000e+13, 0.0, 14698.85]) # Reaction 810 reaction('A1CH3 + OH <=> A1CH3* + H2O', [1.360000e+04, 2.69, 619.02]) # Reaction 811 reaction('A1CH3 + CH3 <=> A1CH3* + CH4', [1.790000e-02, 4.46, 13637.67]) # Reaction 812 reaction('A1CH3* + O <=> OA1CH3', [1.000000e+14, 0.0, 0.0]) # Reaction 813 reaction('A1CH3* + OH <=> OA1CH3 + H', [3.000000e+13, 0.0, 0.0]) # Reaction 814 reaction('A1CH3* + HO2 <=> OA1CH3 + OH', [3.000000e+13, 0.0, 0.0]) # Reaction 815 reaction('A1CH3* + O2 <=> OA1CH3 + O', [8.570000e+20, -2.27, 7189.29]) # Reaction 816 reaction('A1CH3* + O2 => C5H4CH2 + CO2 + H', [2.550000e+13, -0.44, -1649.14]) # Reaction 817 reaction('A1CH3* + O2 => P-C3H4 + C2H3 + 2 CO', [2.550000e+13, -0.44, -1649.14]) # Reaction 818 reaction('A1C2H4 + H <=> A1C2H5', [3.610000e+13, 0.0, 0.0]) # Reaction 819 reaction('A1CH2 + CH3 <=> A1C2H5', [2.000000e+13, 0.0, 0.0]) # Reaction 820 reaction('A1- + C2H5 <=> A1C2H5', [2.000000e+13, 0.0, 0.0]) # Reaction 821 reaction('A1C2H5 + H <=> A1 + C2H5', [2.310000e+06, 2.17, 4163.48]) # Reaction 822 reaction('A1C2H5 + OH <=> A1OH + C2H5', [7.830000e+02, 2.88, 3221.8]) # Reaction 823 reaction('A1C2H5 + H <=> A1C2H4 + H2', [4.830000e-02, 4.71, 6211.76]) # Reaction 824 reaction('A1C2H5 + O <=> A1C2H4 + OH', [1.960000e+00, 4.09, 2545.41]) # Reaction 825 reaction('A1C2H5 + OH <=> A1C2H4 + H2O', [4.470000e+06, 2.01, 365.68]) # Reaction 826 reaction('A1C2H5 + HO2 <=> A1C2H4 + H2O2', [8.030000e+03, 2.6, 13910.13]) # Reaction 827 reaction('A1C2H5 + CH3 <=> A1C2H4 + CH4', [7.530000e-01, 3.65, 7153.44]) # Reaction 828 reaction('A1C2H4 <=> A1- + C2H4', [1.720000e+11, 0.78, 38704.59]) # Reaction 829 reaction('A1C2H4 <=> A1C2H3 + H', [3.790000e+06, 2.08, 32105.64]) # Reaction 830 reaction('A1C2H4 + H <=> A1C2H3 + H2', [1.670000e+12, 0.0, 0.0]) # Reaction 831 reaction('A1C2H4 + OH <=> A1C2H3 + H2O', [2.410000e+13, 0.0, 0.0]) # Reaction 832 reaction('A1C2H4 + CH3 <=> A1C2H3 + CH4', [3.310000e+12, 0.0, -769.6]) # Reaction 833 reaction('A1C2H4 + O2 <=> A1C2H3 + HO2', [3.700000e+16, -1.63, 3417.78]) # Reaction 834 reaction('A1C2H4 + O <=> A1CH2 + CH2O', [3.170000e+13, 0.03, -394.36]) # Reaction 835 reaction('A1C2H4 + O <=> A1CHO + CH3', [3.170000e+13, 0.03, -394.36]) # Reaction 836 reaction('A1C2H4 + HO2 => A1CH2 + CH2O + OH', [7.000000e+12, 0.0, -999.04]) # Reaction 837 reaction('A1C2H4 + O2 => C8H9O2', [4.820000e+36, -8.23, 5167.3]) # Reaction 838 reaction('A1C2H4 + O2 => A1CH2 + HCO + OH', [3.880000e+04, 1.84, -578.39]) # Reaction 839 reaction('C8H9O2 => A1C2H4 + O2', [1.210000e+45, -10.15, 40815.01]) # Reaction 840 reaction('C8H9O2 => A1C2H3 + HO2', [2.450000e+25, -4.48, 32607.55]) # Reaction 841 reaction('C8H9O2 => A1CH2 + HCO + OH', [1.230000e+13, -1.12, 27014.82]) # Reaction 842 reaction('C8H9O2 => C8H8OOH', [5.450000e-02, 3.57, 16097.04]) # Reaction 843 reaction('C8H8OOH + O2 => OC8H7OOH + OH', [1.000000e+11, 0.0, 0.0]) # Reaction 844 reaction('OC8H7OOH => A1- + CH2O + CO + OH', [6.300000e+14, 0.0, 43044.93]) # Reaction 845 reaction('A1C2H3 => A1 + H2C2', [2.400000e+14, 0.0, 78130.98]) # Reaction 846 reaction('A1C2H3 + O <=> A1CH2 + HCO', [5.100000e+07, 1.66, 657.27]) # Reaction 847 reaction('A1C2H3 + CH3 <=> A1C2H2 + CH4', [1.140000e+05, 2.0, 9199.33]) # Reaction 848 reaction('A1C2H3 + OH <=> A1CHO + CH3', [1.880000e+36, -7.8, 7060.23]) # Reaction 849 reaction('A1C2H3 + OH <=> A1CH2 + CH2O', [1.880000e+36, -7.8, 7060.23]) # Reaction 850 reaction('A1C2H3 + OH <=> C2H3 + A1OH', [7.830000e+02, 2.88, 3221.8]) # Reaction 851 reaction('A1C2H3 + O <=> A1C2H3* + OH', [1.330000e+13, 0.0, 14698.85]) # Reaction 852 reaction('A1C2H2 + O <=> A1CH2 + CO', [1.030000e+13, 0.21, -427.82]) # Reaction 853 reaction('A1C2H2 + O2 <=> A1C2H + HO2', [6.700000e+05, 1.61, -384.8]) # Reaction 854 reaction('A1C2H2 + O2 => A1CH2 + CO + O', [3.030000e+11, 0.29, 11.95]) # Reaction 855 reaction('A1C2H2 + O2 <=> A1CHO + HCO', [4.580000e+16, -1.39, 1015.77]) # Reaction 856 reaction('A1C2H + OH <=> A1 + HCCO', [1.000000e+13, 0.0, 0.0]) # Reaction 857 reaction('A1CH3CH3 <=> A1CH3CH2 + H', [2.500000e+18, -0.6, 94787.28]) # Reaction 858 reaction('A1CH3CH3 <=> A1CH3* + CH3', [4.320000e+29, -3.58, 110164.91]) # Reaction 859 reaction('A1CH3CH3 + H <=> A1CH3CH2 + H2', [1.290000e+01, 3.98, 3384.32]) # Reaction 860 reaction('A1CH3CH3 + O <=> A1CH3CH2 + OH', [2.360000e+00, 4.09, 2545.41]) # Reaction 861 reaction('A1CH3CH3 + OH <=> A1CH3CH2 + H2O', [3.540000e+05, 2.39, -602.29]) # Reaction 862 reaction('A1CH3CH3 + O2 <=> A1CH3CH2 + HO2', [4.360000e+07, 2.5, 46044.46]) # Reaction 863 reaction('A1CH3CH3 + HO2 <=> A1CH3CH2 + H2O2', [1.870000e+05, 2.5, 14684.51]) # Reaction 864 reaction('A1CH3CH3 + CH3 <=> A1CH3CH2 + CH4', [8.440000e+14, 0.0, 22256.21]) # Reaction 865 reaction('A1CH3CH3 + H <=> A1CH3 + CH3', [4.620000e+06, 2.17, 4163.48]) # Reaction 866 reaction('A1CH3CH3 + OH <=> HOA1CH3 + CH3', [1.570000e+03, 2.88, 3221.8]) # Reaction 867 reaction('A1CH3CH3 + O => A1CH3 + CO + 2 H', [1.820000e+08, 1.55, 3090.34]) # Reaction 868 reaction('A1CH3CH2 => A1 + H + C2H2', [8.200000e+14, 0.0, 80676.39]) # Reaction 869 reaction('A1CH3CH2 + H <=> A1CH3* + CH3', [5.830000e+67, -14.15, 68329.35]) # Reaction 870 reaction('A1CH3CH2 + O <=> A1CH3CHO + H', [4.370000e+18, -1.34, 1591.78]) # Reaction 871 reaction('A1CH3CH2 + O <=> A1CH3* + CH2O', [5.990000e+23, -2.47, 16192.64]) # Reaction 872 reaction('A1CH3CH2 + O <=> A1CH3 + HCO', [1.970000e+22, -2.36, 8152.49]) # Reaction 873 reaction('A1CH3CH2 + OH => A1CH3CHO + H2', [2.000000e+13, 0.0, 0.0]) # Reaction 874 reaction('A1CH3CH2 + O2 <=> A1CH3CHO + OH', [1.380000e+02, 2.42, 7440.25]) # Reaction 875 reaction('A1CH3CH2 + O2 <=> OA1CH3 + CH2O', [6.570000e+03, 1.87, 5002.39]) # Reaction 876 reaction('A1CH3CH2 + HO2 => A1CH3CHO + H + OH', [2.280000e+13, -0.31, -657.27]) # Reaction 877 reaction('A1CH3CH2 + HO2 => A1CH3* + CH2O + OH', [3.130000e+18, -1.44, 13943.59]) # Reaction 878 reaction('A1CH3CH2 + HO2 => A1CH3 + HCO + OH', [1.030000e+17, -1.33, 5903.44]) # Reaction 879 reaction('A1CH3CH2 + C3H3 => A2CH3 + 2 H', [4.320000e+39, -7.74, 23852.77]) # Reaction 880 reaction('A1CH3CHO <=> A1CHOCH2 + H', [1.250000e+18, -0.6, 94787.28]) # Reaction 881 reaction('A1CH3CHO => A1- + CO + CH3', [2.160000e+29, -3.58, 110164.91]) # Reaction 882 reaction('A1CH3CHO => A1CH3* + CO + H', [2.100000e+16, 0.0, 81739.96]) # Reaction 883 reaction('A1CH3CHO + H <=> A1CHOCH2 + H2', [6.470000e+00, 3.98, 3384.32]) # Reaction 884 reaction('A1CH3CHO + O <=> A1CHOCH2 + OH', [1.180000e+00, 4.09, 2545.41]) # Reaction 885 reaction('A1CH3CHO + OH <=> A1CHOCH2 + H2O', [1.770000e+05, 2.39, -602.29]) # Reaction 886 reaction('A1CH3CHO + O2 <=> A1CHOCH2 + HO2', [2.180000e+07, 2.5, 46044.46]) # Reaction 887 reaction('A1CH3CHO + HO2 <=> A1CHOCH2 + H2O2', [9.330000e+04, 2.5, 14684.51]) # Reaction 888 reaction('A1CH3CHO + CH3 <=> A1CHOCH2 + CH4', [4.220000e+14, 0.0, 22256.21]) # Reaction 889 reaction('A1CH3CHO + H => A1CH3* + CO + H2', [4.090000e+09, 1.16, 2404.4]) # Reaction 890 reaction('A1CH3CHO + O => A1CH3* + CO + OH', [5.840000e+12, 0.0, 1809.27]) # Reaction 891 reaction('A1CH3CHO + OH => A1CH3* + CO + H2O', [2.890000e+08, 1.35, -1572.66]) # Reaction 892 reaction('A1CH3CHO + O2 => A1CH3* + CO + HO2', [1.200000e+05, 2.5, 37554.97]) # Reaction 893 reaction('A1CH3CHO + HO2 => A1CH3* + CO + H2O2', [4.090000e+04, 2.5, 10203.15]) # Reaction 894 reaction('A1CH3CHO + CH3 => A1CH3* + CO + CH4', [3.490000e-08, 6.21, 1630.02]) # Reaction 895 reaction('A1CH3CHO + H <=> A1CH3 + HCO', [2.310000e+06, 2.17, 4163.48]) # Reaction 896 reaction('A1CH3CHO + H <=> A1CHO + CH3', [2.310000e+06, 2.17, 4163.48]) # Reaction 897 reaction('A1CH3CHO + OH <=> HOA1CH3 + HCO', [7.830000e+02, 2.88, 3221.8]) # Reaction 898 reaction('A1CH3CHO + OH => A1O + H + CO + CH3', [7.830000e+02, 2.88, 3221.8]) # Reaction 899 reaction('A1CHOCH2 + O <=> A1CHOCHO + H', [4.370000e+18, -1.34, 1591.78]) # Reaction 900 reaction('A1CHOCH2 + O => A1- + CO + CH2O', [5.990000e+23, -2.47, 16192.64]) # Reaction 901 reaction('A1CHOCH2 + O <=> A1CHO + HCO', [1.970000e+22, -2.36, 8152.49]) # Reaction 902 reaction('A1CHOCH2 + OH => A1CHOCHO + H2', [2.000000e+13, 0.0, 0.0]) # Reaction 903 reaction('A1CHOCH2 + O2 <=> A1CHOCHO + OH', [1.380000e+02, 2.42, 7643.4]) # Reaction 904 reaction('A1CHOCH2 + HO2 => A1CHOCHO + OH + H', [1.190000e+09, 1.03, -2249.04]) # Reaction 905 reaction('A1CHOCHO => A1- + 2 CO + H', [4.200000e+16, 0.0, 81739.96]) # Reaction 906 reaction('A1CHOCHO + H => A1CHO + CO + H', [8.180000e+09, 1.16, 2404.4]) # Reaction 907 reaction('A1CHOCHO + O => A1CHO + CO + O', [1.170000e+13, 0.0, 1809.27]) # Reaction 908 reaction('A1CHOCHO + OH => A1CHO + CO + OH', [5.780000e+08, 1.35, -1572.66]) # Reaction 909 reaction('A1CHOCHO + O2 => A1CHO + CO + O2', [2.400000e+05, 2.5, 37554.97]) # Reaction 910 reaction('A1CHOCHO + HO2 => A1CHO + CO + HO2', [8.180000e+04, 2.5, 10203.15]) # Reaction 911 reaction('A1CHOCHO + CH3 => A1CHO + CO + CH3', [6.980000e-08, 6.21, 1630.02]) # Reaction 912 reaction('A1CHOCHO + H <=> A1CHO + HCO', [4.620000e+06, 2.17, 4163.48]) # Reaction 913 reaction('A1CHOCHO + OH => A1O + H + CO + HCO', [1.570000e+03, 2.88, 3221.8]) # Reaction 914 reaction('A2CH3 + H <=> A2 + CH3', [2.310000e+06, 2.17, 4163.48]) # Reaction 915 reaction('A2CH3 + OH <=> A2OH + CH3', [7.830000e+02, 2.88, 3221.8]) # Reaction 916 reaction('A2CH3 <=> A2CH2 + H', [1.250000e+18, -0.6, 94787.28]) # Reaction 917 reaction('A2CH3 <=> A2- + CH3', [3.200000e+34, -5.02, 114251.91]) # Reaction 918 reaction('A2CH2 + H <=> A2- + CH3', [5.830000e+67, -14.15, 68329.35]) # Reaction 919 reaction('A2CH2 <=> C9H7 + C2H2', [8.200000e+14, 0.0, 80676.39]) # Reaction 920 reaction('A2CH3 + H <=> A2CH2 + H2', [6.470000e+00, 3.98, 3384.32]) # Reaction 921 reaction('A2CH3 + O <=> A2CH2 + OH', [1.180000e+00, 4.09, 2545.41]) # Reaction 922 reaction('A2CH3 + OH <=> A2CH2 + H2O', [1.770000e+05, 2.39, -602.29]) # Reaction 923 reaction('A2CH3 + O2 <=> A2CH2 + HO2', [2.180000e+07, 2.5, 46044.46]) # Reaction 924 reaction('A2CH3 + CH3 <=> A2CH2 + CH4', [4.220000e+14, 0.0, 22256.21]) # Reaction 925 reaction('A2CH3 + HO2 <=> A2CH2 + H2O2', [9.330000e+04, 2.5, 14684.51]) # Reaction 926 reaction('A2CH3 + O => A2 + CO + 2 H', [1.100000e+13, 0.0, 4531.55]) # Reaction 927 reaction('A2CH3 + O => C9H7 + CH3 + CO', [1.470000e+13, 0.0, 4531.55]) # Reaction 928 reaction('A2CH2 + O <=> A2CH2O', [2.280000e+14, 0.0, 0.0]) # Reaction 929 reaction('A2CH2 + OH => A2CH2O + H', [2.000000e+13, 0.0, 0.0]) # Reaction 930 reaction('A2CH2 + HO2 <=> A2CH2O + OH', [1.190000e+09, 1.03, -2249.04]) # Reaction 931 reaction('A2CH2 + C3H3 => A3 + 2 H', [4.320000e+39, -7.74, 23852.77]) # Reaction 932 reaction('A2CH2 + O2 <=> A2CHO + OH', [3.760000e+15, -1.55, 11321.7]) # Reaction 933 reaction('A2CH2 + O2 <=> A2O + CH2O', [3.080000e+09, 0.37, 16909.66]) # Reaction 934 reaction('A2CH2O <=> A2CHO + H', [5.260000e+28, -5.08, 22249.04]) # Reaction 935 reaction('A2CH2O <=> A2- + CH2O', [7.210000e+33, -6.21, 36849.9]) # Reaction 936 reaction('A2CH2O + H <=> A2CHO + H2', [1.330000e+13, 0.0, 0.0]) # Reaction 937 reaction('A2CH2O + O <=> A2CHO + OH', [6.670000e+12, 0.0, 0.0]) # Reaction 938 reaction('A2CH2O + OH <=> A2CHO + H2O', [3.330000e+12, 0.0, 0.0]) # Reaction 939 reaction('A2CH2O + O2 <=> A2CHO + HO2', [2.850000e-13, 7.6, -3530.11]) # Reaction 940 reaction('A2CHO => A2- + CO + H', [2.100000e+16, 0.0, 81739.96]) # Reaction 941 reaction('A2CHO + H => A2- + CO + H2', [4.090000e+09, 1.16, 2404.4]) # Reaction 942 reaction('A2CHO + O => A2- + CO + OH', [5.840000e+12, 0.0, 1809.27]) # Reaction 943 reaction('A2CHO + OH => A2- + CO + H2O', [2.890000e+08, 1.35, -1572.66]) # Reaction 944 reaction('A2CHO + O2 => A2- + CO + HO2', [1.200000e+05, 2.5, 37554.97]) # Reaction 945 reaction('A2CHO + HO2 => A2- + CO + H2O2', [4.090000e+04, 2.5, 10203.15]) # Reaction 946 reaction('A2CHO + CH3 => A2- + CO + CH4', [3.490000e-08, 6.21, 1630.02]) # Reaction 947 reaction('A1 <=> A1- + H', [1.290000e+61, -12.48, 148085.56]) # Reaction 948 falloff_reaction('A1- (+ M) <=> O-C6H4 + H (+ M)', kf=[4.300000e+12, 0.62, 77301.63], kf0=[1.000000e+84, -18.87, 90100.38], efficiencies='CO2:3.6 CO:1.75 H2:2.0 H2O:12.0 AR:0.7 CH4:2.0 C2H6:3.0', falloff=Troe(A=0.902, T3=696.0, T1=358.0, T2=3856.0)) # Reaction 949 reaction('C4H2 + C2H2 <=> O-C6H4', [5.000000e+78, -19.31, 67920.65]) # Reaction 950 reaction('A1 + H <=> A1- + H2', [6.020000e+08, 1.8, 16352.77]) # Reaction 951 reaction('A1 + OH <=> A1- + H2O', [2.340000e+04, 2.68, 733.75]) # Reaction 952 reaction('A1 + OH <=> A1OH + H', [1.320000e+02, 3.25, 5590.34]) # Reaction 953 reaction('A1 + O2 <=> A1- + HO2', [4.340000e+14, 0.0, 64292.54]) # Reaction 954 reaction('A1 + O <=> A1O + H', [2.740000e+08, 1.55, 3090.34], options='duplicate') # Reaction 955 reaction('A1 + O <=> A1O + H', [1.990000e+07, 1.8, 3974.67], options='duplicate') # Reaction 956 reaction('A1 + O <=> A1OH', [2.030000e+12, 0.3, 4402.49]) # Reaction 957 reaction('A1 + O <=> C5H6 + CO', [5.800000e+16, -0.77, 15291.59]) # Reaction 958 reaction('A1 + O <=> A1- + OH', [4.000000e+13, 0.0, 14698.85]) # Reaction 959 reaction('A1- + O2 <=> A1O + O', [8.570000e+20, -2.27, 7189.29]) # Reaction 960 reaction('A1- + O2 <=> OC6H4O + H', [3.000000e+13, 0.0, 8981.84]) # Reaction 961 reaction('A1- + O <=> A1O', [1.000000e+14, 0.0, 0.0]) # Reaction 962 reaction('A1- + OH <=> A1O + H', [3.000000e+13, 0.0, 0.0]) # Reaction 963 reaction('A1- + HO2 <=> A1O + OH', [3.000000e+13, 0.0, 0.0]) # Reaction 964 reaction('A1- + CH4 <=> A1 + CH3', [3.890000e-03, 4.57, 5258.13]) # Reaction 965 reaction('A1OH <=> C5H6 + CO', [6.590000e+15, -0.61, 74118.07]) # Reaction 966 reaction('A1OH <=> A1O + H', [1.010000e+71, -15.92, 124789.67]) # Reaction 967 reaction('A1OH + H <=> A1O + H2', [6.830000e+01, 3.4, 7232.31]) # Reaction 968 reaction('A1OH + OH <=> A1O + H2O', [1.730000e+01, 3.4, -1142.45]) # Reaction 969 reaction('A1OH + CH3 <=> A1O + CH4', [3.700000e-04, 4.7, 4827.92]) # Reaction 970 reaction('A1OH + O2 <=> A1O + HO2', [7.320000e+13, 0.0, 41400.57]) # Reaction 971 reaction('A1O <=> CO + C5H5', [2.900000e+10, 0.0, 36424.47]) # Reaction 972 reaction('A1O + O <=> OC6H4O + H', [6.340000e+13, 0.03, -394.36]) # Reaction 973 reaction('A1O + O2 <=> OC6H4O + OH', [6.510000e+07, 1.3, 17667.3]) # Reaction 974 reaction('OC6H4O <=> C5H4O + CO', [7.400000e+11, 0.0, 59000.96]) # Reaction 975 reaction('OC6H4O + H <=> T-C5H5O + CO', [4.300000e+09, 1.45, 3867.11]) # Reaction 976 reaction('OC6H4O + O => CH2CO + C2H2 + 2 CO', [3.000000e+13, 0.0, 5000.0]) # Reaction 977 reaction('A2 + O <=> A2O + H', [1.830000e+13, 0.0, 4529.16]) # Reaction 978 reaction('A2 + O <=> A2OH', [1.830000e+13, 0.0, 4529.16]) # Reaction 979 reaction('A2 + OH <=> A2OH + H', [2.200000e+02, 3.25, 5590.34]) # Reaction 980 reaction('A2- + O2 <=> A2O + O', [8.570000e+20, -2.27, 7189.29]) # Reaction 981 reaction('A2* + O2 <=> A2O + O', [8.570000e+20, -2.27, 7189.29]) # Reaction 982 reaction('A2- + O2 => C9H6O + CO + H', [3.000000e+13, 0.0, 8981.84]) # Reaction 983 reaction('A2* + O2 => C9H6O + CO + H', [3.000000e+13, 0.0, 8981.84]) # Reaction 984 reaction('A2- + O <=> A2O', [1.000000e+14, 0.0, 0.0]) # Reaction 985 reaction('A2* + O <=> A2O', [1.000000e+14, 0.0, 0.0]) # Reaction 986 reaction('A2- + OH <=> A2O + H', [3.000000e+13, 0.0, 0.0]) # Reaction 987 reaction('A2* + OH <=> A2O + H', [3.000000e+13, 0.0, 0.0]) # Reaction 988 reaction('A2OH <=> C9H8 + CO', [8.620000e+15, -0.61, 74118.07]) # Reaction 989 reaction('A2OH <=> A2O + H', [1.010000e+71, -15.92, 124789.67]) # Reaction 990 reaction('A2OH + H <=> A2O + H2', [6.830000e+01, 3.4, 7232.31]) # Reaction 991 reaction('A2OH + OH <=> A2O + H2O', [1.730000e+01, 3.4, -1142.45]) # Reaction 992 reaction('A2OH + CH3 <=> A2O + CH4', [3.700000e-04, 4.7, 4827.92]) # Reaction 993 reaction('A2O <=> C9H7 + CO', [2.900000e+10, 0.0, 36424.47]) # Reaction 994 reaction('A2O + O => C9H6O + CO + H', [1.680000e+14, 0.0, 0.0]) # Reaction 995 reaction('A2O + O2 => C9H6O + CO + OH', [6.510000e+07, 1.3, 17667.3]) # Reaction 996 reaction('A3- + O2 => A2C2H2B + 2 CO', [8.570000e+20, -2.27, 7189.29]) # Reaction 997 reaction('A3* + O2 => A2C2H2A + 2 CO', [8.570000e+20, -2.27, 7189.29]) # Reaction 998 reaction('A4- + O2 => A3- + 2 CO', [8.570000e+20, -2.27, 7189.29]) # Reaction 999 reaction('A2R5- + O2 => A2- + 2 CO', [8.570000e+20, -2.27, 7189.29]) # Reaction 1000 reaction('A3R5- + O2 => A3- + 2 CO', [8.570000e+20, -2.27, 7189.29]) # Reaction 1001 reaction('A3 + OH => A2C2HA + CH3 + CO', [1.100000e+02, 3.25, 5590.34]) # Reaction 1002 reaction('A3 + OH => A2C2HB + CH3 + CO', [1.100000e+02, 3.25, 5590.34]) # Reaction 1003 reaction('A4 + OH => A3 + HCCO', [2.200000e+02, 3.25, 5590.34]) # Reaction 1004 reaction('A2R5 + OH => A2 + HCCO', [1.760000e+02, 3.25, 5590.34]) # Reaction 1005 reaction('A3R5 + OH => A3 + HCCO', [2.200000e+02, 3.25, 5590.34]) # Reaction 1006 reaction('A4R5 + OH => A4 + HCCO', [2.200000e+02, 3.25, 5590.34]) # Reaction 1007 reaction('FLTN + OH => A3 + HCCO', [2.200000e+02, 3.25, 5590.34]) # Reaction 1008 reaction('C2H3 + C2H5 => P-C4H8', [9.000000e+12, 0.0, 0.0]) # Reaction 1009 reaction('C2H5 + O2 => CH3CHO + OH', [8.265000e+02, 2.41, 5284.89]) # Reaction 1010 reaction('C2H5 + C2H3 => 2 C2H4', [6.859000e+11, 0.11, -4299.95]) # Reaction 1011 reaction('CH3O2 + C2H5 => CH3O + C2H5O', [8.000000e+12, 0.0, -1000.0]) # Reaction 1012 reaction('A-C3H4 + O => C2H2 + CH2O', [3.000000e-03, 4.61, -4243.07]) # Reaction 1013 reaction('A-C3H5 + C2H5 => C2H4 + C3H6', [4.000000e+11, 0.0, 0.0]) # Reaction 1014 reaction('C2H3CHO + CH3O2 => C2H3 + CO + CH3O + OH', [3.010000e+12, 0.0, 11919.93]) # Reaction 1015 reaction('C2H3CHO + C2H3 => C2H3 + CO + C2H4', [1.740000e+12, 0.0, 8440.01]) # Reaction 1016 reaction('C2H3CHO + CH3O => C2H3 + CO + CH3OH', [1.000000e+12, 0.0, 3299.95]) # Reaction 1017 reaction('C3H7CHO + CH3O => N-C3H7 + CO + CH3OH', [1.000000e+12, 0.0, 3299.95]) # Reaction 1018 reaction('C3H7CHO + CH3O2 => N-C3H7 + CO + CH3O + OH', [4.090000e+04, 2.5, 10200.05]) # Reaction 1019 reaction('C3H7CHO + O => N-C3H7 + CO + OH', [5.940000e+12, 0.0, 1868.07]) # Reaction 1020 reaction('C5H81-3 + H <=> C5H9', [2.640000e+13, 0.0, 2159.89]) # UPDATED # Reaction 1021 reaction('C5H9 + HO2 => C5H10 + O2', [1.961000e+10, 0.563, -376.91]) # Reaction 1022 reaction('C5H10 + CH3 => C5H9 + CH4', [3.690000e+00, 3.31, 4001.91]) # Reaction 1023 reaction('C5H10 + HO2 => C5H9 + H2O2', [8.909000e+00, 3.458, 10029.64]) # Reaction 1024 reaction('C7H14 + CH3 => C7H13 + CH4', [1.057000e+01, 3.46, 5481.12]) # Reaction 1025 reaction('C7H14 + HO2 => C7H13 + H2O2', [4.420000e+02, 3.37, 13719.89]) # Reaction 1026 reaction('C7H14 + OH => CH2O + C6H13', [1.000000e+11, 0.0, -4000.0]) # Reaction 1027 reaction('CH3O2 + O => CH3O + O2', [3.600000e+13, 0.0, 0.0]) # Reaction 1028 reaction('CH3O2 + OH => CH3OH + O2', [6.000000e+13, 0.0, 0.0]) # Reaction 1029 reaction('CH3O2 + H => CH3O + OH', [9.600000e+13, 0.0, 0.0]) # Reaction 1030 three_body_reaction('OCHO + M => H + CO2 + M', [5.318000e+14, -0.353, 17580.07]) # Reaction 1031 three_body_reaction('H + CO2 + M => OCHO + M', [7.500000e+13, 0.0, 29000.0]) # Reaction 1032 reaction('HOCHO + O => CO + 2 OH', [1.770000e+18, -1.9, 2974.9]) # Reaction 1033 reaction('HOCHO + OH => H2O + CO + OH', [1.850000e+07, 1.51, -962.0]) # Reaction 1034 reaction('HOCHO + HO2 => H2O2 + CO + OH', [1.000000e+12, 0.0, 11919.93]) # Reaction 1035 reaction('HOCHO => CO + H2O', [2.450000e+12, 0.0, 60469.89]) # Reaction 1036 reaction('HOCHO + H => H2 + CO2 + H', [4.240000e+06, 2.1, 4868.07]) # Reaction 1037 reaction('HOCHO + H => H2 + CO + OH', [6.030000e+13, -0.35, 2988.05]) # Reaction 1038 reaction('HOCHO + OH => H2O + CO2 + H', [2.620000e+06, 2.06, 916.11]) # Reaction 1039 reaction('HOCHO => HCO + OH', [3.471000e+22, -1.542, 110700.05]) # Reaction 1040 reaction('HCO + OH => HOCHO', [1.000000e+14, 0.0, 0.0]) # Reaction 1041 reaction('HOCHO + CH3 => CH4 + CO + OH', [3.900000e-07, 5.8, 2200.05]) # Reaction 1042 reaction('HOCH2O => HOCHO + H', [1.000000e+14, 0.0, 14900.1]) # Reaction 1043 reaction('HOCHO + H => HOCH2O', [1.123000e+15, -0.295, 11500.0]) # Reaction 1044 reaction('HOCH2O => CH2O + OH', [2.056000e+21, -2.336, 25729.92]) # Reaction 1045 reaction('CH2O + OH => HOCH2O', [4.500000e+15, -1.1, 0.0]) # Reaction 1046 reaction('CH2O + O2CHO => HCO + HO2CHO', [1.990000e+12, 0.0, 11659.89]) # Reaction 1047 reaction('O2CHO => HCO + O2', [9.959000e+15, -1.126, 41000.0]) # Reaction 1048 reaction('HCO + O2 => O2CHO', [1.200000e+11, 0.0, -1099.9]) # Reaction 1049 reaction('HO2CHO => OCHO + OH', [5.010000e+14, 0.0, 40150.1]) # Reaction 1050 reaction('OCHO + OH => HO2CHO', [1.000000e+13, 0.0, 0.0]) # Reaction 1051 reaction('CH3CO + CH3 => CH2CO + CH4', [5.000000e+13, 0.0, 0.0]) # Reaction 1052 falloff_reaction('CH3CO (+ M) <=> CH3 + CO (+ M)', kf=[3.000000e+12, 0.0, 16719.89], kf0=[1.200000e+15, 0.0, 12520.08], falloff=Troe(A=1.0, T3=1.0, T1=10000000.0, T2=10000000.0)) # FCCHECK/ 0 0 0 0 1 0 # Reaction 1053 three_body_reaction('CH3CO2 + M => CH3 + CO2 + M', [4.400000e+15, 0.0, 10500.0]) # Reaction 1054 three_body_reaction('CH3 + CO2 + M => CH3CO2 + M', [4.548000e+08, 1.378, 17520.08]) # Reaction 1055 reaction('CH3OCO => CH3 + CO2', [3.590000e+14, -0.172, 16010.04]) # Reaction 1056 reaction('CH3 + CO2 => CH3OCO', [4.760000e+07, 1.54, 34700.05]) # Reaction 1057 reaction('CH3OCO => CH3O + CO', [1.431000e+15, -0.041, 23770.08]) # Reaction 1058 reaction('CH3O + CO => CH3OCO', [1.550000e+06, 2.02, 5729.92]) # Reaction 1059 reaction('C2H5O2 => C2H4 + HO2', [1.815000e+38, -8.45, 37890.06]) # Reaction 1060 reaction('C2H5O2 => C2H5 + O2', [1.312000e+62, -14.784, 49179.97]) # Reaction 1061 reaction('C2H5 + O2 => C2H5O2', [2.876000e+56, -13.82, 14619.98]) # Reaction 1062 reaction('CH3CO3 + HO2 => CH3CO3H + O2', [1.750000e+10, 0.0, -3275.1]) # Reaction 1063 reaction('H2O2 + CH3CO3 => HO2 + CH3CO3H', [2.410000e+12, 0.0, 9935.95]) # Reaction 1064 reaction('CH2O + CH3CO3 => HCO + CH3CO3H', [1.990000e+12, 0.0, 11659.89]) # Reaction 1065 reaction('CH3CO3 => CH3CO + O2', [6.863000e+19, -1.949, 38530.11]) # Reaction 1066 reaction('CH3CO + O2 => CH3CO3', [1.200000e+11, 0.0, -1099.9]) # Reaction 1067 reaction('CH3CO3H => CH3CO2 + OH', [5.010000e+14, 0.0, 40150.1]) # Reaction 1068 reaction('C3H6 + HO2 => C3H6O1-2 + OH', [1.290000e+12, 0.0, 14900.1]) # Reaction 1069 reaction('C3H6O1-2 + OH => CH2O + C2H3 + H2O', [5.000000e+12, 0.0, 0.0]) # Reaction 1070 reaction('C3H6O1-2 + HO2 => CH2O + C2H3 + H2O2', [1.000000e+13, 0.0, 15000.0]) # Reaction 1071 reaction('C3H6O1-2 + O => CH2O + C2H3 + OH', [8.430000e+13, 0.0, 5200.05]) # Reaction 1072 reaction('C3H6O1-2 => C2H4 + CH2O', [6.000000e+14, 0.0, 60000.0]) # Reaction 1073 reaction('C2H4 + CH2O => C3H6O1-2', [2.970000e+11, 1.0, 31080.07]) # Reaction 1074 reaction('C3H6O1-2 + H => CH2O + C2H3 + H2', [2.630000e+07, 2.0, 5000.0]) # Reaction 1075 reaction('C3H8 + OH => I-C3H7 + H2O', [4.670000e+07, 1.61, -34.89]) # Reaction 1076 reaction('C3H8 + O => I-C3H7 + OH', [5.490000e+05, 2.5, 3140.06]) # Reaction 1077 reaction('H + C3H8 => H2 + I-C3H7', [1.170000e+07, 2.4, 4471.08]) # Reaction 1078 reaction('C3H8 + HO2 => I-C3H7 + H2O2', [5.880000e+04, 2.5, 14859.94]) # Reaction 1079 reaction('C2H5CO => C2H5 + CO', [2.460000e+23, -3.208, 17549.95]) # Reaction 1080 reaction('C2H5 + CO => C2H5CO', [1.510000e+11, 0.0, 4809.99]) # Reaction 1081 reaction('CH3COCH2 => CH2CO + CH3', [1.000000e+14, 0.0, 31000.0]) # Reaction 1082 reaction('CH2CO + CH3 => CH3COCH2', [1.000000e+11, 0.0, 6000.0]) # Reaction 1083 reaction('C2H5CHO + O => C2H5CO + OH', [5.000000e+12, 0.0, 1789.91]) # Reaction 1084 reaction('C2H5CHO + CH3 => C2H5CO + CH4', [2.608000e+06, 1.78, 5911.09]) # Reaction 1085 reaction('C2H5CHO + H => C2H5CO + H2', [4.000000e+13, 0.0, 4200.05]) # Reaction 1086 reaction('C2H5CHO => C2H5 + HCO', [1.496000e+27, -3.205, 87039.91]) # Reaction 1087 reaction('C2H5 + HCO => C2H5CHO', [1.810000e+13, 0.0, 0.0]) # Reaction 1088 reaction('C2H5CHO + HO2 => C2H5CO + H2O2', [2.800000e+12, 0.0, 13599.9]) # Reaction 1089 reaction('C2H5CHO + A-C3H5 => C2H5CO + C3H6', [1.700000e+12, 0.0, 8440.01]) # Reaction 1090 reaction('C2H5CHO + CH3O2 => C2H5CO + CH3O + OH', [3.010000e+12, 0.0, 11919.93]) # Reaction 1091 reaction('C2H5CHO + OH => C2H5CO + H2O', [2.690000e+10, 0.76, -340.11]) # Reaction 1092 reaction('C2H5CHO + CH3O => C2H5CO + CH3OH', [1.000000e+12, 0.0, 3299.95]) # Reaction 1093 reaction('CH3COCH2O => CH3CO + CH2O', [3.732000e+20, -2.176, 17260.04]) # Reaction 1094 reaction('CH3CO + CH2O => CH3COCH2O', [1.000000e+11, 0.0, 11900.1]) # Reaction 1095 reaction('C3H6OOH1-2 => C3H6 + HO2', [7.834000e+15, -1.3, 15950.05]) # Reaction 1096 reaction('C3H6 + HO2 => C3H6OOH1-2', [1.000000e+11, 0.0, 11000.0]) # Reaction 1097 reaction('C3H6OOH1-2 => C3H6O1-2 + OH', [6.000000e+11, 0.0, 22000.0]) # Reaction 1098 reaction('I-C3H7O2 => I-C3H7 + O2', [3.132000e+22, -2.167, 38159.89]) # Reaction 1099 reaction('I-C3H7 + O2 => I-C3H7O2', [7.540000e+12, 0.0, 0.0]) # Reaction 1100 reaction('I-C3H7O2 => C3H6 + HO2', [1.015000e+43, -9.409, 41489.96]) # Reaction 1101 reaction('N-C3H7O2 + N-C3H7 => 2 N-C3H7O', [7.000000e+12, 0.0, -1000.0]) # Reaction 1102 reaction('N-C3H7O2 + C2H5 => N-C3H7O + C2H5O', [7.000000e+12, 0.0, -1000.0]) # Reaction 1103 reaction('N-C3H7O2 + C2H5O2 => N-C3H7O + C2H5O + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1104 reaction('N-C3H7O2 + A-C3H5 => N-C3H7O + C3H5O', [7.000000e+12, 0.0, -1000.0]) # Reaction 1105 reaction('N-C3H7O2 => N-C3H7 + O2', [2.400000e+20, -1.616, 35960.09]) # Reaction 1106 reaction('N-C3H7 + O2 => N-C3H7O2', [4.520000e+12, 0.0, 0.0]) # Reaction 1107 reaction('N-C3H7O2 => C3H6OOH1-2', [6.000000e+11, 0.0, 26849.9]) # Reaction 1108 reaction('C3H6OOH1-2 => N-C3H7O2', [1.117000e+08, 0.583, 11719.89]) # Reaction 1109 reaction('N-C3H7O2 + CH3 => N-C3H7O + CH3O', [7.000000e+12, 0.0, -1000.0]) # Reaction 1110 reaction('N-C3H7O2 => C3H6 + HO2', [5.044000e+38, -8.112, 40489.96]) # Reaction 1111 reaction('CH3COCH2O2 => CH3COCH2 + O2', [2.021000e+15, -0.956, 24460.09]) # Reaction 1112 reaction('CH3COCH2 + O2 => CH3COCH2O2', [1.200000e+11, 0.0, -1099.9]) # Reaction 1113 reaction('HO2 + CH3COCH2O2 => CH3COCH2O2H + O2', [1.000000e+12, 0.0, 0.0]) # Reaction 1114 reaction('CH3COCH2O2H => CH3COCH2O + OH', [1.000000e+16, 0.0, 43000.0]) # Reaction 1115 reaction('C4H7 + C2H5 <=> C6H12-1', [8.000000e+12, 0.0, 0.0]) # Reaction 1116 reaction('C2H5COCH2 => CH2CO + C2H5', [1.000000e+14, 0.0, 35000.0]) # Reaction 1117 reaction('CH2CO + C2H5 => C2H5COCH2', [1.000000e+11, 0.0, 0.0]) # Reaction 1118 reaction('P-C4H9O2 => P-C4H8 + HO2', [4.308000e+36, -7.5, 39510.04]) # Reaction 1119 reaction('P-C4H9O2 => P-C4H9 + O2', [2.849000e+20, -1.642, 35929.97]) # Reaction 1120 reaction('P-C4H9 + O2 => P-C4H9O2', [4.520000e+12, 0.0, 0.0]) # Reaction 1121 reaction('C5H81-3 + OH => CH2O + C4H7', [1.000000e+12, 0.0, 0.0]) # Reaction 1122 reaction('C5H81-3 + OH => C2H3CHO + C2H5', [1.000000e+12, 0.0, 0.0]) # Reaction 1123 reaction('C4H9CO => N-C3H7 + CH2CO', [1.335000e+13, -0.327, 35708.65]) # Reaction 1124 reaction('C4H9CO => P-C4H9 + CO', [3.019000e+13, 0.0, 35031.55]) # Reaction 1125 reaction('P-C4H9 + CO => C4H9CO', [1.000000e+11, -0.0, 0.0]) # Reaction 1126 reaction('N-C4H9CHO + H => C4H9CO + H2', [4.000000e+13, 0.0, 4200.05]) # Reaction 1127 reaction('N-C4H9CHO + CH3 => C4H9CO + CH4', [1.700000e+12, 0.0, 8440.01]) # Reaction 1128 reaction('N-C4H9CHO + OH => C4H9CO + H2O', [2.690000e+10, 0.76, -340.11]) # Reaction 1129 reaction('N-C4H9CHO + O2 => C4H9CO + HO2', [2.000000e+13, 0.5, 42200.05]) # Reaction 1130 reaction('N-C4H9CHO + HO2 => C4H9CO + H2O2', [2.800000e+12, 0.0, 13599.9]) # Reaction 1131 reaction('N-C4H9CHO + O => C4H9CO + OH', [5.000000e+12, -0.0, 1789.91]) # Reaction 1132 reaction('N-C4H9CHO + CH3O2 => C4H9CO + CH3O + OH', [1.000000e+12, -0.0, 9500.0]) # Reaction 1133 reaction('C5H10OOH1-3 => OH + CH2O + P-C4H8', [8.283000e+13, -0.17, 30090.11]) # Reaction 1134 reaction('C5H11O2-1 => C5H11 + O2', [2.338000e+20, -1.62, 35830.07]) # Reaction 1135 reaction('C5H11 + O2 => C5H11O2-1', [1.113000e+10, 0.733, -1446.46]) # Reaction 1136 reaction('C5H11O2-1 <=> C5H10OOH1-3', [2.500000e+10, 0.0, 20430.21]) # Reaction 1137 reaction('C5H11O2-1 => C5H10 + HO2', [4.308000e+36, -7.5, 39510.04]) # Reaction 1138 reaction('NC5KET13 => C2H5CHO + CH2CHO + OH', [1.000000e+16, 0.0, 39000.0]) # Reaction 1139 reaction('C5H10OOH1-3O2 => NC5KET13 + OH', [2.500000e+10, 0.0, 23076.0]) # Reaction 1140 reaction('C5H10OOH1-3O2 => C5H10OOH1-3 + O2', [8.039000e+22, -2.295, 37969.89]) # Reaction 1141 reaction('C5H10OOH1-3 + O2 => C5H10OOH1-3O2', [7.540000e+12, 0.0, 0.0]) # Reaction 1142 reaction('C6H11 => C3H6 + A-C3H5', [2.000000e+12, 0.0, 29971.32]) # Reaction 1143 reaction('C6H11 => C4H6 + C2H5', [2.000000e+12, 0.0, 29971.32]) # Reaction 1144 reaction('C6H12-1 => 2 C3H6', [4.000000e+12, 0.0, 58000.0]) # Reaction 1145 reaction('C6H12-1 + HO2 => C6H11 + H2O2', [3.790000e+02, 3.37, 13719.89]) # Reaction 1146 reaction('C6H12-1 + OH => C5H11 + CH2O', [1.000000e+11, -0.0, -4000.0]) # Reaction 1147 reaction('O2 + C6H12-1 => CH2O + N-C4H9CHO', [1.000000e+14, 0.0, 37000.0]) # Reaction 1148 reaction('C6H12-1 + CH3 => C6H11 + CH4', [9.060000e+00, 3.46, 5481.12]) # Reaction 1149 reaction('C6H12-1 + O => C6H11 + OH', [3.310000e+06, 2.45, 2827.2]) # Reaction 1150 reaction('C6H12-1 => N-C3H7 + A-C3H5', [2.500000e+16, 0.0, 71000.0]) # Reaction 1151 reaction('N-C3H7 + A-C3H5 => C6H12-1', [1.000000e+13, 0.0, 0.0]) # Reaction 1152 reaction('C6H13 + CH3O2 => C6H13O-1 + CH3O', [5.408000e+18, -1.716, 2506.21]) # Reaction 1153 reaction('C6H13 => C3H6 + N-C3H7', [7.934000e+11, 0.279, 30795.41]) # Reaction 1154 reaction('2 C6H13 => N-C12H26', [4.775000e+24, -3.432, 7012.67]) # Reaction 1155 reaction('N-C12H26 => 2 C6H13', [7.139000e+24, -2.246, 88618.79]) # Reaction 1156 reaction('C6H13 => C6H12-1 + H', [1.018000e+14, -0.277, 35965.82]) # Reaction 1157 reaction('C6H12-1 + H => C6H13', [9.378000e+12, 0.086, 1542.07]) # Reaction 1158 reaction('C6H13 + HO2 => C6H13O-1 + OH', [5.408000e+18, -1.716, 2506.21]) # Reaction 1159 reaction('C6H13 => C2H4 + P-C4H9', [4.937000e+25, -3.686, 34146.27]) # Reaction 1160 reaction('C5H11CO => C5H11 + CO', [9.979000e+12, 0.0, 34112.81]) # Reaction 1161 reaction('C5H11 + CO => C5H11CO', [1.826000e+08, 0.768, -1541.35]) # Reaction 1162 reaction('C5H11CO => P-C4H9 + CH2CO', [3.981000e+16, -1.037, 41018.16]) # Reaction 1163 reaction('N-C5H11CHO + HO2 => C5H11CO + H2O2', [2.800000e+12, 0.0, 13599.9]) # Reaction 1164 reaction('N-C5H11CHO + O2 => C5H11CO + HO2', [2.000000e+13, 0.5, 42200.05]) # Reaction 1165 reaction('N-C5H11CHO + CH3O2 => C5H11CO + CH3O + OH', [1.000000e+12, 0.0, 9500.0]) # Reaction 1166 reaction('N-C5H11CHO + O => C5H11CO + OH', [5.000000e+12, 0.0, 1789.91]) # Reaction 1167 reaction('N-C5H11CHO + OH => C5H11CO + H2O', [2.690000e+10, 0.76, -340.11]) # Reaction 1168 reaction('N-C5H11CHO + H => C5H11CO + H2', [4.000000e+13, 0.0, 4200.05]) # Reaction 1169 reaction('N-C5H11CHO + CH3 => C5H11CO + CH4', [1.700000e+12, 0.0, 8440.01]) # Reaction 1170 reaction('C6H13O-1 => C5H11 + CH2O', [5.226000e+20, -2.08, 24830.07]) # Reaction 1171 reaction('C6H12OOH1-3 => OH + CH2O + C5H10', [7.703000e+13, -0.16, 30090.11]) # Reaction 1172 reaction('2 C6H13O2-1 => O2 + 2 C6H13O-1', [1.400000e+16, -1.61, 1859.94]) # Reaction 1173 reaction('C6H13O2-1 => C6H12-1 + HO2', [4.308000e+36, -7.5, 39510.04]) # Reaction 1174 reaction('C6H13O2-1 <=> C6H12OOH1-3', [2.500000e+10, 0.0, 20430.21]) # Reaction 1175 reaction('C6H13 + C6H13O2-1 => 2 C6H13O-1', [5.408000e+18, -1.716, 2506.21]) # Reaction 1176 reaction('C6H13O2-1 => C6H13 + O2', [5.150000e+20, -1.71, 35789.91]) # Reaction 1177 reaction('C6H13 + O2 => C6H13O2-1', [3.492000e+18, -1.716, 3506.21]) # Reaction 1178 reaction('C6H13O2-1 + CH3O2 => C6H13O-1 + CH3O + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1179 reaction('NC6KET13 => C3H7CHO + CH2CHO + OH', [1.000000e+16, 0.0, 39000.0]) # Reaction 1180 reaction('C6H12OOH1-3O2 => NC6KET13 + OH', [2.500000e+10, 0.0, 23076.0]) # Reaction 1181 reaction('C6H12OOH1-3O2 => C6H12OOH1-3 + O2', [8.868000e+22, -2.31, 37979.92]) # Reaction 1182 reaction('C6H12OOH1-3 + O2 => C6H12OOH1-3O2', [7.540000e+12, 0.0, 0.0]) # Reaction 1183 reaction('C6H13CO => C5H11 + CH2CO', [4.118000e+26, -4.0, 37020.79]) # Reaction 1184 reaction('C6H13CO => C4H9CO + C2H4', [2.356000e+06, 0.0, 9163.24]) # Reaction 1185 reaction('C6H13CO => C6H13 + CO', [1.086000e+13, 0.0, 28178.54]) # Reaction 1186 reaction('C6H13 + CO => C6H13CO', [4.484000e+16, -1.65, 3322.18]) # Reaction 1187 reaction('N-C6H13CHO + HO2 => C6H13CO + H2O2', [2.800000e+12, 0.0, 13599.9]) # Reaction 1188 reaction('N-C6H13CHO + H => C6H13CO + H2', [4.000000e+13, 0.0, 4200.05]) # Reaction 1189 reaction('N-C6H13CHO + CH3O2 => C6H13CO + CH3O + OH', [1.000000e+12, 0.0, 9500.0]) # Reaction 1190 reaction('N-C6H13CHO + O => C6H13CO + OH', [5.000000e+12, 0.0, 1789.91]) # Reaction 1191 reaction('N-C6H13CHO + CH3 => C6H13CO + CH4', [1.700000e+12, 0.0, 8440.01]) # Reaction 1192 reaction('N-C6H13CHO + OH => C6H13CO + H2O', [2.690000e+10, 0.76, -340.11]) # Reaction 1193 reaction('C7H13 => A-C3H5 + P-C4H8', [2.000000e+12, 0.0, 29971.32]) # Reaction 1194 reaction('C7H13 => C4H7 + C3H6', [2.000000e+12, 0.0, 29971.32]) # C7H13=>C5H81-3+C2H5 7.455e+26 -3.917 42113.53!UPDATED IN MCH SUB-MECHANISM # C7H13=>C4H6+N-C3H7 7.136e+11 0.000 28856.12!UPDATED IN MCH SUB-MECHANISM # Reaction 1195 reaction('C7H14OOH1-3 => OH + CH2O + C6H12-1', [2.147000e+09, 1.23, 30369.98]) # Reaction 1196 reaction('C7H15O2-1 <=> C7H14OOH1-3', [2.500000e+10, 0.0, 20450.05]) # Reaction 1197 reaction('C7H15O2-1 => C7H14 + HO2', [4.308000e+36, -7.5, 39510.04]) # Reaction 1198 reaction('C7H15O2-1 => C7H15 + O2', [2.657000e+20, -1.67, 35400.1]) # Reaction 1199 reaction('C7H15 + O2 => C7H15O2-1', [1.044000e+20, -2.149, 4530.83]) # Reaction 1200 reaction('NC7KET13 => N-C4H9CHO + CH2CHO + OH', [1.000000e+16, 0.0, 39000.0]) # Reaction 1201 reaction('C7H14OOH1-3O2 => NC7KET13 + OH', [2.500000e+10, 0.0, 23076.0]) # Reaction 1202 reaction('C7H14OOH1-3O2 => C7H14OOH1-3 + O2', [1.367000e+23, -2.37, 37640.06]) # Reaction 1203 reaction('C7H14OOH1-3 + O2 => C7H14OOH1-3O2', [7.540000e+12, 0.0, 0.0]) # Reaction 1204 reaction('C8H15 => C2H3 + C6H12-1', [2.000000e+12, 0.0, 29971.32]) # Reaction 1205 reaction('C8H15 => A-C3H5 + C5H10', [2.000000e+12, 0.0, 29971.32]) # Reaction 1206 reaction('C8H15 => C5H9 + C3H6', [2.000000e+12, 0.0, 29971.32]) # Reaction 1207 reaction('C8H16-1 => C5H10 + C3H6', [3.980000e+12, 0.0, 57629.06]) # Reaction 1208 reaction('C8H16-1 + OH => CH3CHO + C6H13', [1.000000e+11, 0.0, -4000.0]) # Reaction 1209 reaction('C8H16-1 + OH => CH2O + C7H15', [1.000000e+11, 0.0, -4000.0]) # Reaction 1210 reaction('C8H16-1 + CH3 => C8H15 + CH4', [1.210000e+01, 3.46, 5481.12]) # Reaction 1211 reaction('C8H16-1 => C5H11 + A-C3H5', [2.500000e+16, 0.0, 71000.0]) # Reaction 1212 reaction('H + C8H16-1 => C8H17', [2.500000e+11, 0.51, 2619.98]) # Reaction 1213 reaction('C8H17 => C8H16-1 + H', [2.504000e+22, -2.425, 46825.05]) # Reaction 1214 reaction('C8H16-1 + O => C8H15 + OH', [4.420000e+06, 2.45, 2830.07]) # Reaction 1215 reaction('C8H16-1 + HO2 => C8H15 + H2O2', [5.060000e+02, 3.37, 13719.89]) # Reaction 1216 reaction('C8H17 => CH3 + C7H14', [7.322000e+14, -0.833, 28212.48]) # Reaction 1217 reaction('C7H14 + CH3 => C8H17', [3.389000e+03, 2.493, 4776.05]) # Reaction 1218 reaction('C8H17 + O2 => C8H17O2-1', [5.984000e+22, -2.719, 11019.12]) # Reaction 1219 reaction('C8H17O2-1 => O2 + C8H17', [7.736000e+19, -1.551, 37371.65]) # Reaction 1220 reaction('C8H17 => P-C4H8 + P-C4H9', [4.600000e+16, -1.413, 26474.67]) # Reaction 1221 reaction('C8H17 => C2H4 + C6H13', [1.168000e+22, -2.405, 38244.74]) # Reaction 1222 reaction('C8H17 => C2H5 + C6H12-1', [9.431000e+10, 0.336, 24031.31]) # Reaction 1223 reaction('C8H17 => C5H10 + N-C3H7', [9.431000e+10, 0.336, 24031.31]) # Reaction 1224 reaction('C7H15CO => C7H15 + CO', [1.181000e+13, 0.0, 28484.46]) # Reaction 1225 reaction('C7H15 + CO => C7H15CO', [1.892000e+18, -2.125, 4477.77]) # Reaction 1226 reaction('C7H15CO => C5H11CO + C2H4', [2.353000e+05, 0.0, 9528.68]) # Reaction 1227 reaction('C7H15CO => C6H13 + CH2CO', [4.605000e+25, -3.723, 36482.79]) # Reaction 1228 reaction('N-C7H15CHO + OH => C7H15CO + H2O', [2.690000e+10, 0.76, -340.11]) # Reaction 1229 reaction('N-C7H15CHO + HO2 => C7H15CO + H2O2', [2.800000e+12, 0.0, 13599.9]) # Reaction 1230 reaction('N-C7H15CHO + H => C7H15CO + H2', [4.000000e+13, 0.0, 4200.05]) # Reaction 1231 reaction('N-C7H15CHO + CH3O2 => C7H15CO + CH3O + OH', [1.000000e+12, 0.0, 9500.0]) # Reaction 1232 reaction('N-C7H15CHO + CH3 => C7H15CO + CH4', [1.700000e+12, 0.0, 8440.01]) # Reaction 1233 reaction('C8H17O2-1 => C8H16-1 + HO2', [4.308000e+36, -7.5, 39510.04]) # Reaction 1234 reaction('C8H17O2-1 <=> C8OOH1-3', [2.500000e+10, 0.0, 20450.05]) # Reaction 1235 reaction('C8OOH1-3 + O2 <=> C8OOH1-3O2', [7.540000e+12, 0.0, 0.0]) # Reaction 1236 reaction('C8OOH1-3 => OH + CH2O + C7H14', [1.000000e+13, 0.0, 30000.0]) # Reaction 1237 reaction('C8KET1-3 => OH + CH2CHO + N-C5H11CHO', [1.000000e+16, 0.0, 39000.0]) # Reaction 1238 reaction('C8OOH1-3O2 => C8KET1-3 + OH', [2.500000e+10, 0.0, 23076.0]) # Reaction 1239 reaction('C9H17 => A-C3H5 + C6H12-1', [2.000000e+12, 0.0, 29971.32]) # Reaction 1240 reaction('C9H17 => C5H9 + P-C4H8', [2.000000e+12, 0.0, 29971.32]) # Reaction 1241 reaction('C9H17 => C2H3 + C7H14', [2.000000e+12, 0.0, 29971.32]) # Reaction 1242 reaction('C9H18-1 => C6H13 + A-C3H5', [2.500000e+16, 0.0, 71000.0]) # Reaction 1243 reaction('C9H18-1 + CH3 => C9H17 + CH4', [1.360000e+01, 3.46, 5481.12]) # Reaction 1244 reaction('C9H18-1 + OH => CH3CHO + C7H15', [1.000000e+11, 0.0, -4000.0]) # Reaction 1245 reaction('C9H18-1 + OH => CH2O + C8H17', [1.000000e+11, -0.0, -4000.0]) # Reaction 1246 reaction('H + C9H18-1 => C9H19', [2.500000e+11, 0.51, 2619.98]) # Reaction 1247 reaction('C9H19 => C9H18-1 + H', [1.204000e+22, -2.336, 46787.52]) # Reaction 1248 reaction('C9H18-1 + HO2 => C9H17 + H2O2', [5.590000e+02, 3.37, 13719.89]) # Reaction 1249 reaction('C9H18-1 + O => C9H17 + OH', [4.970000e+06, 2.45, 2830.07]) # Reaction 1250 reaction('C9H18-1 => C6H12-1 + C3H6', [3.980000e+12, 0.0, 57629.06]) # Reaction 1251 reaction('C9H19 => C2H5 + C7H14', [5.934000e+09, 0.693, 24209.61]) # Reaction 1252 reaction('C9H19 + O2 => C9H19O2-1', [2.878000e+22, -2.63, 10981.6]) # Reaction 1253 reaction('C9H19O2-1 => O2 + C9H19', [9.127000e+19, -1.574, 37399.38]) # Reaction 1254 reaction('C9H19 => C5H10 + P-C4H9', [5.934000e+09, 0.693, 24209.61]) # Reaction 1255 reaction('C9H19 => C6H12-1 + N-C3H7', [5.839000e+18, -1.902, 28428.06]) # Reaction 1256 reaction('C9H19 => C2H4 + C7H15', [5.962000e+21, -2.324, 38229.21]) # Reaction 1257 reaction('C8H17CO => C8H17 + CO', [1.415000e+13, 0.0, 29338.67]) # Reaction 1258 reaction('C8H17 + CO => C8H17CO', [1.229000e+21, -2.709, 11010.76]) # Reaction 1259 reaction('C8H17CO => C7H15 + CH2CO', [4.255000e+27, -4.249, 38190.97]) # Reaction 1260 reaction('C8H17CO => C6H13CO + C2H4', [3.508000e+05, 0.0, 10280.59]) # Reaction 1261 reaction('N-C8H17CHO + HO2 => C8H17CO + H2O2', [2.800000e+12, 0.0, 13599.9]) # Reaction 1262 reaction('N-C8H17CHO + CH3O2 => C8H17CO + CH3O + OH', [1.000000e+12, 0.0, 9500.0]) # Reaction 1263 reaction('N-C8H17CHO + H => C8H17CO + H2', [4.000000e+13, 0.0, 4200.05]) # Reaction 1264 reaction('N-C8H17CHO + OH => C8H17CO + H2O', [2.690000e+10, 0.76, -340.11]) # Reaction 1265 reaction('C9H19O2-1 => C9H18-1 + HO2', [4.308000e+36, -7.5, 39510.04]) # Reaction 1266 reaction('C9H19O2-1 <=> C9OOH1-3', [2.500000e+10, 0.0, 20450.05]) # Reaction 1267 reaction('C9OOH1-3 => OH + CH2O + C8H16-1', [1.000000e+13, 0.0, 30000.0]) # Reaction 1268 reaction('C9OOH1-3 + O2 <=> C9OOH1-3O2', [7.540000e+12, 0.0, 0.0]) # Reaction 1269 reaction('C9KET1-3 => OH + CH2CHO + N-C6H13CHO', [1.000000e+16, 0.0, 39000.0]) # Reaction 1270 reaction('C9OOH1-3O2 => C9KET1-3 + OH', [2.500000e+10, 0.0, 23076.0]) # Reaction 1271 reaction('C10H19 => A-C3H5 + C7H14', [2.000000e+12, 0.0, 29971.32]) # Reaction 1272 reaction('C10H19 => C8H15 + C2H4', [2.000000e+12, 0.0, 29971.32]) # Reaction 1273 reaction('C10H19 => C5H9 + C5H10', [2.000000e+12, 0.0, 29971.32]) # Reaction 1274 reaction('C10H19 => C2H3 + C8H16-1', [2.000000e+12, 0.0, 29971.32]) # Reaction 1275 reaction('C10H20-1 + OH => CH3CHO + C8H17', [1.000000e+11, -0.0, -4000.0]) # Reaction 1276 reaction('C10H20-1 + CH3 => C10H19 + CH4', [1.510000e+01, 3.46, 5481.12]) # Reaction 1277 reaction('C10H20-1 + OH => CH2O + C9H19', [1.000000e+11, 0.0, -4000.0]) # Reaction 1278 reaction('H + C10H20-1 => C10H21', [2.500000e+11, 0.51, 2619.98]) # Reaction 1279 reaction('C10H21 => C10H20-1 + H', [5.795000e+23, -2.841, 47058.08]) # Reaction 1280 reaction('C10H20-1 => C7H15 + A-C3H5', [2.500000e+16, 0.0, 71000.0]) # Reaction 1281 reaction('C7H15 + A-C3H5 => C10H20-1', [2.311000e+20, -2.149, 4530.83]) # Reaction 1282 reaction('C10H20-1 + HO2 => C10H19 + H2O2', [6.320000e+02, 3.37, 13719.89]) # Reaction 1283 reaction('C10H20-1 => C7H14 + C3H6', [3.980000e+12, 0.0, 57629.06]) # Reaction 1284 reaction('C10H20-1 + O => C10H19 + OH', [5.520000e+06, 2.45, 2830.07]) # Reaction 1285 reaction('C10H21 + O2 => C10H21O2-1', [1.385000e+24, -3.135, 11252.15]) # Reaction 1286 reaction('C10H21O2-1 => O2 + C10H21', [4.084000e+19, -1.459, 37306.17]) # Reaction 1287 reaction('C10H21 => C2H4 + C8H17', [2.911000e+23, -2.83, 38503.11]) # Reaction 1288 reaction('C10H21 => N-C3H7 + C7H14', [3.251000e+22, -3.006, 30153.2]) # Reaction 1289 reaction('C10H21 => C6H12-1 + P-C4H9', [3.251000e+22, -3.006, 30153.2]) # Reaction 1290 reaction('C10H21 => C5H10 + C5H11', [5.005000e+13, -0.409, 29052.58]) # Reaction 1291 reaction('C10H21 => C2H5 + C8H16-1', [4.509000e+13, -0.397, 29019.84]) # Reaction 1292 reaction('C9H19CO => C9H19 + CO', [3.703000e+13, 0.0, 32315.97]) # Reaction 1293 reaction('C9H19CO => C8H17 + CH2CO', [3.503000e+33, -5.906, 42389.82]) # Reaction 1294 reaction('C9H19CO => C7H15CO + C2H4', [1.109000e+06, 0.0, 11773.9]) # Reaction 1295 reaction('C10H21O2-1 <=> C10OOH1-3', [2.500000e+10, 0.0, 20450.05]) # Reaction 1296 reaction('C10H21O2-1 => C10H20-1 + HO2', [4.308000e+36, -7.5, 39510.04]) # Reaction 1297 reaction('C10OOH1-3 + O2 <=> C10OOH1-3O2', [7.540000e+12, 0.0, 0.0]) # Reaction 1298 reaction('C10OOH1-3 => OH + CH2O + C9H18-1', [1.000000e+13, 0.0, 30000.0]) # Reaction 1299 reaction('C10KET1-3 => OH + CH2CHO + N-C7H15CHO', [1.000000e+16, 0.0, 39000.0]) # Reaction 1300 reaction('C10OOH1-3O2 => C10KET1-3 + OH', [2.500000e+10, 0.0, 23076.0]) # Reaction 1301 reaction('C11H21 => A-C3H5 + C8H16-1', [2.000000e+12, 0.0, 29971.32]) # Reaction 1302 reaction('C11H21 => C5H9 + C6H12-1', [2.000000e+12, 0.0, 29971.32]) # Reaction 1303 reaction('C11H21 => C9H17 + C2H4', [2.000000e+12, 0.0, 29971.32]) # Reaction 1304 reaction('C11H21 => C8H15 + C3H6', [2.000000e+12, 0.0, 29971.32]) # Reaction 1305 reaction('C11H22-1 => C8H16-1 + C3H6', [3.980000e+12, 0.0, 57629.06]) # Reaction 1306 reaction('C11H22-1 => C8H17 + A-C3H5', [2.500000e+16, 0.0, 71000.0]) # Reaction 1307 reaction('C11H22-1 + HO2 => C11H21 + H2O2', [6.950000e+02, 3.37, 13719.89]) # Reaction 1308 reaction('C11H22-1 + O => C11H21 + OH', [6.070000e+06, 2.45, 2830.07]) # Reaction 1309 reaction('C11H22-1 + CH3 => C11H21 + CH4', [1.660000e+01, 3.46, 5481.12]) # Reaction 1310 reaction('C11H23-1 + O2 <=> C11H23O2-1', [4.520000e+12, 0.0, 0.0]) # Reaction 1311 reaction('C11H23-1 + CH3 <=> N-C12H26', [1.000000e+13, 0.0, 0.0]) # Reaction 1312 reaction('C11H23-1 => C2H4 + C9H19', [9.120000e+11, 0.31, 27238.05]) # Reaction 1313 reaction('C11H23-1 => C11H22-1 + H', [1.891000e+12, 0.294, 35805.93]) # Reaction 1314 reaction('C11H23O2-1 => C11H22-1 + HO2', [4.308000e+36, -7.5, 39510.04]) # Reaction 1315 reaction('C12H23 => A-C3H5 + C9H18-1', [2.000000e+12, 0.0, 29971.32]) # Reaction 1316 reaction('C12H23 => C8H15 + P-C4H8', [2.000000e+12, 0.0, 29971.32]) # Reaction 1317 reaction('C12H23 => C5H9 + C7H14', [2.000000e+12, 0.0, 29971.32]) # Reaction 1318 reaction('C12H23 => C10H19 + C2H4', [2.000000e+12, 0.0, 29971.32]) # Reaction 1319 reaction('C12H23 => C9H17 + C3H6', [2.000000e+12, 0.0, 29971.32]) # Reaction 1320 reaction('C12H24 + OH => CH3CHO + C10H21', [1.056000e+06, 1.342, -6928.06]) # Reaction 1321 reaction('C12H24 + OH => CH2O + C11H23-1', [1.381000e+09, 0.0, -8825.53]) # Reaction 1322 reaction('C12H24 + OH => C2H5CHO + C9H19', [9.347000e+14, -1.293, -2312.86]) # Reaction 1323 reaction('C12H24 => C5H9 + C7H15', [3.706000e+21, -1.977, 71018.4]) # Reaction 1324 reaction('C12H24 + OH => N-C5H11CHO + C6H13', [1.481000e+17, -1.905, 1744.74]) # Reaction 1325 reaction('C12H24 + OH => C3H7CHO + C8H17', [1.371000e+14, -1.082, -2390.54]) # Reaction 1326 reaction('C12H24 => C9H19 + A-C3H5', [1.756000e+00, 4.327, 60379.54]) # Reaction 1327 reaction('C12H24 + OH => N-C4H9CHO + C7H15', [3.362000e+17, -1.933, 1619.74]) # Reaction 1328 reaction('H + C12H24 => C12H25', [4.335000e+05, 2.187, -1819.07]) # Reaction 1329 reaction('C12H25 => C12H24 + H', [1.830000e+12, 0.309, 36456.98], options='duplicate') # Reaction 1330 reaction('C12H24 + O => C12H23 + OH', [6.620000e+06, 2.45, 2830.07]) # Reaction 1331 reaction('C12H24 + HO2 => C12H23 + H2O2', [7.580000e+02, 3.37, 13719.89]) # Reaction 1332 reaction('C12H25 => P-C4H8 + C8H17', [7.870000e+16, -1.223, 30681.64]) # Reaction 1333 reaction('C12H25 + HO2 => C12H25O + OH', [7.000000e+12, -0.0, -1000.0]) # Reaction 1334 reaction('C12H25 + O2 => C12H25O2', [8.973000e+13, -0.324, 534.18]) # Reaction 1335 reaction('C12H25O2 => O2 + C12H25', [2.237000e+25, -2.989, 39552.1]) # Reaction 1336 reaction('C12H25 => CH3 + C11H22-1', [1.184000e+15, -0.636, 32402.72]) # Reaction 1337 reaction('C12H25 + CH3O2 => C12H25O + CH3O', [1.037000e+16, -0.952, 598.71]) # Reaction 1338 reaction('C12H25 => C2H4 + C10H21', [9.555000e-06, 5.098, 20340.82]) # Reaction 1339 reaction('C12H25 => C5H10 + C7H15', [2.100000e+08, 1.213, 25367.83]) # Reaction 1340 reaction('C12H25 => C12H24 + H', [2.518000e+11, 0.397, 35223.23], options='duplicate') # Reaction 1341 reaction('C12H25 => C3H6 + C9H19', [1.987000e+17, -1.265, 31516.73]) # Reaction 1342 reaction('C12H25 => C7H14 + C5H11', [1.032000e+14, -0.397, 29024.62]) # Reaction 1343 reaction('C12H25 => N-C3H7 + C9H18-1', [8.443000e+10, 0.481, 27153.92]) # Reaction 1344 reaction('C12H25 => C6H12-1 + C6H13', [6.656000e+10, 0.51, 27081.98]) # Reaction 1345 reaction('C12H25 => C2H5 + C10H20-1', [2.865000e+08, 1.175, 25461.76]) # Reaction 1346 reaction('C12H25 => P-C4H9 + C8H16-1', [1.301000e+14, -0.426, 29094.65]) # C12H25+O2=>C12H24+HO2 1.000e+11 0.000 9488.53 # C11H23-1+O2=>C11H22-1+HO2 1.000e+11 0.000 9488.53 # C10H21+O2=>C10H20-1+HO2 1.000e+11 0.000 9488.53 # C9H19+O2=>C9H18-1+HO2 1.000e+11 0.000 9488.53 # C8H17+O2=>C8H16-1+HO2 1.000e+11 0.000 9488.53 # C7H15+O2=>C7H14+HO2 1.000e+11 0.000 9488.53 # C6H13+O2=>C6H12-1+HO2 1.000e+11 0.000 9488.53 # C5H11+O2=>C5H10+HO2 1.000e+11 0.000 9488.53 # P-C4H9+O2=>P-C4H8+HO2 1.000e+11 0.000 9488.53 # Reaction 1347 reaction('N-C12H26 => N-C3H7 + C9H19', [5.439000e+24, -2.223, 88871.65]) # Reaction 1348 reaction('N-C12H26 + O2 => C12H25 + HO2', [2.000000e+14, 0.0, 49640.06]) # Reaction 1349 reaction('N-C12H26 + CH3 => C12H25 + CH4', [8.509000e+00, 3.555, 5469.65]) # Reaction 1350 reaction('N-C12H26 + O => C12H25 + OH', [3.912000e+06, 2.52, 2887.19]) # Reaction 1351 reaction('N-C12H26 => P-C4H9 + C8H17', [5.541000e+24, -2.229, 88808.8]) # Reaction 1352 reaction('N-C12H26 + C2H5 => C12H25 + C2H6', [5.000000e+11, 0.0, 10400.1]) # Reaction 1353 reaction('N-C12H26 + O2CHO => C12H25 + HO2CHO', [5.600000e+13, 0.0, 17690.01]) # Reaction 1354 reaction('N-C12H26 => H + C12H25', [2.188000e+19, -0.656, 98821.22]) # Reaction 1355 reaction('N-C12H26 + HO2 => C12H25 + H2O2', [3.518000e+02, 3.557, 13542.07]) # Reaction 1356 reaction('N-C12H26 => C2H5 + C10H21', [5.917000e+24, -2.259, 89055.45]) # Reaction 1357 reaction('N-C12H26 + CH3O2 => C12H25 + CH3O + OH', [6.269000e+01, 3.749, 14620.7]) # Reaction 1358 reaction('N-C12H26 + H => C12H25 + H2', [5.977000e+06, 2.521, 4429.49]) # Reaction 1359 reaction('N-C12H26 + CH3O => C12H25 + CH3OH', [1.450000e+12, 0.0, 4570.98]) # Reaction 1360 reaction('N-C12H26 + OH => C12H25 + H2O', [9.036000e+08, 1.544, 132.89]) # Reaction 1361 reaction('C7H15 + C5H11 => N-C12H26', [4.542000e+18, -1.689, 3905.35]) # Reaction 1362 reaction('N-C12H26 => C5H11 + C7H15', [2.932000e+24, -2.147, 88642.69]) # Reaction 1363 reaction('C12O-R4 + OH => C3H6 + C8H17CO + H2O', [1.255000e+11, 0.153, -828.15]) # Reaction 1364 reaction('C12O-R4 + OH => N-C3H7 + CO + C8H16-1 + H2O', [5.257000e+11, -0.004, 82.22]) # Reaction 1365 reaction('C12O-R4 + OH => C4H9CO + C7H14 + H2O', [3.386000e+11, 0.019, -407.27]) # Reaction 1366 reaction('C12O-R4 + OH => C2H5CO + C9H18-1 + H2O', [6.877000e+10, 0.209, -1050.67]) # Reaction 1367 reaction('C12O-R4 + OH => C2H4 + C9H19CO + H2O', [4.302000e+12, -0.204, 1688.58]) # Reaction 1368 reaction('C12O-R4 + OH => C11H22-1 + HCO + H2O', [1.693000e+13, -0.375, 2049.47]) # Reaction 1369 reaction('C12O-R4 + OH => CH3CO + C10H20-1 + H2O', [9.804000e+10, 0.184, -885.76]) # Reaction 1370 reaction('C12O-R4 + OH => C5H10 + C6H13CO + H2O', [9.877000e+11, -0.079, 286.09]) # Reaction 1371 reaction('C12O-R4 + OH => C6H12-1 + C5H11CO + H2O', [4.720000e+11, -0.02, -290.39]) # Reaction 1372 reaction('C12O-R4 + OH => P-C4H8 + C7H15CO + H2O', [1.063000e+11, 0.155, -943.59]) # Reaction 1373 reaction('C12O-R5 + OH => CH3COCH2 + C9H18-1 + H2O', [2.694000e+25, -3.972, 7608.03]) # Reaction 1374 reaction('C12O-R5 + OH => C2H5COCH2 + C8H16-1 + H2O', [1.168000e+25, -3.891, 7195.03]) # Reaction 1375 reaction('C12O-R5 + OH => C4H9CO + C7H14 + H2O', [1.308000e+17, -1.595, 2606.12]) # Reaction 1376 reaction('C12O-R5 + HO2 => C2H5COCH2 + C8H16-1 + H2O2', [2.337000e+25, -3.891, 24895.08]) # Reaction 1377 reaction('C12O-R5 + OH => C5H11CO + C6H12-1 + H2O', [4.373000e-03, 4.01, -8230.64]) # Reaction 1378 reaction('C12O-R5 + OH => P-C4H8 + C7H15CO + H2O', [4.686000e+20, -2.612, 4700.05]) # Reaction 1379 reaction('C12O-R5 + OH => C2H4 + C9H19CO + H2O', [2.843000e+24, -3.574, 9768.64]) # Reaction 1380 reaction('C12O-R5 + OH => CH2CHO + C10H20-1 + H2O', [2.507000e+28, -4.75, 11659.66]) # Reaction 1381 reaction('C12O-R5 + OH => C5H10 + C6H13CO + H2O', [9.088000e+20, -2.699, 4967.26]) # Reaction 1382 reaction('C12O-R5 + OH => C3H6 + C8H17CO + H2O', [1.450000e+21, -2.727, 5232.07]) # Reaction 1383 reaction('C12H25O => C6H13 + N-C5H11CHO', [2.872000e+12, 0.0, 15649.14]) # Reaction 1384 reaction('C12H25O => C11H23-1 + CH2O', [3.708000e+18, -1.581, 23140.54]) # Reaction 1385 reaction('C12H25O => C10H21 + CH3CHO', [4.866000e+12, 0.0, 16138.62]) # Reaction 1386 reaction('C12H25O => C8H17 + C3H7CHO', [7.806000e+36, -6.997, 31279.4]) # Reaction 1387 reaction('C12H25O => C7H15 + N-C4H9CHO', [2.905000e+12, 0.0, 15828.63]) # Reaction 1388 reaction('C12H25O => C9H19 + C2H5CHO', [2.735000e+12, 0.0, 15412.28]) # Reaction 1389 reaction('2 C12H25O2 => 2 C12H25O + O2', [1.601000e+14, -1.105, 970.6]) # Reaction 1390 reaction('C12H25O2 + CH3O2 => C12H25O + CH3O + O2', [1.115000e+21, -3.158, 3893.64]) # Reaction 1391 reaction('C12H25O2 => C12OOH-T6', [6.904000e+11, -0.385, 20986.62]) # Reaction 1392 reaction('C12OOH-T6 => C12H25O2', [7.962000e+09, -0.255, 7611.38]) # Reaction 1393 reaction('C12H25O2 => C12OOH-T7', [6.884000e+10, -0.37, 19203.15]) # Reaction 1394 reaction('C12OOH-T7 => C12H25O2', [9.462000e+08, -0.251, 5777.49]) # Reaction 1395 reaction('C12H25O2 => C12OOH-T5', [7.469000e+09, 0.394, 25952.44]) # Reaction 1396 reaction('C12OOH-T5 => C12H25O2', [7.232000e+12, -0.783, 17457.22]) # Reaction 1397 reaction('C12H25 + C12H25O2 => 2 C12H25O', [9.366000e+15, -0.939, 569.55]) # Reaction 1398 reaction('C12H25O2 => C12H24 + HO2', [1.905000e+38, -7.955, 39860.9]) # Reaction 1399 reaction('C12OOH-T5 => HO2 + C12H24', [5.764000e+20, -2.656, 21228.97]) # Reaction 1400 reaction('C12OOH-T6 + O2 => C12OOHO2-T6', [6.937000e+12, 0.007, -44.69]) # Reaction 1401 reaction('C12OOHO2-T6 => O2 + C12OOH-T6', [4.520000e+23, -2.497, 38480.88]) # Reaction 1402 reaction('C12OOH-T6 => OH + CH2O + C11H22-1', [9.722000e+00, 3.361, 24814.29]) # Reaction 1403 reaction('C12OOH-T6 => OH + N-C5H11CHO + C6H12-1', [8.899000e+20, -2.629, 34830.07]) # Reaction 1404 reaction('C12OOH-T6 => OH + N-C4H9CHO + C7H14', [2.298000e+19, -2.177, 33935.23]) # Reaction 1405 reaction('C12OOH-T6 => OH + P-C4H8 + N-C7H15CHO', [2.298000e+19, -2.177, 33935.23]) # Reaction 1406 reaction('C12OOH-T6 => OH + C5H10 + N-C6H13CHO', [8.899000e+20, -2.629, 34830.07]) # Reaction 1407 reaction('C12OOH-T6 => OH + CH3CHO + C10H20-1', [1.493000e+19, -2.068, 33865.68]) # Reaction 1408 reaction('C12OOH-T6 => OH + C3H6 + N-C8H17CHO', [2.576000e+15, -1.065, 31211.76]) # Reaction 1409 reaction('C12OOH-T6 => OH + C2H5CHO + C9H18-1', [1.429000e+20, -2.417, 33967.5]) # Reaction 1410 reaction('C12OOH-T6 => C12O-R4 + OH', [7.246000e+10, 0.004, 15240.68]) # Reaction 1411 reaction('C12OOH-T7 => C12O-R5 + OH', [9.375000e+09, -0.0, 7000.0]) # Reaction 1412 reaction('C12OOH-T7 + O2 => C12OOHO2-T7', [7.540000e+12, 0.0, -0.0]) # Reaction 1413 reaction('C12OOHO2-T7 => O2 + C12OOH-T7', [1.632000e+24, -2.637, 39001.67]) # Reaction 1414 reaction('C12KET-T6 => OH + C3H7CHO + C7H15CO', [3.423000e+22, -2.223, 42787.76]) # Reaction 1415 reaction('C12KET-T6 => OH + C5H11CO + N-C5H11CHO', [1.609000e+21, -1.844, 42038.24]) # Reaction 1416 reaction('C12KET-T6 => OH + C2H5COCH2 + N-C7H15CHO', [3.040000e+19, -1.367, 40484.46]) # Reaction 1417 reaction('C12KET-T6 => OH + C2H5CHO + C8H17CO', [1.666000e+21, -1.849, 42047.8]) # Reaction 1418 reaction('C12KET-T6 => OH + C4H9CO + N-C6H13CHO', [4.533000e+04, 3.025, 33167.3]) # Reaction 1419 reaction('C12KET-T6 => OH + C6H13CO + N-C4H9CHO', [3.369000e+22, -2.221, 42783.94]) # Reaction 1420 reaction('C12KET-T6 => OH + CH3CHO + C9H19CO', [3.587000e+17, -0.818, 39501.91]) # Reaction 1421 reaction('C12KET-T6 => OH + CH3COCH2 + N-C8H17CHO', [2.926000e+18, -1.01, 40360.9]) # Reaction 1422 reaction('C12KET-T7 => OH + C4H9CO + N-C6H13CHO', [1.529000e+20, -1.532, 41032.03]) # Reaction 1423 reaction('C12KET-T7 => OH + CH3CHO + C9H19CO', [2.148000e+21, -1.844, 42238.29]) # Reaction 1424 reaction('C12KET-T7 => OH + C5H11CO + N-C5H11CHO', [2.213000e+17, -0.722, 39484.23]) # Reaction 1425 reaction('C12KET-T7 => OH + C7H15CO + C3H7CHO', [2.114000e+22, -2.125, 42800.67]) # Reaction 1426 reaction('C12KET-T7 => OH + C6H13CO + N-C4H9CHO', [5.126000e+20, -1.66, 41912.28]) # Reaction 1427 reaction('C12KET-T7 => OH + C2H5CHO + C8H17CO', [2.031000e+22, -2.12, 42790.63]) # Reaction 1428 reaction('C12OOHO2-T6 => C12KET-T6 + OH', [3.667000e+11, -0.421, 18634.56]) # Reaction 1429 reaction('C12OOHO2-T7 => C12KET-T7 + OH', [3.005000e+09, -0.094, 15877.63]) # Reaction 1430 reaction('C6H12-1 + H => C6H11 + H2', [7.800000e+06, 2.4, 4464.63]) # Reaction 1431 reaction('C6H12-1 + OH => C6H11 + H2O', [2.800000e+08, 1.61, -34.89]) # Reaction 1432 reaction('C7H14 + H <=> C7H13 + H2', [9.100000e+06, 2.4, 4471.08]) # Reaction 1433 reaction('C8H16-1 + H => C8H15 + H2', [1.040000e+07, 2.4, 4471.08]) # Reaction 1434 reaction('C9H18-1 + H => C9H17 + H2', [1.170000e+07, 2.4, 4471.08]) # Reaction 1435 reaction('C10H20-1 + H => C10H19 + H2', [1.300000e+07, 2.4, 4471.08]) # Reaction 1436 reaction('C11H22-1 + H => C11H21 + H2', [1.430000e+07, 2.4, 4471.08]) # Reaction 1437 reaction('C12H24 + H => C12H23 + H2', [1.560000e+07, 2.4, 4471.08]) # Reaction 1438 reaction('C7H14 + OH => C7H13 + H2O', [3.276000e+08, 1.61, -34.89]) # Reaction 1439 reaction('C8H16-1 + OH => C8H15 + H2O', [3.740000e+08, 1.61, -34.89]) # Reaction 1440 reaction('C9H18-1 + OH => C9H17 + H2O', [4.210000e+08, 1.61, -34.89]) # Reaction 1441 reaction('C10H20-1 + OH => C10H19 + H2O', [4.680000e+08, 1.61, -34.89]) # Reaction 1442 reaction('C11H22-1 + OH => C11H21 + H2O', [5.150000e+08, 1.61, -34.89]) # Reaction 1443 reaction('C12H24 + OH => C12H23 + H2O', [5.620000e+08, 1.61, -34.89]) # Reaction 1444 reaction('N-C9H19CHO + OH => C9H19CO + H2O', [2.690000e+10, 0.76, -340.11]) # Reaction 1445 reaction('N-C9H19CHO + HO2 => C9H19CO + H2O2', [2.800000e+12, 0.0, 13599.9]) # Reaction 1446 reaction('N-C9H19CHO + H => C9H19CO + H2', [4.000000e+13, 0.0, 4200.05]) # Reaction 1447 reaction('C12OOH-T6 => OH + C2H4 + N-C9H19CHO', [2.346000e+17, -1.535, 36534.18]) # Reaction 1448 reaction('C12KET-T6 => OH + CH2CHO + N-C9H19CHO', [1.236000e-02, 5.058, 32086.04]) # Reaction 1449 reaction('H + C4H7 => C4H8-2', [5.000000e+13, 0.0, 0.0]) # Reaction 1450 reaction('C4H7 + HO2 => C4H8-2 + O2', [1.350000e+13, -0.18, -924.0]) # Reaction 1451 reaction('C4H8-2 + OH => C4H7 + H2O', [6.240000e+06, 2.0, -298.04]) # Reaction 1452 reaction('C4H8-2 + HO2 => C4H7 + H2O2', [1.928000e+04, 2.6, 13909.89]) # Reaction 1453 reaction('C4H8-2 + H => C4H7 + H2', [3.460000e+05, 2.5, 2492.11]) # Reaction 1454 reaction('C4H7 + H2 => C4H8-2 + H', [6.428000e+06, 1.99, 19659.89]) # Reaction 1455 reaction('C4H8-2 + H => P-C4H9', [2.500000e+11, 0.51, 2619.98]) # Reaction 1456 reaction('H + C2H5O2H => H2 + C2H5O2', [1.691000e+18, -1.14, 8438.1]) # Reaction 1457 reaction('C2H5O2H => C2H5O + OH', [6.310000e+14, 0.0, 42299.95]) # Reaction 1458 reaction('C2H5O2 + HO2 => C2H5O2H + O2', [1.750000e+10, 0.0, -3275.1]) # Reaction 1459 reaction('C2H5O2 + CH2O => C2H5O2H + HCO', [1.990000e+12, 0.0, 11659.89]) # Reaction 1460 reaction('C2H5CHO + C2H5O2 => C2H5CO + C2H5O2H', [3.010000e+12, 0.0, 11919.93]) # Reaction 1461 reaction('CH3CHCO + OH => C2H5 + CO2', [1.730000e+12, 0.0, -1010.04]) # Reaction 1462 reaction('CH3CHCO + O => CH3CHO + CO', [3.200000e+12, 0.0, -436.9]) # Reaction 1463 reaction('CH3CHCO + H => C2H5 + CO', [4.400000e+12, 0.0, 1458.89]) # Reaction 1464 reaction('C3H6 + O => CH3CHCO + 2 H', [2.500000e+07, 1.76, 76.0]) # Reaction 1465 reaction('CH3CHCHO + O2 => CH3CHO + CO + OH', [3.620000e+10, 0.0, 0.0]) # Reaction 1466 reaction('CH3CHCHO => CH3CHCO + H', [1.135000e+16, -0.66, 40309.99]) # Reaction 1467 reaction('CH3CHCO + H => CH3CHCHO', [5.000000e+12, 0.0, 1200.05]) # Reaction 1468 reaction('CH3CHCHO + O2 => CH3CHCO + HO2', [1.810000e+11, 0.0, 1840.11]) # Reaction 1469 reaction('CH3CHCHO => C2H3CHO + H', [3.515000e+15, -0.51, 41059.99]) # Reaction 1470 reaction('C2H3CHO + H => CH3CHCHO', [6.500000e+12, 0.0, 2900.1]) # Reaction 1471 reaction('C2H5CHO + HO2 => CH3CHCHO + H2O2', [8.000000e+10, 0.0, 11919.93]) # MCH SUB-MECHANISM BEGINS # Reaction 1472 reaction('2 CH3O => CH3OH + CH2O', [6.030000e+13, 0.0, 0.0]) # Reaction 1473 reaction('CH3OH + HO2 => CH2OH + H2O2', [3.980000e+13, 0.0, 19400.1]) # Reaction 1474 reaction('OCHO + H2O2 => HOCHO + HO2', [2.400000e+12, 0.0, 10000.0]) # Reaction 1475 reaction('OCHO + HO2 => HOCHO + O2', [3.500000e+10, 0.0, -3275.1]) # Reaction 1476 reaction('C2H2 + HCO => C2H3 + CO', [1.000000e+07, 2.0, 6000.0]) # Reaction 1477 reaction('C2H3 + HO2 => CH2CHO + OH', [1.000000e+13, 0.0, 0.0]) # Reaction 1478 reaction('C2H4 + O => C2H3 + OH', [2.420000e+11, 0.7, 8960.33]) # Reaction 1479 reaction('CH3CHO + OH => CH3 + HOCHO', [3.000000e+15, -1.08, 0.0]) # Reaction 1480 reaction('A-C3H5 + O2 => CH3CO + CH2O', [1.190000e+15, -1.01, 20128.11]) # Reaction 1481 reaction('N-C3H7O2 + HO2 => N-C3H7O + OH + O2', [1.750000e+11, 0.0, -1711.04]) # Reaction 1482 reaction('N-C3H7O2 + CH2O => N-C3H7O + OH + HCO', [5.600000e+12, 0.0, 13599.9]) # Reaction 1483 reaction('I-C4H5 + HO2 => C2H3 + CH2CO + OH', [6.600000e+12, 0.0, 0.0]) # Reaction 1484 reaction('C4H8-2 + OH => C2H5 + CH3CHO', [2.600000e+13, 0.0, 0.0]) # Reaction 1485 reaction('O + C5H81-3 => OH + CDCCDCCJ', [5.240000e+11, 0.7, 5884.08]) # Reaction 1486 reaction('OH + C5H81-3 => H2O + CDCCDCCJ', [3.120000e+06, 2.0, -298.04]) # Reaction 1487 reaction('C5H81-3 + H => H2 + CDCCDCCJ', [2.232000e+06, 2.278, -2057.84]) # Reaction 1488 reaction('C5H9 => C2H3 + C3H6', [2.030000e+13, 0.17, 57731.84]) # Reaction 1489 reaction('C7H13 => C2H4 + C5H9', [2.000000e+12, 0.0, 29971.32]) # Reaction 1490 reaction('C7H13 => C5H81-3 + C2H5', [2.000000e+12, 0.0, 29971.32]) # Reaction 1491 reaction('C7H13 => C4H6 + N-C3H7', [2.000000e+12, 0.0, 29971.32]) # Reaction 1492 reaction('S-C2H4OH + O2 => CH3CHO + HO2', [3.810000e+06, 2.0, 1641.01]) # Reaction 1493 three_body_reaction('S-C2H4OH + M => CH3CHO + H + M', [1.000000e+14, 0.0, 25000.0]) # Reaction 1494 reaction('CH3CHCO + OH => S-C2H4OH + CO', [2.000000e+12, 0.0, -1010.04]) # Reaction 1495 reaction('C2H4O2H => C2H4 + HO2', [9.290000e+30, -6.1, 19929.97]) # Reaction 1496 reaction('C2H5 + O2 => C2H4O2H', [2.420000e+35, -8.03, 8311.9]) # Reaction 1497 reaction('C2H5O2 => C2H4O2H', [5.640000e+47, -11.44, 37320.03]) # Reaction 1498 reaction('2 A-C3H5 => X15-C6H10', [6.630000e+14, -0.57, 0.0]) # Reaction 1499 reaction('X15-C6H10 => 2 A-C3H5', [4.123000e+20, -1.558, 59722.75]) # Reaction 1500 reaction('CH2CH2CHO => C2H4 + HCO', [3.127000e+13, -0.52, 24590.11]) # Reaction 1501 reaction('C2H4 + HCO => CH2CH2CHO', [1.500000e+11, 0.0, 8299.95]) # Reaction 1502 reaction('CH3CHCHO + HO2 => CH3CHOCHO + OH', [9.640000e+12, 0.0, 0.0]) # Reaction 1503 reaction('CH3CHCHO + O2 => C2H3CHO + HO2', [2.725000e+11, 0.0, 7239.96]) # Reaction 1504 reaction('CH3CHOCHO => CH3CHO + HCO', [3.980000e+13, 0.0, 9700.05]) # Reaction 1505 reaction('I-C4H5 + CH3 => I-C5H8', [6.630000e+14, -0.57, 0.0]) # Reaction 1506 reaction('I-C5H8 => CH3 + I-C4H5', [1.555000e+24, -2.216, 94351.1]) # Reaction 1507 reaction('C4H6 + HO2 => C2H3CHOCH2 + OH', [4.800000e+12, 0.0, 14000.0]) # Reaction 1508 reaction('CC5H9A => C4H6 + CH3', [4.265000e+11, 0.42, 30616.63]) # Reaction 1509 reaction('CH3 + C4H6 => CC5H9A', [1.739000e+07, 1.247, 10239.01]) # Reaction 1510 reaction('CJDCCDCDO => HCCO + C2H2', [4.489000e+21, -2.432, 43029.16]) # Reaction 1511 reaction('CDCCDCDO + OH => CJDCCDCDO + H2O', [2.020000e+13, 0.0, 5933.08]) # Reaction 1512 reaction('H2O + CJDCCDCDO => OH + CDCCDCDO', [7.275000e+11, 0.18, 13014.01]) # Reaction 1513 reaction('CDCCDCDO + H => A-C3H5 + CO', [6.600000e+13, -0.02, 2739.96]) # Reaction 1514 reaction('C2H3CHCHO => A-C3H5 + CO', [1.000000e+14, 0.0, 25000.0]) # Reaction 1515 reaction('CO + A-C3H5 => C2H3CHCHO', [1.338000e+08, 1.608, 16734.7]) # Reaction 1516 reaction('S-C3H5CO => S-C3H5 + CO', [8.600000e+15, 0.0, 23000.0]) # Reaction 1517 reaction('C2H3CHOCH2 => C4H6O23', [2.000000e+14, 0.0, 50599.9]) # Reaction 1518 reaction('C4H6O23 => S-C3H5CHO', [1.950000e+13, 0.0, 49400.1]) # Reaction 1519 reaction('C4H6O23 => C2H4 + CH2CO', [5.750000e+15, 0.0, 69299.95]) # Reaction 1520 reaction('S-C3H5CHO => C3H6 + CO', [3.900000e+14, 0.0, 69000.0]) # Reaction 1521 reaction('S-C3H5CHO + H => C2H3CHCHO + H2', [1.700000e+05, 2.5, 2489.96]) # Reaction 1522 reaction('S-C3H5CHO + OH => S-C3H5CO + H2O', [2.690000e+10, 0.76, -340.11]) # Reaction 1523 reaction('S-C3H5CHO => H + C2H3CHCHO', [1.114000e+18, -0.382, 86392.69]) # Reaction 1524 reaction('C3H6CHO-1 => C2H4 + CH2CHO', [7.400000e+11, 0.0, 21969.89]) # Reaction 1525 reaction('C3H7CHO + OH => C3H6CHO-1 + H2O', [5.270000e+09, 0.97, 1586.04]) # Reaction 1526 reaction('C3H7CHO + HO2 => C3H6CHO-1 + H2O2', [9.030000e-01, 3.65, 7152.96]) # Reaction 1527 reaction('C3H6CHO-1 + H2O2 => C3H7CHO + HO2', [1.108000e+00, 3.31, -4874.04]) # Reaction 1528 reaction('C5H5 + HO2 => CPDOOH', [1.990000e+68, -17.17, 19570.03]) # Reaction 1529 reaction('CDCCDCCJ + H => N-C4H5 + CH3', [2.910000e+26, -2.18, 36770.08]) # Reaction 1530 reaction('CH3 + N-C4H5 => H + CDCCDCCJ', [8.212000e+16, -0.167, 14098.95]) # Reaction 1531 reaction('CDCCDCCJ + H => C5H81-3', [2.330000e+20, -1.6, 3020.08]) # Reaction 1532 reaction('C5H81-3 => H + CDCCDCCJ', [2.336000e+22, -1.689, 87459.37]) # Reaction 1533 reaction('CDCCDCCJ + O2 => C2H3CHCHO + CH2O', [8.160000e+10, 0.18, 9140.06]) # Reaction 1534 reaction('CDCCJCDC => CDCCDCCJ', [5.350000e+11, -0.7, 59.99]) # Reaction 1535 reaction('CDCCDCCJ => CDCCJCDC', [2.609000e+12, -1.058, 328.39]) # Reaction 1536 reaction('C5H6 + H => CDCCJCDC', [1.400000e+14, -0.18, 3150.1]) # Reaction 1537 reaction('CDCCJCDC => H + C5H6', [9.267000e+13, -0.434, 37908.7]) # Reaction 1538 reaction('I-C5H7 + H => I-C5H8', [1.990000e+14, 0.0, 0.0]) # Reaction 1539 reaction('I-C5H7 + HO2 => IC5H6OJ + OH', [7.000000e+12, 0.0, -1000.0]) # Reaction 1540 reaction('I-C5H7 => A-C3H4 + C2H3', [3.263000e+15, -0.265, 70143.4]) # Reaction 1541 reaction('I-C5H8 + O => I-C5H7 + OH', [9.650000e+04, 2.68, 3716.54]) # Reaction 1542 reaction('I-C5H8 + H => AC5H9D', [1.320000e+13, 0.0, 3260.04]) # Reaction 1543 reaction('AC5H9D => H + I-C5H8', [2.817000e+11, 0.279, 32785.37]) # Reaction 1544 reaction('I-C5H8 + H => CC5H9A', [1.320000e+13, 0.0, 4659.89]) # Reaction 1545 reaction('I-C5H8 + H => I-C5H7 + H2', [6.600000e+05, 2.54, 6756.69]) # Reaction 1546 reaction('I-C5H8 + OH => I-C5H7 + H2O', [2.000000e+08, 1.46, 537.76]) # Reaction 1547 reaction('T-C3H5 + C2H4 <=> AC5H9D', [1.880000e+06, 1.84, 3059.27]) # Reaction 1548 reaction('C2H3 + C3H6 => CC5H9A', [9.450000e+02, 2.67, 6849.9]) # Reaction 1549 reaction('CC5H9A => C3H6 + C2H3', [8.249000e+11, 0.731, 42308.32]) # Reaction 1550 reaction('CPDJONE + O2 => CO2 + CJDCCDCDO', [9.670000e+58, -13.47, 38179.97]) # Reaction 1551 reaction('C5H4O + OH => H2O + CPDJONE', [5.300000e+07, 1.42, 1451.0]) # Reaction 1552 reaction('CPDJONE + H2O => OH + C5H4O', [4.294000e+06, 1.745, 12343.45]) # Reaction 1553 reaction('CY-C5H4OH => C5H4O + H', [1.000000e+13, 0.0, 47450.05]) # Reaction 1554 reaction('H + C5H4O => CY-C5H4OH', [3.280000e+10, 0.767, -1401.22]) # Reaction 1555 reaction('CY-C5H4OH + H => CH2O + 2 C2H2', [3.000000e+13, 0.0, 0.0]) # Reaction 1556 reaction('IC5H6OJ => N-C4H5 + CH2O', [1.455000e+22, -2.106, 30819.55]) # Reaction 1557 reaction('C3H6COCH3-1 => C2H4 + CH3COCH2', [2.904000e+16, -1.21, 27000.0]) # Reaction 1558 reaction('C4H8CHO-1 => C2H4 + CH2CH2CHO', [3.527000e+11, 0.0, 23022.47]) # Reaction 1559 reaction('C4H8CHO-1 => C3H6 + CH2CHO', [3.044000e+12, -0.171, 22754.3]) # Reaction 1560 reaction('CPDOOH => T-C5H5O + OH', [2.880000e+76, -18.42, 75719.89]) # Reaction 1561 reaction('H + A1 <=> CY-C6H7', [4.030000e+13, 0.0, 4311.66]) # Reaction 1562 reaction('X13CYCHEX => A1 + H2', [4.000000e+12, 0.0, 57399.62]) # Reaction 1563 reaction('X13CYCHEX => CY-C6H7 + H', [5.010000e+15, 0.0, 72599.9]) # Reaction 1564 reaction('X13CYCHEX + H => CY-C6H7 + H2', [1.000000e+14, 0.0, 3900.57]) # Reaction 1565 reaction('X13CYCHEX + OH => CY-C6H7 + H2O', [2.250000e+13, 0.0, 1217.02]) # Reaction 1566 reaction('CYCHEXENE => C4H6 + C2H4', [4.000000e+12, 0.0, 57399.62]) # Reaction 1567 reaction('CYCHEXENE + OH => CYCC6H92 + H2O', [9.340000e+07, 1.61, -34.89]) # Reaction 1568 reaction('CYCHEXENE + O => CYCC6H92 + OH', [1.102000e+06, 2.45, 2830.07]) # Reaction 1569 reaction('CYCHEXENE + OH => CYCC6H91 + H2O', [5.528000e+04, 2.64, -1918.98]) # Reaction 1570 reaction('CYCHEXENE + O => CYCC6H91 + OH', [1.320000e+06, 2.43, 1210.09]) # Reaction 1571 reaction('HO2 + CYCHEXENE => H2O2 + CYCC6H91', [8.000000e+12, 0.0, 16000.0]) # Reaction 1572 reaction('CYCHEXENE + H => CYCC6H91 + H2', [6.752000e+05, 2.36, 206.98]) # Reaction 1573 reaction('CYCHEXENE + H => CYCC6H92 + H2', [2.600000e+06, 2.4, 4471.08]) # Reaction 1574 reaction('HO2 + CYCHEXENE => H2O2 + CYCC6H92', [8.000000e+12, 0.0, 16000.0]) # Reaction 1575 reaction('X13CYCHEX + H <=> CYCC6H92', [1.320000e+13, 0.0, 3260.04]) # Reaction 1576 reaction('X13CYCHEX + H <=> CYCC6H91', [1.320000e+13, 0.0, 3260.04]) # Reaction 1577 reaction('X14CYCHEX + H <=> CYCC6H92', [1.320000e+13, 0.0, 3260.04]) # Reaction 1578 reaction('X15C6H93 => CYCC6H92', [8.370000e+02, 2.349, 5467.02]) # R2 # Reaction 1579 reaction('CYCC6H92 => X15C6H93', [5.582000e+06, 2.104, 17216.3]) # R2 # Reaction 1580 reaction('X13C6H96 <=> CYCC6H91', [5.310000e+04, 1.921, 6663.48]) # Reaction 1581 reaction('X13C6H96 => N-C4H5 + C2H4', [2.519000e+11, 0.774, 41057.12]) # Reaction 1582 reaction('X15C6H93 => C2H3 + C4H6', [1.000000e+20, -1.0, 46653.92]) # Reaction 1583 reaction('X15-C6H10 + O => X15C6H93 + OH', [1.320000e+06, 2.43, 1210.09]) # Reaction 1584 reaction('X15-C6H10 + OH => X15C6H93 + H2O', [5.528000e+04, 2.64, -1918.98]) # Reaction 1585 reaction('X135 + H <=> X13C6H96', [1.320000e+13, 0.0, 3260.04]) # Reaction 1586 reaction('X135 + H => X15C6H93', [2.640000e+13, 0.0, 3260.04]) # R2 # Reaction 1587 reaction('X15C6H93 => H + X135', [1.012000e+14, -0.198, 42488.05]) # R2 # Reaction 1588 reaction('X13-C6H10 + H => C6H11', [1.320000e+13, 0.0, 3260.04]) # Reaction 1589 reaction('C6H11 => H + X13-C6H10', [2.840000e+14, -0.087, 45547.08]) # Reaction 1590 reaction('CYCHEXRAD => C6H11X', [2.750000e+12, 0.624, 30779.16]) # Reaction 1591 reaction('C6H11X => CYCHEXRAD', [5.310000e+04, 1.921, 6663.48]) # Reaction 1592 reaction('CYCHEXRAD <=> CYCHEXENE + H', [8.910000e+11, 0.834, 36304.97]) # Reaction 1593 reaction('C6H11 => H + X15-C6H10', [9.866000e+15, -0.359, 55197.42]) # Reaction 1594 reaction('C6H11X => C4H7 + C2H4', [2.000000e+12, 0.0, 29899.62]) # Reaction 1595 reaction('C6H11X => C6H11', [1.550000e+02, 2.83, 15549.71]) # Reaction 1596 reaction('C6H11 => C6H11X', [2.973000e+02, 3.01, 32903.44]) # Reaction 1597 reaction('CHX1O2J => 2 C2H4 + HCCO', [4.240000e+15, 0.195, 36287.05]) # Reaction 1598 reaction('CHX1O2J => C2H3 + CH2CO + C2H4', [8.110000e+13, 0.508, 28516.97]) # Reaction 1599 reaction('HCO + CHXO12 => CHXCHO2OJ', [1.000000e+11, 0.0, 5500.0]) # Reaction 1600 reaction('CHXCHO2OJ => CHXO12 + HCO', [2.546000e+18, -1.777, 29481.36]) # Reaction 1601 reaction('CH3 + CHX1O2O => MCH2O1OJ', [8.000000e+12, 0.0, 8500.0]) # Reaction 1602 reaction('MCH2O1OJ => CHX1O2O + CH3', [1.438000e+25, -2.738, 18076.72]) # Reaction 1603 reaction('CH3 + CHX1O3O => MCHOOJ-T6', [8.000000e+12, 0.0, 8500.0]) # Reaction 1604 reaction('MCHOOJ-T6 => CHX1O3O + CH3', [6.199000e+12, 0.0, 17773.42]) # Reaction 1605 reaction('H + A1CH3 <=> MCHJDE', [4.030000e+13, 0.0, 4311.66]) # Reaction 1606 reaction('MCHDE + OH => MCHJDE + H2O', [2.250000e+13, 0.0, 1217.02]) # Reaction 1607 reaction('MCHDE + H => MCHJDE + H2', [1.000000e+14, 0.0, 3900.57]) # Reaction 1608 reaction('MCHJE + O2 => MCHDE + HO2', [6.000000e+13, 0.0, 15469.89]) # Reaction 1609 reaction('HO2 + MCHJE => O2 + MCHE', [1.692000e+13, 0.028, 899.62]) # Reaction 1610 reaction('MCHJE => MCHDE + H', [2.050000e+18, -1.28, 51816.44]) # Reaction 1611 reaction('MCHDE + H => MCHJE', [1.320000e+13, 0.0, 3260.04]) # Reaction 1612 reaction('X13C7H116 => MCHJE', [5.310000e+04, 1.921, 6663.48]) # Reaction 1613 reaction('MCHJE => X13C7H116', [2.940000e+12, 0.77, 41316.92]) # Reaction 1614 reaction('X13C7H116 => N-C4H5 + C3H6', [2.519000e+11, 0.774, 41057.12]) # Reaction 1615 reaction('X13C7H116 => X135C7H10 + H', [2.664000e+11, 0.3, 32385.28]) # Reaction 1616 reaction('X135C7H10 + H <=> X15C7H114', [1.320000e+13, 0.0, 3260.04]) # Reaction 1617 reaction('X15C7H114 => C2H3 + C5H81-3', [1.000000e+20, -1.0, 46653.92]) # Reaction 1618 reaction('A-C3H5 + I-C4H7 <=> X15C7H12', [6.630000e+14, -0.57, 0.0]) # Reaction 1619 reaction('C7H13 => H + X15C7H12', [1.547000e+14, -0.22, 36460.56], options='duplicate') # Reaction 1620 reaction('C7H13 => H + X15C7H12', [1.547000e+14, -0.22, 36460.56], options='duplicate') # Reaction 1621 reaction('CYCHEXCH2 + O2 => CHXDCH2 + HO2', [1.200000e+12, 0.0, 6400.1]) # Reaction 1622 reaction('CHXDCH2 + HO2 => MCH1QX', [8.000000e+10, 0.0, 6000.0]) # Reaction 1623 reaction('MCH1QX => HO2 + CHXDCH2', [6.259000e+21, -2.775, 16411.57]) # Reaction 1624 reaction('CHXDCH2 + HO2 => CHXJ1CH2Q', [1.600000e+11, 0.0, 7700.05]) # Reaction 1625 reaction('CHXJ1CH2Q => HO2 + CHXDCH2', [1.308000e+18, -1.756, 15458.08]) # Reaction 1626 reaction('CHXDCH2 + H => CYCHEXCH2', [6.250000e+11, 0.51, 2619.98]) # Reaction 1627 reaction('MCHE + HO2 => MCHJE + H2O2', [2.800000e+12, 0.0, 14900.1]) # Reaction 1628 reaction('MCHE + HO2 => MCH2QJ1', [8.000000e+10, 0.0, 7000.0]) # Reaction 1629 reaction('MCH2QJ1 => HO2 + MCHE', [2.988000e+22, -3.008, 20154.42]) # Reaction 1630 reaction('MCHE + H => MCHJE + H2', [1.000000e+14, 0.0, 3900.57]) # Reaction 1631 reaction('MCHE + OH => MCHJE + H2O', [4.500000e+13, 0.0, 2217.02]) # Reaction 1632 reaction('MCHE + HO2 => MCHQ-T5S', [3.598000e+11, 0.034, 6680.69]) # Reaction 1633 reaction('MCHQ-T5S => HO2 + MCHE', [3.749000e+22, -2.96, 19095.12]) # Reaction 1634 reaction('MCHR4 <=> MCHE + H', [2.970000e+11, 0.834, 36304.97]) # Reaction 1635 reaction('MCHR3 <=> MCHE + H', [5.940000e+11, 0.834, 36304.97]) # Reaction 1636 reaction('MCHR2 <=> MCHE + H', [5.940000e+11, 0.834, 36304.97]) # Reaction 1637 reaction('MCHR1 <=> MCHE + H', [2.970000e+11, 0.834, 36304.97]) # Reaction 1638 reaction('MCHR1 <=> CHXDCH2 + H', [4.450000e+11, 0.834, 36304.97]) # Reaction 1639 reaction('MCHE => I-C5H8 + C2H4', [4.000000e+12, 0.0, 57399.62]) # Reaction 1640 reaction('C7H12 + H => C7H13', [1.320000e+13, -0.0, 3260.04]) # Reaction 1641 reaction('C7H13 => H + C7H12', [3.284000e+10, 0.608, 29672.56]) # Reaction 1642 reaction('AC7H13C => C2H5 + I-C5H8', [2.488000e+14, 0.279, 38354.45]) # Reaction 1643 reaction('AC7H13F => C2H4 + AC5H9D', [1.256000e+13, 0.406, 29418.02]) # Reaction 1644 reaction('AC7H13F => AC7H13C', [3.670000e+12, -0.6, 15299.95]) # Reaction 1645 reaction('AC7H13F => MCHR1', [5.310000e+04, 1.921, 6644.36]) # Reaction 1646 reaction('MCHR1 => AC7H13F', [2.750000e+12, 0.624, 30780.59]) # Reaction 1647 reaction('C7H13 => MCHR3', [5.310000e+04, 1.921, 6644.36]) # Reaction 1648 reaction('MCHR3 => C7H13', [2.621000e+12, 0.63, 30780.59]) # Reaction 1649 reaction('C7H13 => MCHR2', [5.310000e+04, 1.921, 6644.36]) # Reaction 1650 reaction('MCHR2 => C7H13', [2.621000e+12, 0.63, 30780.59]) # Reaction 1651 reaction('C7H13 => CYCHEXCH2', [5.310000e+04, 1.921, 6644.36]) # Reaction 1652 reaction('CYCHEXCH2 => C7H13', [2.621000e+12, 0.63, 30780.59]) # Reaction 1653 reaction('CYCHEXCH2 + HO2 => CHXCH2OJ + OH', [7.000000e+12, 0.0, -1000.0]) # Reaction 1654 reaction('CYCHEXCH2 + O2 => CHXCH2OO', [2.000000e+12, 0.0, 0.0]) # Reaction 1655 reaction('CHXCH2OO => O2 + CYCHEXCH2', [2.900000e+20, -1.817, 35719.89]) # Reaction 1656 reaction('EC7H13A => C3H6 + C4H7', [1.512000e+12, 0.523, 12547.8]) # Reaction 1657 reaction('EC7H13A => MCHR4', [5.310000e+04, 1.921, 6644.36]) # Reaction 1658 reaction('MCHR4 => EC7H13A', [2.750000e+12, 0.624, 30780.59]) # Reaction 1659 reaction('GC7H13I => C2H5 + I-C5H8', [1.326000e+14, 0.461, 39119.26]) # Reaction 1660 reaction('GC7H13L => MCHR2', [5.310000e+04, 1.921, 6644.36]) # Reaction 1661 reaction('MCHR2 => GC7H13L', [2.750000e+12, 0.624, 30780.59]) # Reaction 1662 reaction('GC7H13L => GC7H13I', [3.670000e+12, -0.6, 13000.0]) # Reaction 1663 reaction('GC7H13L => C2H4 + CC5H9A', [6.733000e+12, 0.396, 29425.43]) # Reaction 1664 reaction('KC7H13G => MCHR3', [5.310000e+04, 1.921, 6644.36]) # Reaction 1665 reaction('MCHR3 => KC7H13G', [2.750000e+12, 0.624, 30780.59]) # Reaction 1666 reaction('KC7H13G => C2H4 + C5H9', [8.908000e+10, 0.56, 15859.23]) # Reaction 1667 reaction('MCHR1 + O2 => MCH1OO', [1.500000e+12, 0.0, 0.0]) # Reaction 1668 reaction('MCH1OO => O2 + MCHR1', [1.803000e+24, -2.816, 38350.86]) # Reaction 1669 reaction('MCHR1 + HO2 => MCH1OJ + OH', [7.000000e+12, 0.0, -1000.0]) # Reaction 1670 reaction('MCHR1 + O2 => MCHE + HO2', [1.200000e+12, 0.0, 8099.9]) # Reaction 1671 reaction('MCHR2 => CH3 + CYCHEXENE', [1.518000e+13, 0.396, 32820.27]) # Reaction 1672 reaction('MCHR2 + HO2 => MCH2OJ + OH', [7.000000e+12, 0.0, -1000.0]) # Reaction 1673 reaction('MCHR2 + O2 => MCHE + HO2', [9.000000e+11, 0.0, 7530.11]) # Reaction 1674 reaction('MCHR2 + O2 => MCH2OO', [3.000000e+12, 0.0, 0.0]) # Reaction 1675 reaction('MCH2OO => O2 + MCHR2', [9.053000e+22, -2.419, 37596.8]) # Reaction 1676 reaction('MCHR3 + O2 => MCHE + HO2', [1.200000e+12, 0.0, 8099.9]) # Reaction 1677 reaction('MCHR3 + O2 => MCH3OO', [3.000000e+12, 0.0, 0.0]) # Reaction 1678 reaction('MCH3OO => O2 + MCHR3', [9.054000e+22, -2.419, 37596.8]) # Reaction 1679 reaction('MCHR3 + HO2 => MCH3OJ + OH', [7.000000e+12, 0.0, -1000.0]) # Reaction 1680 reaction('MCHR4 + O2 => MCH4OO', [1.500000e+12, 0.0, 0.0]) # Reaction 1681 reaction('MCH4OO => O2 + MCHR4', [4.527000e+22, -2.419, 37596.8]) # Reaction 1682 reaction('MCHR4 + HO2 => MCH4OJ + OH', [7.000000e+12, 0.0, -1000.0]) # Reaction 1683 reaction('MCHR4 + O2 => MCHE + HO2', [1.200000e+12, 0.0, 8099.9]) # Reaction 1684 reaction('MCH-C7H14 <=> C7H14', [5.570000e+69, -15.49, 121062.14], options='duplicate') # Reaction 1685 reaction('MCH-C7H14 <=> C7H14', [9.660000e+68, -15.21, 118621.41], options='duplicate') # Reaction 1686 reaction('MCH-C7H14 + CH3 => CYCHEXCH2 + CH4', [4.521000e-01, 3.65, 7153.92]) # Reaction 1687 reaction('MCH-C7H14 + O => MCHR4 + OH', [5.510000e+05, 2.45, 2830.07]) # Reaction 1688 reaction('MCH-C7H14 + CH3O => MCHR1 + CH3OH', [2.290000e+10, 0.0, 2873.09]) # Reaction 1689 reaction('MCH-C7H14 + O => MCHR1 + OH', [3.830000e+05, 2.41, 1140.06]) # Reaction 1690 reaction('MCH-C7H14 + O2 => MCHR3 + HO2', [4.000000e+13, 0.0, 49640.06]) # Reaction 1691 reaction('MCH-C7H14 + CH3O => MCHR3 + CH3OH', [2.900000e+11, 0.0, 4570.98]) # Reaction 1692 reaction('MCH-C7H14 => CH3 + CYCHEXRAD', [5.930000e+64, -14.15, 108382.17]) # Reaction 1693 reaction('MCH-C7H14 + O => MCHR3 + OH', [1.102000e+06, 2.45, 2830.07]) # Reaction 1694 reaction('MCH-C7H14 + CH3 => MCHR1 + CH4', [6.010000e-10, 6.362, 892.93]) # Reaction 1695 reaction('MCH-C7H14 + CH3 => MCHR3 + CH4', [3.020000e+00, 3.46, 5481.12]) # Reaction 1696 reaction('MCH-C7H14 + O => MCHR2 + OH', [1.102000e+06, 2.45, 2830.07]) # Reaction 1697 reaction('MCH-C7H14 + CH3O => MCHR2 + CH3OH', [2.900000e+11, 0.0, 4570.98]) # Reaction 1698 reaction('MCH-C7H14 + CH3 => MCHR2 + CH4', [3.020000e+00, 3.46, 5481.12]) # Reaction 1699 reaction('MCH-C7H14 + O2 => MCHR2 + HO2', [4.000000e+13, 0.0, 49640.06]) # Reaction 1700 reaction('MCH-C7H14 + O => CYCHEXCH2 + OH', [9.798000e+05, 2.43, 4750.0]) # Reaction 1701 reaction('MCH-C7H14 + CH3O => CYCHEXCH2 + CH3OH', [2.170000e+11, 0.0, 6457.93]) # Reaction 1702 reaction('MCH-C7H14 + CH3 => MCHR4 + CH4', [1.510000e+00, 3.46, 5481.12]) # Reaction 1703 reaction('MCH-C7H14 + CH3O => MCHR4 + CH3OH', [1.450000e+11, 0.0, 4570.98]) # Reaction 1704 reaction('MCH-C7H14 + HO2 => MCHR1 + H2O2', [6.500000e+02, 3.01, 12078.39]) # Reaction 1705 reaction('MCH-C7H14 + HO2 => MCHR2 + H2O2', [1.264000e+02, 3.37, 13706.98]) # Reaction 1706 reaction('MCH-C7H14 + HO2 => MCHR3 + H2O2', [1.264000e+02, 3.37, 13706.98]) # Reaction 1707 reaction('MCH-C7H14 + HO2 => MCHR4 + H2O2', [6.320000e+01, 3.37, 13706.98]) # Reaction 1708 reaction('MCH-C7H14 + HO2 => CYCHEXCH2 + H2O2', [2.040000e+01, 3.59, 17158.22]) # Reaction 1709 reaction('CH3O2 + MCH-C7H14 => CH3O + OH + MCHR1', [2.060000e+02, 3.12, 13177.34]) # Reaction 1710 reaction('CH3O2 + MCH-C7H14 => CH3O + OH + MCHR2', [2.036000e+01, 3.58, 14166.35]) # Reaction 1711 reaction('CH3O2 + MCH-C7H14 => CH3O + OH + MCHR3', [2.036000e+01, 3.58, 14166.35]) # Reaction 1712 reaction('CH3O2 + MCH-C7H14 => CH3O + OH + MCHR4', [1.018000e+01, 3.58, 14166.35]) # Reaction 1713 reaction('CH3O2 + MCH-C7H14 => CH3O + OH + CYCHEXCH2', [6.930000e-01, 3.97, 18262.43]) # Reaction 1714 reaction('MCH-C7H14 + OH => MCHR4 + H2O', [9.709000e+04, 2.451, -1164.44]) # Reaction 1715 reaction('MCH-C7H14 + OH => MCHR3 + H2O', [1.941000e+05, 2.451, -1164.44]) # Reaction 1716 reaction('MCH-C7H14 + OH => MCHR2 + H2O', [1.941000e+05, 2.451, -1164.44]) # Reaction 1717 reaction('MCH-C7H14 + OH => MCHR1 + H2O', [5.122000e+05, 2.06, -1833.89]) # Reaction 1718 reaction('MCH-C7H14 + OH => CYCHEXCH2 + H2O', [2.004000e+07, 1.763, 31.79]) # Reaction 1719 reaction('MCH-C7H14 + H => MCHR3 + H2', [2.100000e+13, 0.0, 4977.77]) # Reaction 1720 reaction('MCH-C7H14 + H => MCHR2 + H2', [2.100000e+13, 0.0, 4977.77]) # Reaction 1721 reaction('MCH-C7H14 + H => MCHR4 + H2', [1.050000e+13, 0.0, 4977.77]) # Reaction 1722 reaction('MCH-C7H14 + H => MCHR1 + H2', [6.020000e+05, 2.4, 2582.93]) # Reaction 1723 reaction('MCH-C7H14 + H => CYCHEXCH2 + H2', [6.651000e+05, 2.54, 6755.98]) # Reaction 1724 reaction('C7ENEJ-ONE => CO + C3H6 + A-C3H5', [1.856000e+15, 0.0, 42649.14]) # Reaction 1725 reaction('C7ENEJ-ONE => C4H6 + CH3CHCHO', [5.510000e+14, 0.117, 40676.86]) # Reaction 1726 reaction('CCXCDCCCCO => X13-C6H10 + HCO', [6.007000e+18, -1.543, 34173.04]) # Reaction 1727 reaction('MCHYO25 + OH => C4H6 + CH3CHCHO + H2O', [2.500000e+12, 0.0, 0.0]) # Reaction 1728 reaction('MCHYO25 + OH => CCXCDCCCCO + H2O', [2.500000e+12, 0.0, 0.0]) # Reaction 1729 reaction('MCHYO25 + CH3 => CCXCDCCCCO + CH4', [5.000000e+12, 0.0, 6500.0]) # Reaction 1730 reaction('MCHYO25 + HO2 => C4H6 + CH3CHCHO + H2O2', [5.000000e+12, 0.0, 16700.05]) # Reaction 1731 reaction('MCHYO25 + OH => C5H81-3 + CH2CHO + H2O', [2.500000e+12, 0.0, 0.0]) # Reaction 1732 reaction('CCOCCCCCX => C3H6COCH3-1 + C2H4', [7.783000e+12, 0.377, 29454.59]) # Reaction 1733 reaction('CCOCCCCCX => MCH1OJ', [2.160000e+07, 0.86, 10099.9]) # Reaction 1734 reaction('MCH1OJ => CCOCCCCCX', [2.521000e+20, -1.368, 18262.67]) # Reaction 1735 reaction('CCXCCCCCO => C3H6CHO-1 + C3H6', [1.980000e+12, 0.599, 29040.87]) # Reaction 1736 reaction('CCXCCCCCO => MCH2OJ', [2.160000e+07, 0.86, 10099.9]) # Reaction 1737 reaction('MCH2OJ => CCXCCCCCO', [2.095000e+21, -1.579, 20914.03]) # Reaction 1738 reaction('CHXCH2OJ => CYCHEXRAD + CH2O', [6.610000e+20, -1.972, 20436.9]) # Reaction 1739 reaction('C7ENE-ONE + H => C7ENEJ-ONE + H2', [6.184000e+07, 1.665, -172.56]) # Reaction 1740 reaction('C7ENE-ONE + HO2 => C7ENEJ-ONE + H2O2', [2.057000e+02, 3.01, 9781.55]) # Reaction 1741 reaction('C7ENE-ONE + CH3 => C7ENEJ-ONE + CH4', [1.340000e+13, -0.0, 3299.95]) # Reaction 1742 reaction('C7ENE-ONE + OH => C7ENEJ-ONE + H2O', [2.707000e+06, 2.031, -1407.27]) # Reaction 1743 reaction('MCHYO24 => C6H11CHO1', [1.000000e+17, 0.0, 88000.0]) # Reaction 1744 reaction('C6H11CHO1 => MCHYO24', [3.578000e+12, -0.536, 105077.2]) # Reaction 1745 reaction('IC6H12CHO => C3H6CHO-1 + C3H6', [3.983000e+05, 2.265, 21318.12]) # Reaction 1746 reaction('IC6H12CHO => MCH4OJ', [1.124000e-06, 4.667, 4296.37]) # Reaction 1747 reaction('MCH4OJ => IC6H12CHO', [1.970000e+19, -1.156, 21116.87]) # Reaction 1748 reaction('IC6H12CHO => C4H8CHO-1 + C2H4', [1.685000e+08, 1.912, 27465.34]) # Reaction 1749 reaction('IC6H12CHO => MCH3OJ', [2.937000e+15, -1.602, 14099.43]) # Reaction 1750 reaction('MCH3OJ => IC6H12CHO', [3.940000e+19, -1.156, 21116.87]) # Reaction 1751 reaction('MCH1OJ => CH3 + CHXDO', [2.014000e+15, -0.227, 15854.92]) # Reaction 1752 reaction('MCH1OJ + O2 => MCHO + HO2', [3.000000e+13, 0.0, 4130.02]) # Reaction 1753 reaction('HO2 + MCHO => O2 + MCH1OJ', [1.947000e-02, 5.806, 2103.49]) # Reaction 1754 reaction('MCH2OJ + O2 => MCHO + HO2', [3.000000e+13, 0.0, 4130.02]) # Reaction 1755 reaction('HO2 + MCHO => O2 + MCH2OJ', [4.558000e-02, 5.746, 4487.05]) # Reaction 1756 reaction('MCH3OJ + O2 => MCHO + HO2', [3.000000e+13, 0.0, 4130.02]) # Reaction 1757 reaction('HO2 + MCHO => O2 + MCH3OJ', [4.558000e-02, 5.746, 4487.05]) # Reaction 1758 reaction('MCH4OJ + O2 => MCHO + HO2', [3.000000e+13, 0.0, 4130.02]) # Reaction 1759 reaction('HO2 + MCHO => O2 + MCH4OJ', [4.560000e-02, 5.746, 4487.09]) # Reaction 1760 reaction('MCHOOJ-T6 + O2 => HO2 + MCH2O4O', [3.592000e+15, -0.559, 6252.63]) # Reaction 1761 reaction('MCH2O4O + HO2 => O2 + MCHOOJ-T6', [4.751000e+10, 0.778, 38089.87]) # Reaction 1762 reaction('MCHOOJ-T6 => CH2CHO + CH3CHCO + C2H4', [2.632000e+31, -6.338, 20829.59]) # Reaction 1763 reaction('MCHOOJ-T6 + O2 => HO2 + MCH3O5O', [5.504000e+15, -1.51, -1116.63]) # Reaction 1764 reaction('MCH3O5O + HO2 => O2 + MCHOOJ-T6', [1.717000e+10, 0.815, 38227.29]) # Reaction 1765 reaction('MCHOOJ-T6 => C3H6 + CH2CO + CH2CHO', [5.064000e+14, -1.268, 16853.25]) # Reaction 1766 reaction('MCH2OXOJ => CHX1O2J + CH2O', [1.142000e+19, -1.673, 19771.99]) # Reaction 1767 reaction('CHXCH2OO + HO2 => CHXCH2OOH + O2', [1.750000e+11, 0.0, -1711.04]) # Reaction 1768 reaction('CHXCH2OO => CHXJ2CH2Q', [1.500000e+11, 0.0, 20849.9]) # Reaction 1769 reaction('CHXJ2CH2Q => CHXCH2OO', [1.160000e+11, -0.283, 8826.98]) # Reaction 1770 reaction('CHXCH2OO => CHXJ1CH2Q', [1.000000e+11, 0.0, 24099.9]) # Reaction 1771 reaction('CHXJ1CH2Q <=> MCHYO23 + OH', [1.350000e+13, 0.0, 13400.1]) # Reaction 1772 reaction('CHXJ2CH2Q => CHXYCO-2 + OH', [4.000000e+12, 0.0, 19500.0]) # Reaction 1773 reaction('OH + CHXYCO-2 => CHXJ2CH2Q', [5.299000e+04, 3.6, 10842.97]) # Reaction 1774 reaction('CHXJ2CH2Q + O2 => MCHXQ2QJ', [3.000000e+12, 0.0, 0.0]) # Reaction 1775 reaction('MCHXQ2QJ => O2 + CHXJ2CH2Q', [7.570000e+19, -1.437, 38491.4]) # Reaction 1776 reaction('MCH1OO + MCH-C7H14 => MCH1OOH + MCHR3', [1.930000e+04, 2.6, 14909.89]) # Reaction 1777 reaction('MCH1OO => MCHQ-T5S', [2.500000e+11, -0.0, 27500.0]) # Reaction 1778 reaction('MCH1OO => MCH1QX', [3.000000e+11, 0.0, 29400.1]) # Reaction 1779 reaction('MCH1OO + CH3O2 => MCH1OJ + CH3O + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1780 reaction('MCH1OO + MCH-C7H14 => MCH1OOH + MCHR2', [1.930000e+04, 2.6, 14909.89]) # Reaction 1781 reaction('MCH1OO => MCHQ-T7', [1.100000e+10, -0.0, 24400.1]) # Reaction 1782 reaction('MCH1OO + MCH-C7H14 => MCH1OOH + MCHR1', [3.610000e+03, 2.55, 11532.03]) # Reaction 1783 reaction('MCH1OO <=> MCH1QJ3', [1.900000e+11, 0.0, 24099.9]) # Reaction 1784 reaction('MCH1OO + HO2 => MCH1OOH + O2', [1.750000e+11, 0.0, -1711.04]) # Reaction 1785 reaction('MCH1OO + MCH-C7H14 => MCH1OOH + MCHR4', [9.640000e+03, 2.6, 14909.89]) # Reaction 1786 reaction('MCHQ-T5S => MCHYO23 + OH', [6.300000e+12, -0.0, 15900.1]) # Reaction 1787 reaction('OH + MCHYO23 => MCHQ-T5S', [1.825000e+02, 3.547, -966.06]) # Reaction 1788 reaction('MCH1QJ3 <=> MCHYO24 + OH', [4.000000e+12, 0.0, 19500.0]) # Reaction 1789 reaction('MCH1QJ3 => OH + C7ENE-ONE', [2.750000e+12, 0.624, 30779.16]) # Reaction 1790 reaction('MCHQ-T7 => MCHYO25 + OH', [1.970000e-11, 6.729, 2959.37]) # Reaction 1791 reaction('2 MCH2OO => 2 MCH2OJ + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1792 reaction('MCH2OO => MCHQ-T7', [1.100000e+10, -0.0, 24349.9]) # Reaction 1793 reaction('MCH2OO + MCH4OO => MCH2OJ + MCH4OJ + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1794 reaction('MCH2OO + CH3O2 => MCH2OJ + CH3O + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1795 reaction('MCH2OO + MCH-C7H14 => MCH2OOH + MCHR2', [1.930000e+04, 2.6, 14909.89]) # Reaction 1796 reaction('MCH2OO + HO2 => MCH2OOH + O2', [1.750000e+11, 0.0, -1711.04]) # Reaction 1797 reaction('MCH2OO + MCH-C7H14 => MCH2OOH + MCHR3', [1.930000e+04, 2.6, 14909.89]) # Reaction 1798 reaction('MCH2OO + MCH3OO => MCH2OJ + MCH3OJ + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1799 reaction('MCH2OO <=> MCH2QX', [1.100000e+11, 0.0, 24400.1]) # Reaction 1800 reaction('MCH2OO => MCHQ-T5S', [1.200000e+11, -0.0, 27500.0]) # Reaction 1801 reaction('MCH2OO => MCHQ-T6', [1.860000e+11, -0.0, 24099.9]) # Reaction 1802 reaction('MCHQ-T6 => MCH2OO', [3.037000e+05, 0.967, 7277.96]) # Reaction 1803 reaction('MCH2OO + MCH-C7H14 => MCH2OOH + MCHR1', [3.610000e+03, 2.55, 11532.03]) # Reaction 1804 reaction('MCH2OO + MCH1OO => MCH2OJ + MCH1OJ + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1805 reaction('MCH2OO + MCH-C7H14 => MCH2OOH + MCHR4', [9.640000e+03, 2.6, 14909.89]) # Reaction 1806 reaction('MCH2OO => MCH2QJ1', [6.200000e+10, 0.0, 24700.05]) # Reaction 1807 reaction('MCH2QJ1 + O2 => MCH2Q1QJ', [1.500000e+12, 0.0, 0.0]) # Reaction 1808 reaction('MCH2Q1QJ => O2 + MCH2QJ1', [6.890000e+20, -1.635, 38185.95]) # Reaction 1809 reaction('MCH2QJ1 <=> MCHYO23 + OH', [1.350000e+13, 0.0, 13400.1]) # Reaction 1810 reaction('MCH2QX + O2 => MCH2QXQJ', [2.000000e+12, 0.0, 0.0]) # Reaction 1811 reaction('MCH2QXQJ => O2 + MCH2QX', [2.612000e+17, -0.845, 36624.52]) # Reaction 1812 reaction('MCH2QX => CHXYCO-2 + OH', [9.100000e+12, 0.0, 21900.1]) # Reaction 1813 reaction('OH + CHXYCO-2 => MCH2QX', [6.235000e+02, 4.197, 11376.31]) # Reaction 1814 reaction('MCH2QX => MCHO + OH', [1.500000e+13, 0.0, 35000.0]) # Reaction 1815 reaction('MCH2QX => OH + C7ENE-ONE', [2.750000e+12, 0.624, 30779.16]) # Reaction 1816 reaction('MCH3OO + HO2 => MCH3OOH + O2', [1.750000e+11, 0.0, -1711.04]) # Reaction 1817 reaction('MCH3OO + MCH1OO => MCH3OJ + MCH1OJ + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1818 reaction('MCH3OO => MCHQ-T6', [3.238000e+10, 0.171, 22754.54]) # Reaction 1819 reaction('MCHQ-T6 => MCH3OO', [1.774000e+10, -0.238, 12502.63]) # Reaction 1820 reaction('MCH3OO + MCH-C7H14 => MCH3OOH + MCHR3', [1.930000e+04, 2.6, 14909.89]) # Reaction 1821 reaction('MCH3OO => MCHQ-T5S', [2.500000e+11, -0.0, 27500.0]) # Reaction 1822 reaction('MCH3OO + MCH-C7H14 => MCH3OOH + MCHR2', [1.930000e+04, 2.6, 14909.89]) # Reaction 1823 reaction('MCH3OO + MCH-C7H14 => MCH3OOH + MCHR1', [3.610000e+03, 2.55, 11532.03]) # Reaction 1824 reaction('MCH3OO => MCHQ-T7', [1.100000e+10, -0.0, 24349.9]) # Reaction 1825 reaction('MCH3OO + MCH-C7H14 => MCH3OOH + MCHR4', [9.640000e+03, 2.6, 14909.89]) # Reaction 1826 reaction('MCH3OO + CH3O2 => MCH3OJ + CH3O + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1827 reaction('MCH3OO + MCH4OO => MCH3OJ + MCH4OJ + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1828 reaction('2 MCH3OO => 2 MCH3OJ + O2', [1.400000e+16, -1.61, 1859.94]) # Reaction 1829 reaction('MCHQ-T6 + O2 => MCHQQJ-T6', [6.778000e+12, -0.166, -51.39]) # Reaction 1830 reaction('MCHQQJ-T6 => O2 + MCHQ-T6', [2.066000e+19, -1.206, 37411.33]) # Reaction 1831 reaction('MCHQ-T6 => OH + C7ENE-ONE', [2.750000e+12, 0.624, 30779.16]) # Reaction 1832 reaction('MCH1OO => MCHE + HO2', [5.000000e+12, 0.0, 31763.86]) # Reaction 1833 reaction('MCH2OO => MCHE + HO2', [5.000000e+12, 0.0, 31763.86]) # Reaction 1834 reaction('MCH3OO => MCHE + HO2', [5.000000e+12, 0.0, 31763.86]) # Reaction 1835 reaction('MCH4OO => MCHE + HO2', [5.000000e+12, 0.0, 31763.86]) # Reaction 1836 reaction('MCH1OO => CHXDCH2 + HO2', [2.500000e+12, 0.0, 31381.45]) # Reaction 1837 reaction('CHXCH2OO => CHXDCH2 + HO2', [2.500000e+12, 0.0, 30114.72]) # Reaction 1838 reaction('MCHQ-T6 => MCHYO24 + OH', [2.556000e+15, -0.7, 20998.8]) # Reaction 1839 reaction('OH + MCHYO24 => MCHQ-T6', [1.999000e-01, 4.516, 6030.59]) # Reaction 1840 reaction('MCH4OO + MCH-C7H14 => MCH4OOH + MCHR3', [1.930000e+04, 2.6, 14909.89]) # Reaction 1841 reaction('MCH4OO => MCHQ-T7', [5.400000e+09, -0.0, 22400.1]) # Reaction 1842 reaction('MCH4OO + MCH-C7H14 => MCH4OOH + MCHR1', [3.610000e+03, 2.55, 11532.03]) # Reaction 1843 reaction('MCH4OO + HO2 => MCH4OOH + O2', [1.750000e+11, 0.0, -1711.04]) # Reaction 1844 reaction('MCH4OO + MCH-C7H14 => MCH4OOH + MCHR2', [1.930000e+04, 2.6, 14909.89]) # Reaction 1845 reaction('MCH4OO => MCHQ-T6', [1.900000e+11, -0.0, 24099.9]) # Reaction 1846 reaction('MCHQ-T6 => MCH4OO', [2.766000e+01, 2.182, 5490.68]) # Reaction 1847 reaction('MCH4OO => MCHQ-T5S', [2.500000e+11, -0.0, 27500.0]) # Reaction 1848 reaction('MCH4OO + MCH-C7H14 => MCH4OOH + MCHR4', [9.640000e+03, 2.6, 14909.89]) # Reaction 1849 reaction('CHXCH2OOH => OH + CHXCH2OJ', [4.476000e+21, -1.984, 46299.95]) # Reaction 1850 reaction('MCH1OOH => OH + MCH1OJ', [5.113000e+21, -2.001, 46330.78]) # Reaction 1851 reaction('MCH2OOH => OH + MCH2OJ', [4.106000e+20, -1.614, 46788.24]) # Reaction 1852 reaction('MCH3OOH => OH + MCH3OJ', [4.560000e+21, -1.987, 46301.39]) # Reaction 1853 reaction('MCH4OOH => OH + MCH4OJ', [4.560000e+21, -1.987, 46301.39]) # Reaction 1854 reaction('CHXCHO2Q => OH + CHXCHO2OJ', [1.000000e+16, 0.0, 43977.06]) # Reaction 1855 reaction('MCH2O1Q => OH + MCH2O1OJ', [1.000000e+16, 0.0, 43977.06]) # Reaction 1856 reaction('MCH2OXQ => OH + MCH2OXOJ', [1.000000e+16, 0.0, 43977.06]) # Reaction 1857 reaction('MCHQO-T6 => OH + MCHOOJ-T6', [1.000000e+16, 0.0, 43977.06]) # Reaction 1858 reaction('MCH2Q1QJ => MCH2O1Q + OH', [6.200000e+10, 0.0, 24500.0]) # Reaction 1859 reaction('MCHQQJ-T6 => MCHQO-T6 + OH', [4.600000e+10, 0.0, 21099.9]) # Reaction 1860 reaction('MCH2QXQJ => MCH2OXQ + OH', [3.800000e+10, 0.0, 17849.9]) # Reaction 1861 reaction('MCHXQ2QJ => CHXCHO2Q + OH', [7.500000e+10, 0.0, 21400.1])