diff --git a/samples/cxx/flamespeed/gri30.cti b/samples/cxx/flamespeed/gri30.cti deleted file mode 100644 index 7520b6ffb..000000000 --- a/samples/cxx/flamespeed/gri30.cti +++ /dev/null @@ -1,2123 +0,0 @@ -# -# Generated from file gri30.inp -# by ck2cti on Mon Aug 25 09:52:57 2003 -# -# Transport data from file ../transport/gri30_tran.dat. - -units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol") - - -ideal_gas(name = "gri30", - elements = " O H C N Ar ", - species = """ H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO """, - reactions = "all", - kinetics = "GRI30", - initial_state = state(temperature = 300.0, - pressure = OneAtm) ) - -ideal_gas(name = "gri30_mix", - elements = " O H C N Ar ", - species = """ H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO """, - reactions = "all", - kinetics = "GRI30", - transport = "Mix", - initial_state = state(temperature = 300.0, - pressure = OneAtm) ) - - -ideal_gas(name = "gri30_multi", - elements = " O H C N Ar ", - species = """ H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO """, - reactions = "all", - kinetics = "GRI30", - transport = "Multi", - initial_state = state(temperature = 300.0, - pressure = OneAtm) ) - - - -#------------------------------------------------------------------------------- -# Species data -#------------------------------------------------------------------------------- - -species(name = "H2", - atoms = " H:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.344331120E+00, 7.980520750E-03, - -1.947815100E-05, 2.015720940E-08, -7.376117610E-12, - -9.179351730E+02, 6.830102380E-01] ), - NASA( [ 1000.00, 3500.00], [ 3.337279200E+00, -4.940247310E-05, - 4.994567780E-07, -1.795663940E-10, 2.002553760E-14, - -9.501589220E+02, -3.205023310E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 2.92, - well_depth = 38.00, - polar = 0.79, - rot_relax = 280.00), - note = "TPIS78" - ) - -species(name = "H", - atoms = " H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 7.053328190E-13, - -1.995919640E-15, 2.300816320E-18, -9.277323320E-22, - 2.547365990E+04, -4.466828530E-01] ), - NASA( [ 1000.00, 3500.00], [ 2.500000010E+00, -2.308429730E-11, - 1.615619480E-14, -4.735152350E-18, 4.981973570E-22, - 2.547365990E+04, -4.466829140E-01] ) - ), - transport = gas_transport( - geom = "atom", - diam = 2.05, - well_depth = 145.00), - note = "L 7/88" - ) - -species(name = "O", - atoms = " O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.168267100E+00, -3.279318840E-03, - 6.643063960E-06, -6.128066240E-09, 2.112659710E-12, - 2.912225920E+04, 2.051933460E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.569420780E+00, -8.597411370E-05, - 4.194845890E-08, -1.001777990E-11, 1.228336910E-15, - 2.921757910E+04, 4.784338640E+00] ) - ), - transport = gas_transport( - geom = "atom", - diam = 2.75, - well_depth = 80.00), - note = "L 1/90" - ) - -species(name = "O2", - atoms = " O:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.782456360E+00, -2.996734160E-03, - 9.847302010E-06, -9.681295090E-09, 3.243728370E-12, - -1.063943560E+03, 3.657675730E+00] ), - NASA( [ 1000.00, 3500.00], [ 3.282537840E+00, 1.483087540E-03, - -7.579666690E-07, 2.094705550E-10, -2.167177940E-14, - -1.088457720E+03, 5.453231290E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.46, - well_depth = 107.40, - polar = 1.60, - rot_relax = 3.80), - note = "TPIS89" - ) - -species(name = "OH", - atoms = " O:1 H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.992015430E+00, -2.401317520E-03, - 4.617938410E-06, -3.881133330E-09, 1.364114700E-12, - 3.615080560E+03, -1.039254580E-01] ), - NASA( [ 1000.00, 3500.00], [ 3.092887670E+00, 5.484297160E-04, - 1.265052280E-07, -8.794615560E-11, 1.174123760E-14, - 3.858657000E+03, 4.476696100E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 2.75, - well_depth = 80.00), - note = "RUS 78" - ) - -species(name = "H2O", - atoms = " H:2 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.198640560E+00, -2.036434100E-03, - 6.520402110E-06, -5.487970620E-09, 1.771978170E-12, - -3.029372670E+04, -8.490322080E-01] ), - NASA( [ 1000.00, 3500.00], [ 3.033992490E+00, 2.176918040E-03, - -1.640725180E-07, -9.704198700E-11, 1.682009920E-14, - -3.000429710E+04, 4.966770100E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 2.60, - well_depth = 572.40, - dipole = 1.84, - rot_relax = 4.00), - note = "L 8/89" - ) - -species(name = "HO2", - atoms = " H:1 O:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.301798010E+00, -4.749120510E-03, - 2.115828910E-05, -2.427638940E-08, 9.292251240E-12, - 2.948080400E+02, 3.716662450E+00] ), - NASA( [ 1000.00, 3500.00], [ 4.017210900E+00, 2.239820130E-03, - -6.336581500E-07, 1.142463700E-10, -1.079085350E-14, - 1.118567130E+02, 3.785102150E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.46, - well_depth = 107.40, - rot_relax = 1.00), - note = "L 5/89" - ) - -species(name = "H2O2", - atoms = " H:2 O:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.276112690E+00, -5.428224170E-04, - 1.673357010E-05, -2.157708130E-08, 8.624543630E-12, - -1.770258210E+04, 3.435050740E+00] ), - NASA( [ 1000.00, 3500.00], [ 4.165002850E+00, 4.908316940E-03, - -1.901392250E-06, 3.711859860E-10, -2.879083050E-14, - -1.786178770E+04, 2.916156620E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.46, - well_depth = 107.40, - rot_relax = 3.80), - note = "L 7/88" - ) - -species(name = "C", - atoms = " C:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.554239550E+00, -3.215377240E-04, - 7.337922450E-07, -7.322348890E-10, 2.665214460E-13, - 8.544388320E+04, 4.531308480E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.492668880E+00, 4.798892840E-05, - -7.243350200E-08, 3.742910290E-11, -4.872778930E-15, - 8.545129530E+04, 4.801503730E+00] ) - ), - transport = gas_transport( - geom = "atom", - diam = 3.30, - well_depth = 71.40), - note = "L11/88" - ) - -species(name = "CH", - atoms = " C:1 H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.489816650E+00, 3.238355410E-04, - -1.688990650E-06, 3.162173270E-09, -1.406090670E-12, - 7.079729340E+04, 2.084011080E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.878464730E+00, 9.709136810E-04, - 1.444456550E-07, -1.306878490E-10, 1.760793830E-14, - 7.101243640E+04, 5.484979990E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 2.75, - well_depth = 80.00), - note = "TPIS79" - ) - -species(name = "CH2", - atoms = " C:1 H:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.762678670E+00, 9.688721430E-04, - 2.794898410E-06, -3.850911530E-09, 1.687417190E-12, - 4.600404010E+04, 1.562531850E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.874101130E+00, 3.656392920E-03, - -1.408945970E-06, 2.601795490E-10, -1.877275670E-14, - 4.626360400E+04, 6.171193240E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.80, - well_depth = 144.00), - note = "L S/93" - ) - -species(name = "CH2(S)", - atoms = " C:1 H:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.198604110E+00, -2.366614190E-03, - 8.232962200E-06, -6.688159810E-09, 1.943147370E-12, - 5.049681630E+04, -7.691189670E-01] ), - NASA( [ 1000.00, 3500.00], [ 2.292038420E+00, 4.655886370E-03, - -2.011919470E-06, 4.179060000E-10, -3.397163650E-14, - 5.092599970E+04, 8.626501690E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.80, - well_depth = 144.00), - note = "L S/93" - ) - -species(name = "CH3", - atoms = " C:1 H:3 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.673590400E+00, 2.010951750E-03, - 5.730218560E-06, -6.871174250E-09, 2.543857340E-12, - 1.644499880E+04, 1.604564330E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.285717720E+00, 7.239900370E-03, - -2.987143480E-06, 5.956846440E-10, -4.671543940E-14, - 1.677558430E+04, 8.480071790E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.80, - well_depth = 144.00), - note = "L11/89" - ) - -species(name = "CH4", - atoms = " C:1 H:4 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 5.149876130E+00, -1.367097880E-02, - 4.918005990E-05, -4.847430260E-08, 1.666939560E-11, - -1.024664760E+04, -4.641303760E+00] ), - NASA( [ 1000.00, 3500.00], [ 7.485149500E-02, 1.339094670E-02, - -5.732858090E-06, 1.222925350E-09, -1.018152300E-13, - -9.468344590E+03, 1.843731800E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.75, - well_depth = 141.40, - polar = 2.60, - rot_relax = 13.00), - note = "L 8/88" - ) - -species(name = "CO", - atoms = " C:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.579533470E+00, -6.103536800E-04, - 1.016814330E-06, 9.070058840E-10, -9.044244990E-13, - -1.434408600E+04, 3.508409280E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.715185610E+00, 2.062527430E-03, - -9.988257710E-07, 2.300530080E-10, -2.036477160E-14, - -1.415187240E+04, 7.818687720E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.65, - well_depth = 98.10, - polar = 1.95, - rot_relax = 1.80), - note = "TPIS79" - ) - -species(name = "CO2", - atoms = " C:1 O:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.356773520E+00, 8.984596770E-03, - -7.123562690E-06, 2.459190220E-09, -1.436995480E-13, - -4.837196970E+04, 9.901052220E+00] ), - NASA( [ 1000.00, 3500.00], [ 3.857460290E+00, 4.414370260E-03, - -2.214814040E-06, 5.234901880E-10, -4.720841640E-14, - -4.875916600E+04, 2.271638060E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.76, - well_depth = 244.00, - polar = 2.65, - rot_relax = 2.10), - note = "L 7/88" - ) - -species(name = "HCO", - atoms = " H:1 C:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.221185840E+00, -3.243925320E-03, - 1.377994460E-05, -1.331440930E-08, 4.337688650E-12, - 3.839564960E+03, 3.394372430E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.772174380E+00, 4.956955260E-03, - -2.484456130E-06, 5.891617780E-10, -5.335087110E-14, - 4.011918150E+03, 9.798344920E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.59, - well_depth = 498.00), - note = "L12/89" - ) - -species(name = "CH2O", - atoms = " H:2 C:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.793723150E+00, -9.908333690E-03, - 3.732200080E-05, -3.792852610E-08, 1.317726520E-11, - -1.430895670E+04, 6.028129000E-01] ), - NASA( [ 1000.00, 3500.00], [ 1.760690080E+00, 9.200000820E-03, - -4.422588130E-06, 1.006412120E-09, -8.838556400E-14, - -1.399583230E+04, 1.365632300E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.59, - well_depth = 498.00, - rot_relax = 2.00), - note = "L 8/88" - ) - -species(name = "CH2OH", - atoms = " C:1 H:3 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.863889180E+00, 5.596723040E-03, - 5.932717910E-06, -1.045320120E-08, 4.369672780E-12, - -3.193913670E+03, 5.473022430E+00] ), - NASA( [ 1000.00, 3500.00], [ 3.692665690E+00, 8.645767970E-03, - -3.751011200E-06, 7.872346360E-10, -6.485542010E-14, - -3.242506270E+03, 5.810432150E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.69, - well_depth = 417.00, - dipole = 1.70, - rot_relax = 2.00), - note = "GUNL93" - ) - -species(name = "CH3O", - atoms = " C:1 H:3 O:1 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 2.106204000E+00, 7.216595000E-03, - 5.338472000E-06, -7.377636000E-09, 2.075610000E-12, - 9.786011000E+02, 1.315217700E+01] ), - NASA( [ 1000.00, 3000.00], [ 3.770799000E+00, 7.871497000E-03, - -2.656384000E-06, 3.944431000E-10, -2.112616000E-14, - 1.278325200E+02, 2.929575000E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.69, - well_depth = 417.00, - dipole = 1.70, - rot_relax = 2.00), - note = "121686" - ) - -species(name = "CH3OH", - atoms = " C:1 H:4 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 5.715395820E+00, -1.523091290E-02, - 6.524411550E-05, -7.108068890E-08, 2.613526980E-11, - -2.564276560E+04, -1.504098230E+00] ), - NASA( [ 1000.00, 3500.00], [ 1.789707910E+00, 1.409382920E-02, - -6.365008350E-06, 1.381710850E-09, -1.170602200E-13, - -2.537487470E+04, 1.450236230E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.63, - well_depth = 481.80, - rot_relax = 1.00), - note = "L 8/88" - ) - -species(name = "C2H", - atoms = " C:2 H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.889657330E+00, 1.340996110E-02, - -2.847695010E-05, 2.947910450E-08, -1.093315110E-11, - 6.683939320E+04, 6.222964380E+00] ), - NASA( [ 1000.00, 3500.00], [ 3.167806520E+00, 4.752219020E-03, - -1.837870770E-06, 3.041902520E-10, -1.772327700E-14, - 6.712106500E+04, 6.635894750E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 4.10, - well_depth = 209.00, - rot_relax = 2.50), - note = "L 1/91" - ) - -species(name = "C2H2", - atoms = " C:2 H:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 8.086810940E-01, 2.336156290E-02, - -3.551718150E-05, 2.801524370E-08, -8.500729740E-12, - 2.642898070E+04, 1.393970510E+01] ), - NASA( [ 1000.00, 3500.00], [ 4.147569640E+00, 5.961666640E-03, - -2.372948520E-06, 4.674121710E-10, -3.612352130E-14, - 2.593599920E+04, -1.230281210E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 4.10, - well_depth = 209.00, - rot_relax = 2.50), - note = "L 1/91" - ) - -species(name = "C2H3", - atoms = " C:2 H:3 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.212466450E+00, 1.514791620E-03, - 2.592094120E-05, -3.576578470E-08, 1.471508730E-11, - 3.485984680E+04, 8.510540250E+00] ), - NASA( [ 1000.00, 3500.00], [ 3.016724000E+00, 1.033022920E-02, - -4.680823490E-06, 1.017632880E-09, -8.626070410E-14, - 3.461287390E+04, 7.787323780E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 4.10, - well_depth = 209.00, - rot_relax = 1.00), - note = "L 2/92" - ) - -species(name = "C2H4", - atoms = " C:2 H:4 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.959201480E+00, -7.570522470E-03, - 5.709902920E-05, -6.915887530E-08, 2.698843730E-11, - 5.089775930E+03, 4.097330960E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.036111160E+00, 1.464541510E-02, - -6.710779150E-06, 1.472229230E-09, -1.257060610E-13, - 4.939886140E+03, 1.030536930E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.97, - well_depth = 280.80, - rot_relax = 1.50), - note = "L 1/91" - ) - -species(name = "C2H5", - atoms = " C:2 H:5 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.306465680E+00, -4.186588920E-03, - 4.971428070E-05, -5.991266060E-08, 2.305090040E-11, - 1.284162650E+04, 4.707209240E+00] ), - NASA( [ 1000.00, 3500.00], [ 1.954656420E+00, 1.739727220E-02, - -7.982066680E-06, 1.752176890E-09, -1.496415760E-13, - 1.285752000E+04, 1.346243430E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 4.30, - well_depth = 252.30, - rot_relax = 1.50), - note = "L12/92" - ) - -species(name = "C2H6", - atoms = " C:2 H:6 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.291424920E+00, -5.501542700E-03, - 5.994382880E-05, -7.084662850E-08, 2.686857710E-11, - -1.152220550E+04, 2.666823160E+00] ), - NASA( [ 1000.00, 3500.00], [ 1.071881500E+00, 2.168526770E-02, - -1.002560670E-05, 2.214120010E-09, -1.900028900E-13, - -1.142639320E+04, 1.511561070E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 4.30, - well_depth = 252.30, - rot_relax = 1.50), - note = "L 8/88" - ) - -species(name = "HCCO", - atoms = " H:1 C:2 O:1 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 2.251721400E+00, 1.765502100E-02, - -2.372910100E-05, 1.727575900E-08, -5.066481100E-12, - 2.005944900E+04, 1.249041700E+01] ), - NASA( [ 1000.00, 4000.00], [ 5.628205800E+00, 4.085340100E-03, - -1.593454700E-06, 2.862605200E-10, -1.940783200E-14, - 1.932721500E+04, -3.930259500E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 2.50, - well_depth = 150.00, - rot_relax = 1.00), - note = "SRIC91" - ) - -species(name = "CH2CO", - atoms = " C:2 H:2 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.135836300E+00, 1.811887210E-02, - -1.739474740E-05, 9.343975680E-09, -2.014576150E-12, - -7.042918040E+03, 1.221564800E+01] ), - NASA( [ 1000.00, 3500.00], [ 4.511297320E+00, 9.003597450E-03, - -4.169396350E-06, 9.233458820E-10, -7.948382010E-14, - -7.551053110E+03, 6.322472050E-01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.97, - well_depth = 436.00, - rot_relax = 2.00), - note = "L 5/90" - ) - -species(name = "HCCOH", - atoms = " C:2 O:1 H:2 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 1.242373300E+00, 3.107220100E-02, - -5.086686400E-05, 4.313713100E-08, -1.401459400E-11, - 8.031614300E+03, 1.387431900E+01] ), - NASA( [ 1000.00, 5000.00], [ 5.923829100E+00, 6.792360000E-03, - -2.565856400E-06, 4.498784100E-10, -2.994010100E-14, - 7.264626000E+03, -7.601774200E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.97, - well_depth = 436.00, - rot_relax = 2.00), - note = "SRI91" - ) - -species(name = "N", - atoms = " N:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, - 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 5.610463700E+04, 4.193908700E+00] ), - NASA( [ 1000.00, 6000.00], [ 2.415942900E+00, 1.748906500E-04, - -1.190236900E-07, 3.022624500E-11, -2.036098200E-15, - 5.613377300E+04, 4.649609600E+00] ) - ), - transport = gas_transport( - geom = "atom", - diam = 3.30, - well_depth = 71.40), - note = "L 6/88" - ) - -species(name = "NH", - atoms = " N:1 H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.492908500E+00, 3.117919800E-04, - -1.489048400E-06, 2.481644200E-09, -1.035696700E-12, - 4.188062900E+04, 1.848327800E+00] ), - NASA( [ 1000.00, 6000.00], [ 2.783692800E+00, 1.329843000E-03, - -4.247804700E-07, 7.834850100E-11, -5.504447000E-15, - 4.212084800E+04, 5.740779900E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 2.65, - well_depth = 80.00, - rot_relax = 4.00), - note = "And94" - ) - -species(name = "NH2", - atoms = " N:1 H:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.204002900E+00, -2.106138500E-03, - 7.106834800E-06, -5.611519700E-09, 1.644071700E-12, - 2.188591000E+04, -1.418424800E-01] ), - NASA( [ 1000.00, 6000.00], [ 2.834742100E+00, 3.207308200E-03, - -9.339080400E-07, 1.370295300E-10, -7.920614400E-15, - 2.217195700E+04, 6.520416300E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 2.65, - well_depth = 80.00, - polar = 2.26, - rot_relax = 4.00), - note = "And89" - ) - -species(name = "NH3", - atoms = " N:1 H:3 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.286027400E+00, -4.660523000E-03, - 2.171851300E-05, -2.280888700E-08, 8.263804600E-12, - -6.741728500E+03, -6.253727700E-01] ), - NASA( [ 1000.00, 6000.00], [ 2.634452100E+00, 5.666256000E-03, - -1.727867600E-06, 2.386716100E-10, -1.257878600E-14, - -6.544695800E+03, 6.566292800E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 2.92, - well_depth = 481.00, - dipole = 1.47, - rot_relax = 10.00), - note = "J 6/77" - ) - -species(name = "NNH", - atoms = " N:2 H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.344692700E+00, -4.849707200E-03, - 2.005945900E-05, -2.172646400E-08, 7.946953900E-12, - 2.879197300E+04, 2.977941000E+00] ), - NASA( [ 1000.00, 6000.00], [ 3.766754400E+00, 2.891508200E-03, - -1.041662000E-06, 1.684259400E-10, -1.009189600E-14, - 2.865069700E+04, 4.470506700E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.80, - well_depth = 71.40, - rot_relax = 1.00), - note = "T07/93" - ) - -species(name = "NO", - atoms = " N:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.218476300E+00, -4.638976000E-03, - 1.104102200E-05, -9.336135400E-09, 2.803577000E-12, - 9.844623000E+03, 2.280846400E+00] ), - NASA( [ 1000.00, 6000.00], [ 3.260605600E+00, 1.191104300E-03, - -4.291704800E-07, 6.945766900E-11, -4.033609900E-15, - 9.920974600E+03, 6.369302700E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.62, - well_depth = 97.53, - polar = 1.76, - rot_relax = 4.00), - note = "RUS 78" - ) - -species(name = "NO2", - atoms = " N:1 O:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.944031200E+00, -1.585429000E-03, - 1.665781200E-05, -2.047542600E-08, 7.835056400E-12, - 2.896617900E+03, 6.311991700E+00] ), - NASA( [ 1000.00, 6000.00], [ 4.884754200E+00, 2.172395600E-03, - -8.280690600E-07, 1.574751000E-10, -1.051089500E-14, - 2.316498300E+03, -1.174169500E-01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.50, - well_depth = 200.00, - rot_relax = 1.00), - note = "L 7/88" - ) - -species(name = "N2O", - atoms = " N:2 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.257150200E+00, 1.130472800E-02, - -1.367131900E-05, 9.681980600E-09, -2.930718200E-12, - 8.741774400E+03, 1.075799200E+01] ), - NASA( [ 1000.00, 6000.00], [ 4.823072900E+00, 2.627025100E-03, - -9.585087400E-07, 1.600071200E-10, -9.775230300E-15, - 8.073404800E+03, -2.201720700E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.83, - well_depth = 232.40, - rot_relax = 1.00), - note = "L 7/88" - ) - -species(name = "HNO", - atoms = " H:1 N:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.533491600E+00, -5.669617100E-03, - 1.847320700E-05, -1.713709400E-08, 5.545457300E-12, - 1.154829700E+04, 1.749841700E+00] ), - NASA( [ 1000.00, 6000.00], [ 2.979250900E+00, 3.494405900E-03, - -7.854977800E-07, 5.747959400E-11, -1.933591600E-16, - 1.175058200E+04, 8.606372800E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.49, - well_depth = 116.70, - rot_relax = 1.00), - note = "And93" - ) - -species(name = "CN", - atoms = " C:1 N:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.612935100E+00, -9.555132700E-04, - 2.144297700E-06, -3.151632300E-10, -4.643035600E-13, - 5.170834000E+04, 3.980499500E+00] ), - NASA( [ 1000.00, 6000.00], [ 3.745980500E+00, 4.345077500E-05, - 2.970598400E-07, -6.865180600E-11, 4.413417300E-15, - 5.153618800E+04, 2.786760100E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.86, - well_depth = 75.00, - rot_relax = 1.00), - note = "HBH92" - ) - -species(name = "HCN", - atoms = " H:1 C:1 N:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.258988600E+00, 1.005117000E-02, - -1.335176300E-05, 1.009234900E-08, -3.008902800E-12, - 1.471263300E+04, 8.916441900E+00] ), - NASA( [ 1000.00, 6000.00], [ 3.802239200E+00, 3.146422800E-03, - -1.063218500E-06, 1.661975700E-10, -9.799757000E-15, - 1.440729200E+04, 1.575460100E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.63, - well_depth = 569.00, - rot_relax = 1.00), - note = "GRI/98" - ) - -species(name = "H2CN", - atoms = " H:2 C:1 N:1 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 2.851661000E+00, 5.695233100E-03, - 1.071140000E-06, -1.622612000E-09, -2.351108100E-13, - 2.863782000E+04, 8.992751100E+00] ), - NASA( [ 1000.00, 4000.00], [ 5.209703000E+00, 2.969291100E-03, - -2.855589100E-07, -1.635550000E-10, 3.043258900E-14, - 2.767710900E+04, -4.444478000E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.63, - well_depth = 569.00, - rot_relax = 1.00), - note = "41687" - ) - -species(name = "HCNN", - atoms = " C:1 N:2 H:1 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 2.524319400E+00, 1.596061900E-02, - -1.881635400E-05, 1.212554000E-08, -3.235737800E-12, - 5.426198400E+04, 1.167587000E+01] ), - NASA( [ 1000.00, 5000.00], [ 5.894636200E+00, 3.989595900E-03, - -1.598238000E-06, 2.924939500E-10, -2.009468600E-14, - 5.345294100E+04, -5.103050200E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 2.50, - well_depth = 150.00, - rot_relax = 1.00), - note = "SRI/94" - ) - -species(name = "HCNO", - atoms = " H:1 N:1 C:1 O:1 ", - thermo = ( - NASA( [ 300.00, 1382.00], [ 2.647279890E+00, 1.275053420E-02, - -1.047942360E-05, 4.414328360E-09, -7.575214660E-13, - 1.929902520E+04, 1.073329720E+01] ), - NASA( [ 1382.00, 5000.00], [ 6.598604560E+00, 3.027786260E-03, - -1.077043460E-06, 1.716665280E-10, -1.014393910E-14, - 1.796613390E+04, -1.033065990E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.83, - well_depth = 232.40, - rot_relax = 1.00), - note = "BDEA94" - ) - -species(name = "HOCN", - atoms = " H:1 N:1 C:1 O:1 ", - thermo = ( - NASA( [ 300.00, 1368.00], [ 3.786049520E+00, 6.886679220E-03, - -3.214878640E-06, 5.171957670E-10, 1.193607880E-14, - -2.826984000E+03, 5.632921620E+00] ), - NASA( [ 1368.00, 5000.00], [ 5.897848850E+00, 3.167893930E-03, - -1.118010640E-06, 1.772431440E-10, -1.043391770E-14, - -3.706533310E+03, -6.181678250E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.83, - well_depth = 232.40, - rot_relax = 1.00), - note = "BDEA94" - ) - -species(name = "HNCO", - atoms = " H:1 N:1 C:1 O:1 ", - thermo = ( - NASA( [ 300.00, 1478.00], [ 3.630963170E+00, 7.302823570E-03, - -2.280500030E-06, -6.612712980E-10, 3.622357520E-13, - -1.558736360E+04, 6.194577270E+00] ), - NASA( [ 1478.00, 5000.00], [ 6.223951340E+00, 3.178640040E-03, - -1.093787550E-06, 1.707351630E-10, -9.950219550E-15, - -1.665993440E+04, -8.382247410E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.83, - well_depth = 232.40, - rot_relax = 1.00), - note = "BDEA94" - ) - -species(name = "NCO", - atoms = " N:1 C:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.826930800E+00, 8.805168800E-03, - -8.386613400E-06, 4.801696400E-09, -1.331359500E-12, - 1.468247700E+04, 9.550464600E+00] ), - NASA( [ 1000.00, 6000.00], [ 5.152184500E+00, 2.305176100E-03, - -8.803315300E-07, 1.478909800E-10, -9.097799600E-15, - 1.400412300E+04, -2.544266000E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.83, - well_depth = 232.40, - rot_relax = 1.00), - note = "EA 93" - ) - -species(name = "N2", - atoms = " N:2 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 3.298677000E+00, 1.408240400E-03, - -3.963222000E-06, 5.641515000E-09, -2.444854000E-12, - -1.020899900E+03, 3.950372000E+00] ), - NASA( [ 1000.00, 5000.00], [ 2.926640000E+00, 1.487976800E-03, - -5.684760000E-07, 1.009703800E-10, -6.753351000E-15, - -9.227977000E+02, 5.980528000E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.62, - well_depth = 97.53, - polar = 1.76, - rot_relax = 4.00), - note = "121286" - ) - -species(name = "AR", - atoms = " Ar:1 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, - 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - -7.453750000E+02, 4.366000000E+00] ), - NASA( [ 1000.00, 5000.00], [ 2.500000000E+00, 0.000000000E+00, - 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - -7.453750000E+02, 4.366000000E+00] ) - ), - transport = gas_transport( - geom = "atom", - diam = 3.33, - well_depth = 136.50), - note = "120186" - ) - -species(name = "C3H7", - atoms = " C:3 H:7 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 1.051551800E+00, 2.599198000E-02, - 2.380054000E-06, -1.960956900E-08, 9.373247000E-12, - 1.063186300E+04, 2.112255900E+01] ), - NASA( [ 1000.00, 5000.00], [ 7.702698700E+00, 1.604420300E-02, - -5.283322000E-06, 7.629859000E-10, -3.939228400E-14, - 8.298433600E+03, -1.548018000E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 4.98, - well_depth = 266.80, - rot_relax = 1.00), - note = "L 9/84" - ) - -species(name = "C3H8", - atoms = " C:3 H:8 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 9.335538100E-01, 2.642457900E-02, - 6.105972700E-06, -2.197749900E-08, 9.514925300E-12, - -1.395852000E+04, 1.920169100E+01] ), - NASA( [ 1000.00, 5000.00], [ 7.534136800E+00, 1.887223900E-02, - -6.271849100E-06, 9.147564900E-10, -4.783806900E-14, - -1.646751600E+04, -1.789234900E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 4.98, - well_depth = 266.80, - rot_relax = 1.00), - note = "L 4/85" - ) - -species(name = "CH2CHO", - atoms = " O:1 H:3 C:2 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 3.409062000E+00, 1.073857400E-02, - 1.891492000E-06, -7.158583000E-09, 2.867385000E-12, - 1.521476600E+03, 9.558290000E+00] ), - NASA( [ 1000.00, 5000.00], [ 5.975670000E+00, 8.130591000E-03, - -2.743624000E-06, 4.070304000E-10, -2.176017000E-14, - 4.903218000E+02, -5.045251000E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.97, - well_depth = 436.00, - rot_relax = 2.00), - note = "SAND86" - ) - -species(name = "CH3CHO", - atoms = " C:2 H:4 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.729459500E+00, -3.193285800E-03, - 4.753492100E-05, -5.745861100E-08, 2.193111200E-11, - -2.157287800E+04, 4.103015900E+00] ), - NASA( [ 1000.00, 6000.00], [ 5.404110800E+00, 1.172305900E-02, - -4.226313700E-06, 6.837245100E-10, -4.098486300E-14, - -2.259312200E+04, -3.480791700E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.97, - well_depth = 436.00, - rot_relax = 2.00), - note = "L 8/88" - ) - - - -#------------------------------------------------------------------------------- -# Reaction data -#------------------------------------------------------------------------------- - -# Reaction 1 -three_body_reaction( "2 O + M <=> O2 + M", [1.20000E+17, -1, 0], - efficiencies = " AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 ") - -# Reaction 2 -three_body_reaction( "O + H + M <=> OH + M", [5.00000E+17, -1, 0], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 3 -reaction( "O + H2 <=> H + OH", [3.87000E+04, 2.7, 6260]) - -# Reaction 4 -reaction( "O + HO2 <=> OH + O2", [2.00000E+13, 0, 0]) - -# Reaction 5 -reaction( "O + H2O2 <=> OH + HO2", [9.63000E+06, 2, 4000]) - -# Reaction 6 -reaction( "O + CH <=> H + CO", [5.70000E+13, 0, 0]) - -# Reaction 7 -reaction( "O + CH2 <=> H + HCO", [8.00000E+13, 0, 0]) - -# Reaction 8 -reaction( "O + CH2(S) <=> H2 + CO", [1.50000E+13, 0, 0]) - -# Reaction 9 -reaction( "O + CH2(S) <=> H + HCO", [1.50000E+13, 0, 0]) - -# Reaction 10 -reaction( "O + CH3 <=> H + CH2O", [5.06000E+13, 0, 0]) - -# Reaction 11 -reaction( "O + CH4 <=> OH + CH3", [1.02000E+09, 1.5, 8600]) - -# Reaction 12 -falloff_reaction( "O + CO (+ M) <=> CO2 (+ M)", - kf = [1.80000E+10, 0, 2385], - kf0 = [6.02000E+14, 0, 3000], - efficiencies = " AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 ") - -# Reaction 13 -reaction( "O + HCO <=> OH + CO", [3.00000E+13, 0, 0]) - -# Reaction 14 -reaction( "O + HCO <=> H + CO2", [3.00000E+13, 0, 0]) - -# Reaction 15 -reaction( "O + CH2O <=> OH + HCO", [3.90000E+13, 0, 3540]) - -# Reaction 16 -reaction( "O + CH2OH <=> OH + CH2O", [1.00000E+13, 0, 0]) - -# Reaction 17 -reaction( "O + CH3O <=> OH + CH2O", [1.00000E+13, 0, 0]) - -# Reaction 18 -reaction( "O + CH3OH <=> OH + CH2OH", [3.88000E+05, 2.5, 3100]) - -# Reaction 19 -reaction( "O + CH3OH <=> OH + CH3O", [1.30000E+05, 2.5, 5000]) - -# Reaction 20 -reaction( "O + C2H <=> CH + CO", [5.00000E+13, 0, 0]) - -# Reaction 21 -reaction( "O + C2H2 <=> H + HCCO", [1.35000E+07, 2, 1900]) - -# Reaction 22 -reaction( "O + C2H2 <=> OH + C2H", [4.60000E+19, -1.41, 28950]) - -# Reaction 23 -reaction( "O + C2H2 <=> CO + CH2", [6.94000E+06, 2, 1900]) - -# Reaction 24 -reaction( "O + C2H3 <=> H + CH2CO", [3.00000E+13, 0, 0]) - -# Reaction 25 -reaction( "O + C2H4 <=> CH3 + HCO", [1.25000E+07, 1.83, 220]) - -# Reaction 26 -reaction( "O + C2H5 <=> CH3 + CH2O", [2.24000E+13, 0, 0]) - -# Reaction 27 -reaction( "O + C2H6 <=> OH + C2H5", [8.98000E+07, 1.92, 5690]) - -# Reaction 28 -reaction( "O + HCCO <=> H + 2 CO", [1.00000E+14, 0, 0]) - -# Reaction 29 -reaction( "O + CH2CO <=> OH + HCCO", [1.00000E+13, 0, 8000]) - -# Reaction 30 -reaction( "O + CH2CO <=> CH2 + CO2", [1.75000E+12, 0, 1350]) - -# Reaction 31 -reaction( "O2 + CO <=> O + CO2", [2.50000E+12, 0, 47800]) - -# Reaction 32 -reaction( "O2 + CH2O <=> HO2 + HCO", [1.00000E+14, 0, 40000]) - -# Reaction 33 -three_body_reaction( "H + O2 + M <=> HO2 + M", [2.80000E+18, -0.86, 0], - efficiencies = " AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 ") - -# Reaction 34 -reaction( "H + 2 O2 <=> HO2 + O2", [2.08000E+19, -1.24, 0]) - -# Reaction 35 -reaction( "H + O2 + H2O <=> HO2 + H2O", [1.12600E+19, -0.76, 0]) - -# Reaction 36 -reaction( "H + O2 + N2 <=> HO2 + N2", [2.60000E+19, -1.24, 0]) - -# Reaction 37 -reaction( "H + O2 + AR <=> HO2 + AR", [7.00000E+17, -0.8, 0]) - -# Reaction 38 -reaction( "H + O2 <=> O + OH", [2.65000E+16, -0.6707, 17041]) - -# Reaction 39 -three_body_reaction( "2 H + M <=> H2 + M", [1.00000E+18, -1, 0], - efficiencies = " AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 ") - -# Reaction 40 -reaction( "2 H + H2 <=> 2 H2", [9.00000E+16, -0.6, 0]) - -# Reaction 41 -reaction( "2 H + H2O <=> H2 + H2O", [6.00000E+19, -1.25, 0]) - -# Reaction 42 -reaction( "2 H + CO2 <=> H2 + CO2", [5.50000E+20, -2, 0]) - -# Reaction 43 -three_body_reaction( "H + OH + M <=> H2O + M", [2.20000E+22, -2, 0], - efficiencies = " AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 ") - -# Reaction 44 -reaction( "H + HO2 <=> O + H2O", [3.97000E+12, 0, 671]) - -# Reaction 45 -reaction( "H + HO2 <=> O2 + H2", [4.48000E+13, 0, 1068]) - -# Reaction 46 -reaction( "H + HO2 <=> 2 OH", [8.40000E+13, 0, 635]) - -# Reaction 47 -reaction( "H + H2O2 <=> HO2 + H2", [1.21000E+07, 2, 5200]) - -# Reaction 48 -reaction( "H + H2O2 <=> OH + H2O", [1.00000E+13, 0, 3600]) - -# Reaction 49 -reaction( "H + CH <=> C + H2", [1.65000E+14, 0, 0]) - -# Reaction 50 -falloff_reaction( "H + CH2 (+ M) <=> CH3 (+ M)", - kf = [6.00000E+14, 0, 0], - kf0 = [1.04000E+26, -2.76, 1600], - falloff = Troe(A = 0.562, T3 = 91, T1 = 5836, T2 = 8552), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 51 -reaction( "H + CH2(S) <=> CH + H2", [3.00000E+13, 0, 0]) - -# Reaction 52 -falloff_reaction( "H + CH3 (+ M) <=> CH4 (+ M)", - kf = [1.39000E+16, -0.534, 536], - kf0 = [2.62000E+33, -4.76, 2440], - falloff = Troe(A = 0.783, T3 = 74, T1 = 2941, T2 = 6964), - efficiencies = " AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 53 -reaction( "H + CH4 <=> CH3 + H2", [6.60000E+08, 1.62, 10840]) - -# Reaction 54 -falloff_reaction( "H + HCO (+ M) <=> CH2O (+ M)", - kf = [1.09000E+12, 0.48, -260], - kf0 = [2.47000E+24, -2.57, 425], - falloff = Troe(A = 0.7824, T3 = 271, T1 = 2755, T2 = 6570), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 55 -reaction( "H + HCO <=> H2 + CO", [7.34000E+13, 0, 0]) - -# Reaction 56 -falloff_reaction( "H + CH2O (+ M) <=> CH2OH (+ M)", - kf = [5.40000E+11, 0.454, 3600], - kf0 = [1.27000E+32, -4.82, 6530], - falloff = Troe(A = 0.7187, T3 = 103, T1 = 1291, T2 = 4160), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 57 -falloff_reaction( "H + CH2O (+ M) <=> CH3O (+ M)", - kf = [5.40000E+11, 0.454, 2600], - kf0 = [2.20000E+30, -4.8, 5560], - falloff = Troe(A = 0.758, T3 = 94, T1 = 1555, T2 = 4200), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 58 -reaction( "H + CH2O <=> HCO + H2", [5.74000E+07, 1.9, 2742]) - -# Reaction 59 -falloff_reaction( "H + CH2OH (+ M) <=> CH3OH (+ M)", - kf = [1.05500E+12, 0.5, 86], - kf0 = [4.36000E+31, -4.65, 5080], - falloff = Troe(A = 0.6, T3 = 100, T1 = 90000, T2 = 10000), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 60 -reaction( "H + CH2OH <=> H2 + CH2O", [2.00000E+13, 0, 0]) - -# Reaction 61 -reaction( "H + CH2OH <=> OH + CH3", [1.65000E+11, 0.65, -284]) - -# Reaction 62 -reaction( "H + CH2OH <=> CH2(S) + H2O", [3.28000E+13, -0.09, 610]) - -# Reaction 63 -falloff_reaction( "H + CH3O (+ M) <=> CH3OH (+ M)", - kf = [2.43000E+12, 0.515, 50], - kf0 = [4.66000E+41, -7.44, 14080], - falloff = Troe(A = 0.7, T3 = 100, T1 = 90000, T2 = 10000), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 64 -reaction( "H + CH3O <=> H + CH2OH", [4.15000E+07, 1.63, 1924]) - -# Reaction 65 -reaction( "H + CH3O <=> H2 + CH2O", [2.00000E+13, 0, 0]) - -# Reaction 66 -reaction( "H + CH3O <=> OH + CH3", [1.50000E+12, 0.5, -110]) - -# Reaction 67 -reaction( "H + CH3O <=> CH2(S) + H2O", [2.62000E+14, -0.23, 1070]) - -# Reaction 68 -reaction( "H + CH3OH <=> CH2OH + H2", [1.70000E+07, 2.1, 4870]) - -# Reaction 69 -reaction( "H + CH3OH <=> CH3O + H2", [4.20000E+06, 2.1, 4870]) - -# Reaction 70 -falloff_reaction( "H + C2H (+ M) <=> C2H2 (+ M)", - kf = [1.00000E+17, -1, 0], - kf0 = [3.75000E+33, -4.8, 1900], - falloff = Troe(A = 0.6464, T3 = 132, T1 = 1315, T2 = 5566), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 71 -falloff_reaction( "H + C2H2 (+ M) <=> C2H3 (+ M)", - kf = [5.60000E+12, 0, 2400], - kf0 = [3.80000E+40, -7.27, 7220], - falloff = Troe(A = 0.7507, T3 = 98.5, T1 = 1302, T2 = 4167), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 72 -falloff_reaction( "H + C2H3 (+ M) <=> C2H4 (+ M)", - kf = [6.08000E+12, 0.27, 280], - kf0 = [1.40000E+30, -3.86, 3320], - falloff = Troe(A = 0.782, T3 = 207.5, T1 = 2663, T2 = 6095), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 73 -reaction( "H + C2H3 <=> H2 + C2H2", [3.00000E+13, 0, 0]) - -# Reaction 74 -falloff_reaction( "H + C2H4 (+ M) <=> C2H5 (+ M)", - kf = [5.40000E+11, 0.454, 1820], - kf0 = [6.00000E+41, -7.62, 6970], - falloff = Troe(A = 0.9753, T3 = 210, T1 = 984, T2 = 4374), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 75 -reaction( "H + C2H4 <=> C2H3 + H2", [1.32500E+06, 2.53, 12240]) - -# Reaction 76 -falloff_reaction( "H + C2H5 (+ M) <=> C2H6 (+ M)", - kf = [5.21000E+17, -0.99, 1580], - kf0 = [1.99000E+41, -7.08, 6685], - falloff = Troe(A = 0.8422, T3 = 125, T1 = 2219, T2 = 6882), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 77 -reaction( "H + C2H5 <=> H2 + C2H4", [2.00000E+12, 0, 0]) - -# Reaction 78 -reaction( "H + C2H6 <=> C2H5 + H2", [1.15000E+08, 1.9, 7530]) - -# Reaction 79 -reaction( "H + HCCO <=> CH2(S) + CO", [1.00000E+14, 0, 0]) - -# Reaction 80 -reaction( "H + CH2CO <=> HCCO + H2", [5.00000E+13, 0, 8000]) - -# Reaction 81 -reaction( "H + CH2CO <=> CH3 + CO", [1.13000E+13, 0, 3428]) - -# Reaction 82 -reaction( "H + HCCOH <=> H + CH2CO", [1.00000E+13, 0, 0]) - -# Reaction 83 -falloff_reaction( "H2 + CO (+ M) <=> CH2O (+ M)", - kf = [4.30000E+07, 1.5, 79600], - kf0 = [5.07000E+27, -3.42, 84350], - falloff = Troe(A = 0.932, T3 = 197, T1 = 1540, T2 = 10300), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 84 -reaction( "OH + H2 <=> H + H2O", [2.16000E+08, 1.51, 3430]) - -# Reaction 85 -falloff_reaction( "2 OH (+ M) <=> H2O2 (+ M)", - kf = [7.40000E+13, -0.37, 0], - kf0 = [2.30000E+18, -0.9, -1700], - falloff = Troe(A = 0.7346, T3 = 94, T1 = 1756, T2 = 5182), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 86 -reaction( "2 OH <=> O + H2O", [3.57000E+04, 2.4, -2110]) - -# Reaction 87 -reaction( "OH + HO2 <=> O2 + H2O", [1.45000E+13, 0, -500], - options = 'duplicate') - -# Reaction 88 -reaction( "OH + H2O2 <=> HO2 + H2O", [2.00000E+12, 0, 427], - options = 'duplicate') - -# Reaction 89 -reaction( "OH + H2O2 <=> HO2 + H2O", [1.70000E+18, 0, 29410], - options = 'duplicate') - -# Reaction 90 -reaction( "OH + C <=> H + CO", [5.00000E+13, 0, 0]) - -# Reaction 91 -reaction( "OH + CH <=> H + HCO", [3.00000E+13, 0, 0]) - -# Reaction 92 -reaction( "OH + CH2 <=> H + CH2O", [2.00000E+13, 0, 0]) - -# Reaction 93 -reaction( "OH + CH2 <=> CH + H2O", [1.13000E+07, 2, 3000]) - -# Reaction 94 -reaction( "OH + CH2(S) <=> H + CH2O", [3.00000E+13, 0, 0]) - -# Reaction 95 -falloff_reaction( "OH + CH3 (+ M) <=> CH3OH (+ M)", - kf = [2.79000E+18, -1.43, 1330], - kf0 = [4.00000E+36, -5.92, 3140], - falloff = Troe(A = 0.412, T3 = 195, T1 = 5900, T2 = 6394), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 96 -reaction( "OH + CH3 <=> CH2 + H2O", [5.60000E+07, 1.6, 5420]) - -# Reaction 97 -reaction( "OH + CH3 <=> CH2(S) + H2O", [6.44000E+17, -1.34, 1417]) - -# Reaction 98 -reaction( "OH + CH4 <=> CH3 + H2O", [1.00000E+08, 1.6, 3120]) - -# Reaction 99 -reaction( "OH + CO <=> H + CO2", [4.76000E+07, 1.228, 70]) - -# Reaction 100 -reaction( "OH + HCO <=> H2O + CO", [5.00000E+13, 0, 0]) - -# Reaction 101 -reaction( "OH + CH2O <=> HCO + H2O", [3.43000E+09, 1.18, -447]) - -# Reaction 102 -reaction( "OH + CH2OH <=> H2O + CH2O", [5.00000E+12, 0, 0]) - -# Reaction 103 -reaction( "OH + CH3O <=> H2O + CH2O", [5.00000E+12, 0, 0]) - -# Reaction 104 -reaction( "OH + CH3OH <=> CH2OH + H2O", [1.44000E+06, 2, -840]) - -# Reaction 105 -reaction( "OH + CH3OH <=> CH3O + H2O", [6.30000E+06, 2, 1500]) - -# Reaction 106 -reaction( "OH + C2H <=> H + HCCO", [2.00000E+13, 0, 0]) - -# Reaction 107 -reaction( "OH + C2H2 <=> H + CH2CO", [2.18000E-04, 4.5, -1000]) - -# Reaction 108 -reaction( "OH + C2H2 <=> H + HCCOH", [5.04000E+05, 2.3, 13500]) - -# Reaction 109 -reaction( "OH + C2H2 <=> C2H + H2O", [3.37000E+07, 2, 14000]) - -# Reaction 110 -reaction( "OH + C2H2 <=> CH3 + CO", [4.83000E-04, 4, -2000]) - -# Reaction 111 -reaction( "OH + C2H3 <=> H2O + C2H2", [5.00000E+12, 0, 0]) - -# Reaction 112 -reaction( "OH + C2H4 <=> C2H3 + H2O", [3.60000E+06, 2, 2500]) - -# Reaction 113 -reaction( "OH + C2H6 <=> C2H5 + H2O", [3.54000E+06, 2.12, 870]) - -# Reaction 114 -reaction( "OH + CH2CO <=> HCCO + H2O", [7.50000E+12, 0, 2000]) - -# Reaction 115 -reaction( "2 HO2 <=> O2 + H2O2", [1.30000E+11, 0, -1630], - options = 'duplicate') - -# Reaction 116 -reaction( "2 HO2 <=> O2 + H2O2", [4.20000E+14, 0, 12000], - options = 'duplicate') - -# Reaction 117 -reaction( "HO2 + CH2 <=> OH + CH2O", [2.00000E+13, 0, 0]) - -# Reaction 118 -reaction( "HO2 + CH3 <=> O2 + CH4", [1.00000E+12, 0, 0]) - -# Reaction 119 -reaction( "HO2 + CH3 <=> OH + CH3O", [3.78000E+13, 0, 0]) - -# Reaction 120 -reaction( "HO2 + CO <=> OH + CO2", [1.50000E+14, 0, 23600]) - -# Reaction 121 -reaction( "HO2 + CH2O <=> HCO + H2O2", [5.60000E+06, 2, 12000]) - -# Reaction 122 -reaction( "C + O2 <=> O + CO", [5.80000E+13, 0, 576]) - -# Reaction 123 -reaction( "C + CH2 <=> H + C2H", [5.00000E+13, 0, 0]) - -# Reaction 124 -reaction( "C + CH3 <=> H + C2H2", [5.00000E+13, 0, 0]) - -# Reaction 125 -reaction( "CH + O2 <=> O + HCO", [6.71000E+13, 0, 0]) - -# Reaction 126 -reaction( "CH + H2 <=> H + CH2", [1.08000E+14, 0, 3110]) - -# Reaction 127 -reaction( "CH + H2O <=> H + CH2O", [5.71000E+12, 0, -755]) - -# Reaction 128 -reaction( "CH + CH2 <=> H + C2H2", [4.00000E+13, 0, 0]) - -# Reaction 129 -reaction( "CH + CH3 <=> H + C2H3", [3.00000E+13, 0, 0]) - -# Reaction 130 -reaction( "CH + CH4 <=> H + C2H4", [6.00000E+13, 0, 0]) - -# Reaction 131 -falloff_reaction( "CH + CO (+ M) <=> HCCO (+ M)", - kf = [5.00000E+13, 0, 0], - kf0 = [2.69000E+28, -3.74, 1936], - falloff = Troe(A = 0.5757, T3 = 237, T1 = 1652, T2 = 5069), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 132 -reaction( "CH + CO2 <=> HCO + CO", [1.90000E+14, 0, 15792]) - -# Reaction 133 -reaction( "CH + CH2O <=> H + CH2CO", [9.46000E+13, 0, -515]) - -# Reaction 134 -reaction( "CH + HCCO <=> CO + C2H2", [5.00000E+13, 0, 0]) - -# Reaction 135 -reaction( "CH2 + O2 => OH + H + CO", [5.00000E+12, 0, 1500]) - -# Reaction 136 -reaction( "CH2 + H2 <=> H + CH3", [5.00000E+05, 2, 7230]) - -# Reaction 137 -reaction( "2 CH2 <=> H2 + C2H2", [1.60000E+15, 0, 11944]) - -# Reaction 138 -reaction( "CH2 + CH3 <=> H + C2H4", [4.00000E+13, 0, 0]) - -# Reaction 139 -reaction( "CH2 + CH4 <=> 2 CH3", [2.46000E+06, 2, 8270]) - -# Reaction 140 -falloff_reaction( "CH2 + CO (+ M) <=> CH2CO (+ M)", - kf = [8.10000E+11, 0.5, 4510], - kf0 = [2.69000E+33, -5.11, 7095], - falloff = Troe(A = 0.5907, T3 = 275, T1 = 1226, T2 = 5185), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 141 -reaction( "CH2 + HCCO <=> C2H3 + CO", [3.00000E+13, 0, 0]) - -# Reaction 142 -reaction( "CH2(S) + N2 <=> CH2 + N2", [1.50000E+13, 0, 600]) - -# Reaction 143 -reaction( "CH2(S) + AR <=> CH2 + AR", [9.00000E+12, 0, 600]) - -# Reaction 144 -reaction( "CH2(S) + O2 <=> H + OH + CO", [2.80000E+13, 0, 0]) - -# Reaction 145 -reaction( "CH2(S) + O2 <=> CO + H2O", [1.20000E+13, 0, 0]) - -# Reaction 146 -reaction( "CH2(S) + H2 <=> CH3 + H", [7.00000E+13, 0, 0]) - -# Reaction 147 -falloff_reaction( "CH2(S) + H2O (+ M) <=> CH3OH (+ M)", - kf = [4.82000E+17, -1.16, 1145], - kf0 = [1.88000E+38, -6.36, 5040], - falloff = Troe(A = 0.6027, T3 = 208, T1 = 3922, T2 = 10180), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 148 -reaction( "CH2(S) + H2O <=> CH2 + H2O", [3.00000E+13, 0, 0]) - -# Reaction 149 -reaction( "CH2(S) + CH3 <=> H + C2H4", [1.20000E+13, 0, -570]) - -# Reaction 150 -reaction( "CH2(S) + CH4 <=> 2 CH3", [1.60000E+13, 0, -570]) - -# Reaction 151 -reaction( "CH2(S) + CO <=> CH2 + CO", [9.00000E+12, 0, 0]) - -# Reaction 152 -reaction( "CH2(S) + CO2 <=> CH2 + CO2", [7.00000E+12, 0, 0]) - -# Reaction 153 -reaction( "CH2(S) + CO2 <=> CO + CH2O", [1.40000E+13, 0, 0]) - -# Reaction 154 -reaction( "CH2(S) + C2H6 <=> CH3 + C2H5", [4.00000E+13, 0, -550]) - -# Reaction 155 -reaction( "CH3 + O2 <=> O + CH3O", [3.56000E+13, 0, 30480]) - -# Reaction 156 -reaction( "CH3 + O2 <=> OH + CH2O", [2.31000E+12, 0, 20315]) - -# Reaction 157 -reaction( "CH3 + H2O2 <=> HO2 + CH4", [2.45000E+04, 2.47, 5180]) - -# Reaction 158 -falloff_reaction( "2 CH3 (+ M) <=> C2H6 (+ M)", - kf = [6.77000E+16, -1.18, 654], - kf0 = [3.40000E+41, -7.03, 2762], - falloff = Troe(A = 0.619, T3 = 73.2, T1 = 1180, T2 = 9999), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 159 -reaction( "2 CH3 <=> H + C2H5", [6.84000E+12, 0.1, 10600]) - -# Reaction 160 -reaction( "CH3 + HCO <=> CH4 + CO", [2.64800E+13, 0, 0]) - -# Reaction 161 -reaction( "CH3 + CH2O <=> HCO + CH4", [3.32000E+03, 2.81, 5860]) - -# Reaction 162 -reaction( "CH3 + CH3OH <=> CH2OH + CH4", [3.00000E+07, 1.5, 9940]) - -# Reaction 163 -reaction( "CH3 + CH3OH <=> CH3O + CH4", [1.00000E+07, 1.5, 9940]) - -# Reaction 164 -reaction( "CH3 + C2H4 <=> C2H3 + CH4", [2.27000E+05, 2, 9200]) - -# Reaction 165 -reaction( "CH3 + C2H6 <=> C2H5 + CH4", [6.14000E+06, 1.74, 10450]) - -# Reaction 166 -reaction( "HCO + H2O <=> H + CO + H2O", [1.50000E+18, -1, 17000]) - -# Reaction 167 -three_body_reaction( "HCO + M <=> H + CO + M", [1.87000E+17, -1, 17000], - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 ") - -# Reaction 168 -reaction( "HCO + O2 <=> HO2 + CO", [1.34500E+13, 0, 400]) - -# Reaction 169 -reaction( "CH2OH + O2 <=> HO2 + CH2O", [1.80000E+13, 0, 900]) - -# Reaction 170 -reaction( "CH3O + O2 <=> HO2 + CH2O", [4.28000E-13, 7.6, -3530]) - -# Reaction 171 -reaction( "C2H + O2 <=> HCO + CO", [1.00000E+13, 0, -755]) - -# Reaction 172 -reaction( "C2H + H2 <=> H + C2H2", [5.68000E+10, 0.9, 1993]) - -# Reaction 173 -reaction( "C2H3 + O2 <=> HCO + CH2O", [4.58000E+16, -1.39, 1015]) - -# Reaction 174 -falloff_reaction( "C2H4 (+ M) <=> H2 + C2H2 (+ M)", - kf = [8.00000E+12, 0.44, 86770], - kf0 = [1.58000E+51, -9.3, 97800], - falloff = Troe(A = 0.7345, T3 = 180, T1 = 1035, T2 = 5417), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 175 -reaction( "C2H5 + O2 <=> HO2 + C2H4", [8.40000E+11, 0, 3875]) - -# Reaction 176 -reaction( "HCCO + O2 <=> OH + 2 CO", [3.20000E+12, 0, 854]) - -# Reaction 177 -reaction( "2 HCCO <=> 2 CO + C2H2", [1.00000E+13, 0, 0]) - -# Reaction 178 -reaction( "N + NO <=> N2 + O", [2.70000E+13, 0, 355]) - -# Reaction 179 -reaction( "N + O2 <=> NO + O", [9.00000E+09, 1, 6500]) - -# Reaction 180 -reaction( "N + OH <=> NO + H", [3.36000E+13, 0, 385]) - -# Reaction 181 -reaction( "N2O + O <=> N2 + O2", [1.40000E+12, 0, 10810]) - -# Reaction 182 -reaction( "N2O + O <=> 2 NO", [2.90000E+13, 0, 23150]) - -# Reaction 183 -reaction( "N2O + H <=> N2 + OH", [3.87000E+14, 0, 18880]) - -# Reaction 184 -reaction( "N2O + OH <=> N2 + HO2", [2.00000E+12, 0, 21060]) - -# Reaction 185 -falloff_reaction( "N2O (+ M) <=> N2 + O (+ M)", - kf = [7.91000E+10, 0, 56020], - kf0 = [6.37000E+14, 0, 56640], - efficiencies = " AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 186 -reaction( "HO2 + NO <=> NO2 + OH", [2.11000E+12, 0, -480]) - -# Reaction 187 -three_body_reaction( "NO + O + M <=> NO2 + M", [1.06000E+20, -1.41, 0], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 188 -reaction( "NO2 + O <=> NO + O2", [3.90000E+12, 0, -240]) - -# Reaction 189 -reaction( "NO2 + H <=> NO + OH", [1.32000E+14, 0, 360]) - -# Reaction 190 -reaction( "NH + O <=> NO + H", [4.00000E+13, 0, 0]) - -# Reaction 191 -reaction( "NH + H <=> N + H2", [3.20000E+13, 0, 330]) - -# Reaction 192 -reaction( "NH + OH <=> HNO + H", [2.00000E+13, 0, 0]) - -# Reaction 193 -reaction( "NH + OH <=> N + H2O", [2.00000E+09, 1.2, 0]) - -# Reaction 194 -reaction( "NH + O2 <=> HNO + O", [4.61000E+05, 2, 6500]) - -# Reaction 195 -reaction( "NH + O2 <=> NO + OH", [1.28000E+06, 1.5, 100]) - -# Reaction 196 -reaction( "NH + N <=> N2 + H", [1.50000E+13, 0, 0]) - -# Reaction 197 -reaction( "NH + H2O <=> HNO + H2", [2.00000E+13, 0, 13850]) - -# Reaction 198 -reaction( "NH + NO <=> N2 + OH", [2.16000E+13, -0.23, 0]) - -# Reaction 199 -reaction( "NH + NO <=> N2O + H", [3.65000E+14, -0.45, 0]) - -# Reaction 200 -reaction( "NH2 + O <=> OH + NH", [3.00000E+12, 0, 0]) - -# Reaction 201 -reaction( "NH2 + O <=> H + HNO", [3.90000E+13, 0, 0]) - -# Reaction 202 -reaction( "NH2 + H <=> NH + H2", [4.00000E+13, 0, 3650]) - -# Reaction 203 -reaction( "NH2 + OH <=> NH + H2O", [9.00000E+07, 1.5, -460]) - -# Reaction 204 -reaction( "NNH <=> N2 + H", [3.30000E+08, 0, 0]) - -# Reaction 205 -three_body_reaction( "NNH + M <=> N2 + H + M", [1.30000E+14, -0.11, 4980], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 206 -reaction( "NNH + O2 <=> HO2 + N2", [5.00000E+12, 0, 0]) - -# Reaction 207 -reaction( "NNH + O <=> OH + N2", [2.50000E+13, 0, 0]) - -# Reaction 208 -reaction( "NNH + O <=> NH + NO", [7.00000E+13, 0, 0]) - -# Reaction 209 -reaction( "NNH + H <=> H2 + N2", [5.00000E+13, 0, 0]) - -# Reaction 210 -reaction( "NNH + OH <=> H2O + N2", [2.00000E+13, 0, 0]) - -# Reaction 211 -reaction( "NNH + CH3 <=> CH4 + N2", [2.50000E+13, 0, 0]) - -# Reaction 212 -three_body_reaction( "H + NO + M <=> HNO + M", [4.48000E+19, -1.32, 740], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 213 -reaction( "HNO + O <=> NO + OH", [2.50000E+13, 0, 0]) - -# Reaction 214 -reaction( "HNO + H <=> H2 + NO", [9.00000E+11, 0.72, 660]) - -# Reaction 215 -reaction( "HNO + OH <=> NO + H2O", [1.30000E+07, 1.9, -950]) - -# Reaction 216 -reaction( "HNO + O2 <=> HO2 + NO", [1.00000E+13, 0, 13000]) - -# Reaction 217 -reaction( "CN + O <=> CO + N", [7.70000E+13, 0, 0]) - -# Reaction 218 -reaction( "CN + OH <=> NCO + H", [4.00000E+13, 0, 0]) - -# Reaction 219 -reaction( "CN + H2O <=> HCN + OH", [8.00000E+12, 0, 7460]) - -# Reaction 220 -reaction( "CN + O2 <=> NCO + O", [6.14000E+12, 0, -440]) - -# Reaction 221 -reaction( "CN + H2 <=> HCN + H", [2.95000E+05, 2.45, 2240]) - -# Reaction 222 -reaction( "NCO + O <=> NO + CO", [2.35000E+13, 0, 0]) - -# Reaction 223 -reaction( "NCO + H <=> NH + CO", [5.40000E+13, 0, 0]) - -# Reaction 224 -reaction( "NCO + OH <=> NO + H + CO", [2.50000E+12, 0, 0]) - -# Reaction 225 -reaction( "NCO + N <=> N2 + CO", [2.00000E+13, 0, 0]) - -# Reaction 226 -reaction( "NCO + O2 <=> NO + CO2", [2.00000E+12, 0, 20000]) - -# Reaction 227 -three_body_reaction( "NCO + M <=> N + CO + M", [3.10000E+14, 0, 54050], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 228 -reaction( "NCO + NO <=> N2O + CO", [1.90000E+17, -1.52, 740]) - -# Reaction 229 -reaction( "NCO + NO <=> N2 + CO2", [3.80000E+18, -2, 800]) - -# Reaction 230 -three_body_reaction( "HCN + M <=> H + CN + M", [1.04000E+29, -3.3, 126600], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 231 -reaction( "HCN + O <=> NCO + H", [2.03000E+04, 2.64, 4980]) - -# Reaction 232 -reaction( "HCN + O <=> NH + CO", [5.07000E+03, 2.64, 4980]) - -# Reaction 233 -reaction( "HCN + O <=> CN + OH", [3.91000E+09, 1.58, 26600]) - -# Reaction 234 -reaction( "HCN + OH <=> HOCN + H", [1.10000E+06, 2.03, 13370]) - -# Reaction 235 -reaction( "HCN + OH <=> HNCO + H", [4.40000E+03, 2.26, 6400]) - -# Reaction 236 -reaction( "HCN + OH <=> NH2 + CO", [1.60000E+02, 2.56, 9000]) - -# Reaction 237 -falloff_reaction( "H + HCN (+ M) <=> H2CN (+ M)", - kf = [3.30000E+13, 0, 0], - kf0 = [1.40000E+26, -3.4, 1900], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 238 -reaction( "H2CN + N <=> N2 + CH2", [6.00000E+13, 0, 400]) - -# Reaction 239 -reaction( "C + N2 <=> CN + N", [6.30000E+13, 0, 46020]) - -# Reaction 240 -reaction( "CH + N2 <=> HCN + N", [3.12000E+09, 0.88, 20130]) - -# Reaction 241 -falloff_reaction( "CH + N2 (+ M) <=> HCNN (+ M)", - kf = [3.10000E+12, 0.15, 0], - kf0 = [1.30000E+25, -3.16, 740], - falloff = Troe(A = 0.667, T3 = 235, T1 = 2117, T2 = 4536), - efficiencies = " AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 242 -reaction( "CH2 + N2 <=> HCN + NH", [1.00000E+13, 0, 74000]) - -# Reaction 243 -reaction( "CH2(S) + N2 <=> NH + HCN", [1.00000E+11, 0, 65000]) - -# Reaction 244 -reaction( "C + NO <=> CN + O", [1.90000E+13, 0, 0]) - -# Reaction 245 -reaction( "C + NO <=> CO + N", [2.90000E+13, 0, 0]) - -# Reaction 246 -reaction( "CH + NO <=> HCN + O", [4.10000E+13, 0, 0]) - -# Reaction 247 -reaction( "CH + NO <=> H + NCO", [1.62000E+13, 0, 0]) - -# Reaction 248 -reaction( "CH + NO <=> N + HCO", [2.46000E+13, 0, 0]) - -# Reaction 249 -reaction( "CH2 + NO <=> H + HNCO", [3.10000E+17, -1.38, 1270]) - -# Reaction 250 -reaction( "CH2 + NO <=> OH + HCN", [2.90000E+14, -0.69, 760]) - -# Reaction 251 -reaction( "CH2 + NO <=> H + HCNO", [3.80000E+13, -0.36, 580]) - -# Reaction 252 -reaction( "CH2(S) + NO <=> H + HNCO", [3.10000E+17, -1.38, 1270]) - -# Reaction 253 -reaction( "CH2(S) + NO <=> OH + HCN", [2.90000E+14, -0.69, 760]) - -# Reaction 254 -reaction( "CH2(S) + NO <=> H + HCNO", [3.80000E+13, -0.36, 580]) - -# Reaction 255 -reaction( "CH3 + NO <=> HCN + H2O", [9.60000E+13, 0, 28800]) - -# Reaction 256 -reaction( "CH3 + NO <=> H2CN + OH", [1.00000E+12, 0, 21750]) - -# Reaction 257 -reaction( "HCNN + O <=> CO + H + N2", [2.20000E+13, 0, 0]) - -# Reaction 258 -reaction( "HCNN + O <=> HCN + NO", [2.00000E+12, 0, 0]) - -# Reaction 259 -reaction( "HCNN + O2 <=> O + HCO + N2", [1.20000E+13, 0, 0]) - -# Reaction 260 -reaction( "HCNN + OH <=> H + HCO + N2", [1.20000E+13, 0, 0]) - -# Reaction 261 -reaction( "HCNN + H <=> CH2 + N2", [1.00000E+14, 0, 0]) - -# Reaction 262 -reaction( "HNCO + O <=> NH + CO2", [9.80000E+07, 1.41, 8500]) - -# Reaction 263 -reaction( "HNCO + O <=> HNO + CO", [1.50000E+08, 1.57, 44000]) - -# Reaction 264 -reaction( "HNCO + O <=> NCO + OH", [2.20000E+06, 2.11, 11400]) - -# Reaction 265 -reaction( "HNCO + H <=> NH2 + CO", [2.25000E+07, 1.7, 3800]) - -# Reaction 266 -reaction( "HNCO + H <=> H2 + NCO", [1.05000E+05, 2.5, 13300]) - -# Reaction 267 -reaction( "HNCO + OH <=> NCO + H2O", [3.30000E+07, 1.5, 3600]) - -# Reaction 268 -reaction( "HNCO + OH <=> NH2 + CO2", [3.30000E+06, 1.5, 3600]) - -# Reaction 269 -three_body_reaction( "HNCO + M <=> NH + CO + M", [1.18000E+16, 0, 84720], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 270 -reaction( "HCNO + H <=> H + HNCO", [2.10000E+15, -0.69, 2850]) - -# Reaction 271 -reaction( "HCNO + H <=> OH + HCN", [2.70000E+11, 0.18, 2120]) - -# Reaction 272 -reaction( "HCNO + H <=> NH2 + CO", [1.70000E+14, -0.75, 2890]) - -# Reaction 273 -reaction( "HOCN + H <=> H + HNCO", [2.00000E+07, 2, 2000]) - -# Reaction 274 -reaction( "HCCO + NO <=> HCNO + CO", [9.00000E+12, 0, 0]) - -# Reaction 275 -reaction( "CH3 + N <=> H2CN + H", [6.10000E+14, -0.31, 290]) - -# Reaction 276 -reaction( "CH3 + N <=> HCN + H2", [3.70000E+12, 0.15, -90]) - -# Reaction 277 -reaction( "NH3 + H <=> NH2 + H2", [5.40000E+05, 2.4, 9915]) - -# Reaction 278 -reaction( "NH3 + OH <=> NH2 + H2O", [5.00000E+07, 1.6, 955]) - -# Reaction 279 -reaction( "NH3 + O <=> NH2 + OH", [9.40000E+06, 1.94, 6460]) - -# Reaction 280 -reaction( "NH + CO2 <=> HNO + CO", [1.00000E+13, 0, 14350]) - -# Reaction 281 -reaction( "CN + NO2 <=> NCO + NO", [6.16000E+15, -0.752, 345]) - -# Reaction 282 -reaction( "NCO + NO2 <=> N2O + CO2", [3.25000E+12, 0, -705]) - -# Reaction 283 -reaction( "N + CO2 <=> NO + CO", [3.00000E+12, 0, 11300]) - -# Reaction 284 -reaction( "O + CH3 => H + H2 + CO", [3.37000E+13, 0, 0]) - -# Reaction 285 -reaction( "O + C2H4 <=> H + CH2CHO", [6.70000E+06, 1.83, 220]) - -# Reaction 286 -reaction( "O + C2H5 <=> H + CH3CHO", [1.09600E+14, 0, 0]) - -# Reaction 287 -reaction( "OH + HO2 <=> O2 + H2O", [5.00000E+15, 0, 17330], - options = 'duplicate') - -# Reaction 288 -reaction( "OH + CH3 => H2 + CH2O", [8.00000E+09, 0.5, -1755]) - -# Reaction 289 -falloff_reaction( "CH + H2 (+ M) <=> CH3 (+ M)", - kf = [1.97000E+12, 0.43, -370], - kf0 = [4.82000E+25, -2.8, 590], - falloff = Troe(A = 0.578, T3 = 122, T1 = 2535, T2 = 9365), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 290 -reaction( "CH2 + O2 => 2 H + CO2", [5.80000E+12, 0, 1500]) - -# Reaction 291 -reaction( "CH2 + O2 <=> O + CH2O", [2.40000E+12, 0, 1500]) - -# Reaction 292 -reaction( "CH2 + CH2 => 2 H + C2H2", [2.00000E+14, 0, 10989]) - -# Reaction 293 -reaction( "CH2(S) + H2O => H2 + CH2O", [6.82000E+10, 0.25, -935]) - -# Reaction 294 -reaction( "C2H3 + O2 <=> O + CH2CHO", [3.03000E+11, 0.29, 11]) - -# Reaction 295 -reaction( "C2H3 + O2 <=> HO2 + C2H2", [1.33700E+06, 1.61, -384]) - -# Reaction 296 -reaction( "O + CH3CHO <=> OH + CH2CHO", [5.84000E+12, 0, 1808]) - -# Reaction 297 -reaction( "O + CH3CHO => OH + CH3 + CO", [5.84000E+12, 0, 1808]) - -# Reaction 298 -reaction( "O2 + CH3CHO => HO2 + CH3 + CO", [3.01000E+13, 0, 39150]) - -# Reaction 299 -reaction( "H + CH3CHO <=> CH2CHO + H2", [2.05000E+09, 1.16, 2405]) - -# Reaction 300 -reaction( "H + CH3CHO => CH3 + H2 + CO", [2.05000E+09, 1.16, 2405]) - -# Reaction 301 -reaction( "OH + CH3CHO => CH3 + H2O + CO", [2.34300E+10, 0.73, -1113]) - -# Reaction 302 -reaction( "HO2 + CH3CHO => CH3 + H2O2 + CO", [3.01000E+12, 0, 11923]) - -# Reaction 303 -reaction( "CH3 + CH3CHO => CH3 + CH4 + CO", [2.72000E+06, 1.77, 5920]) - -# Reaction 304 -falloff_reaction( "H + CH2CO (+ M) <=> CH2CHO (+ M)", - kf = [4.86500E+11, 0.422, -1755], - kf0 = [1.01200E+42, -7.63, 3854], - falloff = Troe(A = 0.465, T3 = 201, T1 = 1773, T2 = 5333), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 305 -reaction( "O + CH2CHO => H + CH2 + CO2", [1.50000E+14, 0, 0]) - -# Reaction 306 -reaction( "O2 + CH2CHO => OH + CO + CH2O", [1.81000E+10, 0, 0]) - -# Reaction 307 -reaction( "O2 + CH2CHO => OH + 2 HCO", [2.35000E+10, 0, 0]) - -# Reaction 308 -reaction( "H + CH2CHO <=> CH3 + HCO", [2.20000E+13, 0, 0]) - -# Reaction 309 -reaction( "H + CH2CHO <=> CH2CO + H2", [1.10000E+13, 0, 0]) - -# Reaction 310 -reaction( "OH + CH2CHO <=> H2O + CH2CO", [1.20000E+13, 0, 0]) - -# Reaction 311 -reaction( "OH + CH2CHO <=> HCO + CH2OH", [3.01000E+13, 0, 0]) - -# Reaction 312 -falloff_reaction( "CH3 + C2H5 (+ M) <=> C3H8 (+ M)", - kf = [9.43000E+12, 0, 0], - kf0 = [2.71000E+74, -16.82, 13065], - falloff = Troe(A = 0.1527, T3 = 291, T1 = 2742, T2 = 7748), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 313 -reaction( "O + C3H8 <=> OH + C3H7", [1.93000E+05, 2.68, 3716]) - -# Reaction 314 -reaction( "H + C3H8 <=> C3H7 + H2", [1.32000E+06, 2.54, 6756]) - -# Reaction 315 -reaction( "OH + C3H8 <=> C3H7 + H2O", [3.16000E+07, 1.8, 934]) - -# Reaction 316 -reaction( "C3H7 + H2O2 <=> HO2 + C3H8", [3.78000E+02, 2.72, 1500]) - -# Reaction 317 -reaction( "CH3 + C3H8 <=> C3H7 + CH4", [9.03000E-01, 3.65, 7154]) - -# Reaction 318 -falloff_reaction( "CH3 + C2H4 (+ M) <=> C3H7 (+ M)", - kf = [2.55000E+06, 1.6, 5700], - kf0 = [3.00000E+63, -14.6, 18170], - falloff = Troe(A = 0.1894, T3 = 277, T1 = 8748, T2 = 7891), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 319 -reaction( "O + C3H7 <=> C2H5 + CH2O", [9.64000E+13, 0, 0]) - -# Reaction 320 -falloff_reaction( "H + C3H7 (+ M) <=> C3H8 (+ M)", - kf = [3.61300E+13, 0, 0], - kf0 = [4.42000E+61, -13.545, 11357], - falloff = Troe(A = 0.315, T3 = 369, T1 = 3285, T2 = 6667), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 321 -reaction( "H + C3H7 <=> CH3 + C2H5", [4.06000E+06, 2.19, 890]) - -# Reaction 322 -reaction( "OH + C3H7 <=> C2H5 + CH2OH", [2.41000E+13, 0, 0]) - -# Reaction 323 -reaction( "HO2 + C3H7 <=> O2 + C3H8", [2.55000E+10, 0.255, -943]) - -# Reaction 324 -reaction( "HO2 + C3H7 => OH + C2H5 + CH2O", [2.41000E+13, 0, 0]) - -# Reaction 325 -reaction( "CH3 + C3H7 <=> 2 C2H5", [1.92700E+13, -0.32, 0]) diff --git a/test_problems/ChemEquil_gri_matrix/gri30.xml b/test_problems/ChemEquil_gri_matrix/gri30.xml deleted file mode 100644 index 6acba138c..000000000 --- a/test_problems/ChemEquil_gri_matrix/gri30.xml +++ /dev/null @@ -1,6173 +0,0 @@ - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - - - - H:2 - TPIS78 - - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 - - - - - - H:1 - L 7/88 - - - - 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 - - - - 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 - - - - atom - 145.000 - 2.050 - 0.000 - 0.000 - 0.000 - - - - - - O:1 - L 1/90 - - - - 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 - - - - 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, - 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 - - - - atom - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - O:2 - TPIS89 - - - - 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 - - - - 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 - - - - linear - 107.400 - 3.460 - 0.000 - 1.600 - 3.800 - - - - - - H:1 O:1 - RUS 78 - - - - 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 - - - - 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, - 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 O:1 - L 8/89 - - - - 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 - - - - 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 - - - - nonlinear - 572.400 - 2.600 - 1.840 - 0.000 - 4.000 - - - - - - H:1 O:2 - L 5/89 - - - - 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 - - - - 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, - -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 1.000 - - - - - - H:2 O:2 - L 7/88 - - - - 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, - 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 - - - - 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, - -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 3.800 - - - - - - C:1 - L11/88 - - - - 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, - 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 - - - - 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, - -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 C:1 - TPIS79 - - - - 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, - -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 - - - - 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, - 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, - 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 - - - - 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, - -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, - 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 - - - - 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, - -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:3 C:1 - L11/89 - - - - 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, - 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 - - - - 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, - -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:4 C:1 - L 8/88 - - - - 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, - 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 - - - - 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, - -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 - - - - nonlinear - 141.400 - 3.750 - 0.000 - 2.600 - 13.000 - - - - - - C:1 O:1 - TPIS79 - - - - 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, - -9.044244990E-13, -1.434408600E+04, 3.508409280E+00 - - - - 2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10, - -2.036477160E-14, -1.415187240E+04, 7.818687720E+00 - - - - linear - 98.100 - 3.650 - 0.000 - 1.950 - 1.800 - - - - - - C:1 O:2 - L 7/88 - - - - 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, - -1.436995480E-13, -4.837196970E+04, 9.901052220E+00 - - - - 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, - -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 - - - - linear - 244.000 - 3.760 - 0.000 - 2.650 - 2.100 - - - - - - H:1 C:1 O:1 - L12/89 - - - - 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, - 4.337688650E-12, 3.839564960E+03, 3.394372430E+00 - - - - 2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10, - -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 O:1 - L 8/88 - - - - 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, - 1.317726520E-11, -1.430895670E+04, 6.028129000E-01 - - - - 1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09, - -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - GUNL93 - - - - 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, - 4.369672780E-12, -3.193913670E+03, 5.473022430E+00 - - - - 3.692665690E+00, 8.645767970E-03, -3.751011200E-06, 7.872346360E-10, - -6.485542010E-14, -3.242506270E+03, 5.810432150E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - 121686 - - - - 2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09, - 2.075610000E-12, 9.786011000E+02, 1.315217700E+01 - - - - 3.770799000E+00, 7.871497000E-03, -2.656384000E-06, 3.944431000E-10, - -2.112616000E-14, 1.278325200E+02, 2.929575000E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:4 C:1 O:1 - L 8/88 - - - - 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, - 2.613526980E-11, -2.564276560E+04, -1.504098230E+00 - - - - 1.789707910E+00, 1.409382920E-02, -6.365008350E-06, 1.381710850E-09, - -1.170602200E-13, -2.537487470E+04, 1.450236230E+01 - - - - nonlinear - 481.800 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:2 - L 1/91 - - - - 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, - -1.093315110E-11, 6.683939320E+04, 6.222964380E+00 - - - - 3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10, - -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:2 C:2 - L 1/91 - - - - 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, - -8.500729740E-12, 2.642898070E+04, 1.393970510E+01 - - - - 4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10, - -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:3 C:2 - L 2/92 - - - - 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, - 1.471508730E-11, 3.485984680E+04, 8.510540250E+00 - - - - 3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09, - -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 - - - - nonlinear - 209.000 - 4.100 - 0.000 - 0.000 - 1.000 - - - - - - H:4 C:2 - L 1/91 - - - - 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, - 2.698843730E-11, 5.089775930E+03, 4.097330960E+00 - - - - 2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09, - -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 - - - - nonlinear - 280.800 - 3.970 - 0.000 - 0.000 - 1.500 - - - - - - H:5 C:2 - L12/92 - - - - 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, - 2.305090040E-11, 1.284162650E+04, 4.707209240E+00 - - - - 1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09, - -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:6 C:2 - L 8/88 - - - - 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, - 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 - - - - 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, - -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:1 C:2 O:1 - SRIC91 - - - - 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, - -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 - - - - 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, - -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:2 O:1 - L 5/90 - - - - 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, - -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 - - - - 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, - -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:2 C:2 O:1 - SRI91 - - - - 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, - -1.401459400E-11, 8.031614300E+03, 1.387431900E+01 - - - - 5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10, - -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - N:1 - L 6/88 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, 5.610463700E+04, 4.193908700E+00 - - - - 2.415942900E+00, 1.748906500E-04, -1.190236900E-07, 3.022624500E-11, - -2.036098200E-15, 5.613377300E+04, 4.649609600E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 N:1 - And94 - - - - 3.492908500E+00, 3.117919800E-04, -1.489048400E-06, 2.481644200E-09, - -1.035696700E-12, 4.188062900E+04, 1.848327800E+00 - - - - 2.783692800E+00, 1.329843000E-03, -4.247804700E-07, 7.834850100E-11, - -5.504447000E-15, 4.212084800E+04, 5.740779900E+00 - - - - linear - 80.000 - 2.650 - 0.000 - 0.000 - 4.000 - - - - - - H:2 N:1 - And89 - - - - 4.204002900E+00, -2.106138500E-03, 7.106834800E-06, -5.611519700E-09, - 1.644071700E-12, 2.188591000E+04, -1.418424800E-01 - - - - 2.834742100E+00, 3.207308200E-03, -9.339080400E-07, 1.370295300E-10, - -7.920614400E-15, 2.217195700E+04, 6.520416300E+00 - - - - nonlinear - 80.000 - 2.650 - 0.000 - 2.260 - 4.000 - - - - - - H:3 N:1 - J 6/77 - - - - 4.286027400E+00, -4.660523000E-03, 2.171851300E-05, -2.280888700E-08, - 8.263804600E-12, -6.741728500E+03, -6.253727700E-01 - - - - 2.634452100E+00, 5.666256000E-03, -1.727867600E-06, 2.386716100E-10, - -1.257878600E-14, -6.544695800E+03, 6.566292800E+00 - - - - nonlinear - 481.000 - 2.920 - 1.470 - 0.000 - 10.000 - - - - - - H:1 N:2 - T07/93 - - - - 4.344692700E+00, -4.849707200E-03, 2.005945900E-05, -2.172646400E-08, - 7.946953900E-12, 2.879197300E+04, 2.977941000E+00 - - - - 3.766754400E+00, 2.891508200E-03, -1.041662000E-06, 1.684259400E-10, - -1.009189600E-14, 2.865069700E+04, 4.470506700E+00 - - - - nonlinear - 71.400 - 3.800 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:1 - RUS 78 - - - - 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, - 2.803577000E-12, 9.844623000E+03, 2.280846400E+00 - - - - 3.260605600E+00, 1.191104300E-03, -4.291704800E-07, 6.945766900E-11, - -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - O:2 N:1 - L 7/88 - - - - 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, - 7.835056400E-12, 2.896617900E+03, 6.311991700E+00 - - - - 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, - -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 - - - - nonlinear - 200.000 - 3.500 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:2 - L 7/88 - - - - 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, - -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 - - - - 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, - -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 O:1 N:1 - And93 - - - - 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, - 5.545457300E-12, 1.154829700E+04, 1.749841700E+00 - - - - 2.979250900E+00, 3.494405900E-03, -7.854977800E-07, 5.747959400E-11, - -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 - - - - nonlinear - 116.700 - 3.490 - 0.000 - 0.000 - 1.000 - - - - - - C:1 N:1 - HBH92 - - - - 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, - -4.643035600E-13, 5.170834000E+04, 3.980499500E+00 - - - - 3.745980500E+00, 4.345077500E-05, 2.970598400E-07, -6.865180600E-11, - 4.413417300E-15, 5.153618800E+04, 2.786760100E+00 - - - - linear - 75.000 - 3.860 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:1 - GRI/98 - - - - 2.258988600E+00, 1.005117000E-02, -1.335176300E-05, 1.009234900E-08, - -3.008902800E-12, 1.471263300E+04, 8.916441900E+00 - - - - 3.802239200E+00, 3.146422800E-03, -1.063218500E-06, 1.661975700E-10, - -9.799757000E-15, 1.440729200E+04, 1.575460100E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:1 N:1 - 41687 - - - - 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, - -2.351108100E-13, 2.863782000E+04, 8.992751100E+00 - - - - 5.209703000E+00, 2.969291100E-03, -2.855589100E-07, -1.635550000E-10, - 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:2 - SRI/94 - - - - 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, - -3.235737800E-12, 5.426198400E+04, 1.167587000E+01 - - - - 5.894636200E+00, 3.989595900E-03, -1.598238000E-06, 2.924939500E-10, - -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, - -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 - - - - 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, - -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, - 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 - - - - 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, - -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, - 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 - - - - 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, - -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - C:1 O:1 N:1 - EA 93 - - - - 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, - -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 - - - - 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, - -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - N:2 - 121286 - - - - 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 - - - - 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, - -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - Ar:1 - 120186 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - atom - 136.500 - 3.330 - 0.000 - 0.000 - 0.000 - - - - - - H:7 C:3 - L 9/84 - - - - 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, - 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 - - - - 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, - -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:8 C:3 - L 4/85 - - - - 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, - 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 - - - - 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, - -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:3 C:2 O:1 - SAND86 - - - - 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, - 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 - - - - 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, - -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:4 C:2 O:1 - L 8/88 - - - - 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, - 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 - - - - 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, - -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - - - 2 O + M [=] O2 + M - - - 1.200000E+11 - -1 - 0.000000 - - AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 - - O:2 - O2:1 - - - - - O + H + M [=] OH + M - - - 5.000000E+11 - -1 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 O:1 - OH:1 - - - - - O + H2 [=] H + OH - - - 3.870000E+01 - 2.7000000000000002 - 6260.000000 - - - H2:1 O:1 - H:1 OH:1 - - - - - O + HO2 [=] OH + O2 - - - 2.000000E+10 - 0 - 0.000000 - - - HO2:1 O:1 - O2:1 OH:1 - - - - - O + H2O2 [=] OH + HO2 - - - 9.630000E+03 - 2 - 4000.000000 - - - H2O2:1 O:1 - HO2:1 OH:1 - - - - - O + CH [=] H + CO - - - 5.700000E+10 - 0 - 0.000000 - - - CH:1 O:1 - H:1 CO:1 - - - - - O + CH2 [=] H + HCO - - - 8.000000E+10 - 0 - 0.000000 - - - CH2:1 O:1 - H:1 HCO:1 - - - - - O + CH2(S) [=] H2 + CO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H2:1 CO:1 - - - - - O + CH2(S) [=] H + HCO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H:1 HCO:1 - - - - - O + CH3 [=] H + CH2O - - - 5.060000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - CH2O:1 H:1 - - - - - O + CH4 [=] OH + CH3 - - - 1.020000E+06 - 1.5 - 8600.000000 - - - CH4:1 O:1 - CH3:1 OH:1 - - - - - O + CO (+ M) [=] CO2 (+ M) - - - 1.800000E+07 - 0 - 2385.000000 - - - 6.020000E+08 - 0 - 3000.000000 - - AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 - - - CO:1 O:1 - CO2:1 - - - - - O + HCO [=] OH + CO - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - CO:1 OH:1 - - - - - O + HCO [=] H + CO2 - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - H:1 CO2:1 - - - - - O + CH2O [=] OH + HCO - - - 3.900000E+10 - 0 - 3540.000000 - - - CH2O:1 O:1 - HCO:1 OH:1 - - - - - O + CH2OH [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH2OH:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3O [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH3O:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3OH [=] OH + CH2OH - - - 3.880000E+02 - 2.5 - 3100.000000 - - - CH3OH:1 O:1 - CH2OH:1 OH:1 - - - - - O + CH3OH [=] OH + CH3O - - - 1.300000E+02 - 2.5 - 5000.000000 - - - CH3OH:1 O:1 - CH3O:1 OH:1 - - - - - O + C2H [=] CH + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C2H:1 O:1 - CH:1 CO:1 - - - - - O + C2H2 [=] H + HCCO - - - 1.350000E+04 - 2 - 1900.000000 - - - C2H2:1 O:1 - H:1 HCCO:1 - - - - - O + C2H2 [=] OH + C2H - - - 4.600000E+16 - -1.4099999999999999 - 28950.000000 - - - C2H2:1 O:1 - C2H:1 OH:1 - - - - - O + C2H2 [=] CO + CH2 - - - 6.940000E+03 - 2 - 1900.000000 - - - C2H2:1 O:1 - CH2:1 CO:1 - - - - - O + C2H3 [=] H + CH2CO - - - 3.000000E+10 - 0 - 0.000000 - - - C2H3:1 O:1 - H:1 CH2CO:1 - - - - - O + C2H4 [=] CH3 + HCO - - - 1.250000E+04 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - CH3:1 HCO:1 - - - - - O + C2H5 [=] CH3 + CH2O - - - 2.240000E+10 - 0 - 0.000000 - - - C2H5:1 O:1 - CH2O:1 CH3:1 - - - - - O + C2H6 [=] OH + C2H5 - - - 8.980000E+04 - 1.9199999999999999 - 5690.000000 - - - C2H6:1 O:1 - C2H5:1 OH:1 - - - - - O + HCCO [=] H + 2 CO - - - 1.000000E+11 - 0 - 0.000000 - - - HCCO:1 O:1 - H:1 CO:2 - - - - - O + CH2CO [=] OH + HCCO - - - 1.000000E+10 - 0 - 8000.000000 - - - CH2CO:1 O:1 - HCCO:1 OH:1 - - - - - O + CH2CO [=] CH2 + CO2 - - - 1.750000E+09 - 0 - 1350.000000 - - - CH2CO:1 O:1 - CH2:1 CO2:1 - - - - - O2 + CO [=] O + CO2 - - - 2.500000E+09 - 0 - 47800.000000 - - - CO:1 O2:1 - CO2:1 O:1 - - - - - O2 + CH2O [=] HO2 + HCO - - - 1.000000E+11 - 0 - 40000.000000 - - - CH2O:1 O2:1 - HO2:1 HCO:1 - - - - - H + O2 + M [=] HO2 + M - - - 2.800000E+12 - -0.85999999999999999 - 0.000000 - - AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 - - H:1 O2:1 - HO2:1 - - - - - H + 2 O2 [=] HO2 + O2 - - - 2.080000E+13 - -1.24 - 0.000000 - - - H:1 O2:2 - HO2:1 O2:1 - - - - - H + O2 + H2O [=] HO2 + H2O - - - 1.126000E+13 - -0.76000000000000001 - 0.000000 - - - H:1 H2O:1 O2:1 - H2O:1 HO2:1 - - - - - H + O2 + N2 [=] HO2 + N2 - - - 2.600000E+13 - -1.24 - 0.000000 - - - H:1 N2:1 O2:1 - N2:1 HO2:1 - - - - - H + O2 + AR [=] HO2 + AR - - - 7.000000E+11 - -0.80000000000000004 - 0.000000 - - - H:1 AR:1 O2:1 - AR:1 HO2:1 - - - - - H + O2 [=] O + OH - - - 2.650000E+13 - -0.67069999999999996 - 17041.000000 - - - H:1 O2:1 - O:1 OH:1 - - - - - 2 H + M [=] H2 + M - - - 1.000000E+12 - -1 - 0.000000 - - AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 - - H:2 - H2:1 - - - - - 2 H + H2 [=] 2 H2 - - - 9.000000E+10 - -0.59999999999999998 - 0.000000 - - - H2:1 H:2 - H2:2 - - - - - 2 H + H2O [=] H2 + H2O - - - 6.000000E+13 - -1.25 - 0.000000 - - - H:2 H2O:1 - H2:1 H2O:1 - - - - - 2 H + CO2 [=] H2 + CO2 - - - 5.500000E+14 - -2 - 0.000000 - - - H:2 CO2:1 - H2:1 CO2:1 - - - - - H + OH + M [=] H2O + M - - - 2.200000E+16 - -2 - 0.000000 - - AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 - - H:1 OH:1 - H2O:1 - - - - - H + HO2 [=] O + H2O - - - 3.970000E+09 - 0 - 671.000000 - - - H:1 HO2:1 - H2O:1 O:1 - - - - - H + HO2 [=] O2 + H2 - - - 4.480000E+10 - 0 - 1068.000000 - - - H:1 HO2:1 - H2:1 O2:1 - - - - - H + HO2 [=] 2 OH - - - 8.400000E+10 - 0 - 635.000000 - - - H:1 HO2:1 - OH:2 - - - - - H + H2O2 [=] HO2 + H2 - - - 1.210000E+04 - 2 - 5200.000000 - - - H:1 H2O2:1 - H2:1 HO2:1 - - - - - H + H2O2 [=] OH + H2O - - - 1.000000E+10 - 0 - 3600.000000 - - - H:1 H2O2:1 - H2O:1 OH:1 - - - - - H + CH [=] C + H2 - - - 1.650000E+11 - 0 - 0.000000 - - - H:1 CH:1 - H2:1 C:1 - - - - - H + CH2 (+ M) [=] CH3 (+ M) - - - 6.000000E+11 - 0 - 0.000000 - - - 1.040000E+20 - -2.7599999999999998 - 1600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.562 91 5836 8552 - - H:1 CH2:1 - CH3:1 - - - - - H + CH2(S) [=] CH + H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 CH2(S):1 - H2:1 CH:1 - - - - - H + CH3 (+ M) [=] CH4 (+ M) - - - 1.390000E+13 - -0.53400000000000003 - 536.000000 - - - 2.620000E+27 - -4.7599999999999998 - 2440.000000 - - AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 - 0.783 74 2941 6964 - - H:1 CH3:1 - CH4:1 - - - - - H + CH4 [=] CH3 + H2 - - - 6.600000E+05 - 1.6200000000000001 - 10840.000000 - - - H:1 CH4:1 - H2:1 CH3:1 - - - - - H + HCO (+ M) [=] CH2O (+ M) - - - 1.090000E+09 - 0.47999999999999998 - -260.000000 - - - 2.470000E+18 - -2.5699999999999998 - 425.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7824 271 2755 6570 - - H:1 HCO:1 - CH2O:1 - - - - - H + HCO [=] H2 + CO - - - 7.340000E+10 - 0 - 0.000000 - - - H:1 HCO:1 - H2:1 CO:1 - - - - - H + CH2O (+ M) [=] CH2OH (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 3600.000000 - - - 1.270000E+26 - -4.8200000000000003 - 6530.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7187 103 1291 4160 - - CH2O:1 H:1 - CH2OH:1 - - - - - H + CH2O (+ M) [=] CH3O (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 2600.000000 - - - 2.200000E+24 - -4.7999999999999998 - 5560.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.758 94 1555 4200 - - CH2O:1 H:1 - CH3O:1 - - - - - H + CH2O [=] HCO + H2 - - - 5.740000E+04 - 1.8999999999999999 - 2742.000000 - - - CH2O:1 H:1 - H2:1 HCO:1 - - - - - H + CH2OH (+ M) [=] CH3OH (+ M) - - - 1.055000E+09 - 0.5 - 86.000000 - - - 4.360000E+25 - -4.6500000000000004 - 5080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6 100 90000 10000 - - H:1 CH2OH:1 - CH3OH:1 - - - - - H + CH2OH [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH2OH:1 - H2:1 CH2O:1 - - - - - H + CH2OH [=] OH + CH3 - - - 1.650000E+08 - 0.65000000000000002 - -284.000000 - - - H:1 CH2OH:1 - CH3:1 OH:1 - - - - - H + CH2OH [=] CH2(S) + H2O - - - 3.280000E+10 - -0.089999999999999997 - 610.000000 - - - H:1 CH2OH:1 - CH2(S):1 H2O:1 - - - - - H + CH3O (+ M) [=] CH3OH (+ M) - - - 2.430000E+09 - 0.51500000000000001 - 50.000000 - - - 4.660000E+35 - -7.4400000000000004 - 14080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7 100 90000 10000 - - H:1 CH3O:1 - CH3OH:1 - - - - - H + CH3O [=] H + CH2OH - - - 4.150000E+04 - 1.6299999999999999 - 1924.000000 - - - H:1 CH3O:1 - H:1 CH2OH:1 - - - - - H + CH3O [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH3O:1 - H2:1 CH2O:1 - - - - - H + CH3O [=] OH + CH3 - - - 1.500000E+09 - 0.5 - -110.000000 - - - H:1 CH3O:1 - CH3:1 OH:1 - - - - - H + CH3O [=] CH2(S) + H2O - - - 2.620000E+11 - -0.23000000000000001 - 1070.000000 - - - H:1 CH3O:1 - CH2(S):1 H2O:1 - - - - - H + CH3OH [=] CH2OH + H2 - - - 1.700000E+04 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH2OH:1 - - - - - H + CH3OH [=] CH3O + H2 - - - 4.200000E+03 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH3O:1 - - - - - H + C2H (+ M) [=] C2H2 (+ M) - - - 1.000000E+14 - -1 - 0.000000 - - - 3.750000E+27 - -4.7999999999999998 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6464 132 1315 5566 - - H:1 C2H:1 - C2H2:1 - - - - - H + C2H2 (+ M) [=] C2H3 (+ M) - - - 5.600000E+09 - 0 - 2400.000000 - - - 3.800000E+34 - -7.2699999999999996 - 7220.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7507 98.5 1302 4167 - - H:1 C2H2:1 - C2H3:1 - - - - - H + C2H3 (+ M) [=] C2H4 (+ M) - - - 6.080000E+09 - 0.27000000000000002 - 280.000000 - - - 1.400000E+24 - -3.8599999999999999 - 3320.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.782 207.5 2663 6095 - - H:1 C2H3:1 - C2H4:1 - - - - - H + C2H3 [=] H2 + C2H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 C2H3:1 - H2:1 C2H2:1 - - - - - H + C2H4 (+ M) [=] C2H5 (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 1820.000000 - - - 6.000000E+35 - -7.6200000000000001 - 6970.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.9753 210 984 4374 - - H:1 C2H4:1 - C2H5:1 - - - - - H + C2H4 [=] C2H3 + H2 - - - 1.325000E+03 - 2.5299999999999998 - 12240.000000 - - - H:1 C2H4:1 - H2:1 C2H3:1 - - - - - H + C2H5 (+ M) [=] C2H6 (+ M) - - - 5.210000E+14 - -0.98999999999999999 - 1580.000000 - - - 1.990000E+35 - -7.0800000000000001 - 6685.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.8422 125 2219 6882 - - H:1 C2H5:1 - C2H6:1 - - - - - H + C2H5 [=] H2 + C2H4 - - - 2.000000E+09 - 0 - 0.000000 - - - H:1 C2H5:1 - H2:1 C2H4:1 - - - - - H + C2H6 [=] C2H5 + H2 - - - 1.150000E+05 - 1.8999999999999999 - 7530.000000 - - - H:1 C2H6:1 - H2:1 C2H5:1 - - - - - H + HCCO [=] CH2(S) + CO - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCCO:1 - CH2(S):1 CO:1 - - - - - H + CH2CO [=] HCCO + H2 - - - 5.000000E+10 - 0 - 8000.000000 - - - H:1 CH2CO:1 - H2:1 HCCO:1 - - - - - H + CH2CO [=] CH3 + CO - - - 1.130000E+10 - 0 - 3428.000000 - - - H:1 CH2CO:1 - CH3:1 CO:1 - - - - - H + HCCOH [=] H + CH2CO - - - 1.000000E+10 - 0 - 0.000000 - - - H:1 HCCOH:1 - H:1 CH2CO:1 - - - - - H2 + CO (+ M) [=] CH2O (+ M) - - - 4.300000E+04 - 1.5 - 79600.000000 - - - 5.070000E+21 - -3.4199999999999999 - 84350.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.932 197 1540 10300 - - H2:1 CO:1 - CH2O:1 - - - - - OH + H2 [=] H + H2O - - - 2.160000E+05 - 1.51 - 3430.000000 - - - H2:1 OH:1 - H:1 H2O:1 - - - - - 2 OH (+ M) [=] H2O2 (+ M) - - - 7.400000E+10 - -0.37 - 0.000000 - - - 2.300000E+12 - -0.90000000000000002 - -1700.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7346 94 1756 5182 - - OH:2 - H2O2:1 - - - - - 2 OH [=] O + H2O - - - 3.570000E+01 - 2.3999999999999999 - -2110.000000 - - - OH:2 - H2O:1 O:1 - - - - - OH + HO2 [=] O2 + H2O - - - 1.450000E+10 - 0 - -500.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 2.000000E+09 - 0 - 427.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 1.700000E+15 - 0 - 29410.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + C [=] H + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 OH:1 - H:1 CO:1 - - - - - OH + CH [=] H + HCO - - - 3.000000E+10 - 0 - 0.000000 - - - CH:1 OH:1 - H:1 HCO:1 - - - - - OH + CH2 [=] H + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 OH:1 - CH2O:1 H:1 - - - - - OH + CH2 [=] CH + H2O - - - 1.130000E+04 - 2 - 3000.000000 - - - CH2:1 OH:1 - H2O:1 CH:1 - - - - - OH + CH2(S) [=] H + CH2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 OH:1 - CH2O:1 H:1 - - - - - OH + CH3 (+ M) [=] CH3OH (+ M) - - - 2.790000E+15 - -1.4299999999999999 - 1330.000000 - - - 4.000000E+30 - -5.9199999999999999 - 3140.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.412 195 5900 6394 - - CH3:1 OH:1 - CH3OH:1 - - - - - OH + CH3 [=] CH2 + H2O - - - 5.600000E+04 - 1.6000000000000001 - 5420.000000 - - - CH3:1 OH:1 - CH2:1 H2O:1 - - - - - OH + CH3 [=] CH2(S) + H2O - - - 6.440000E+14 - -1.3400000000000001 - 1417.000000 - - - CH3:1 OH:1 - CH2(S):1 H2O:1 - - - - - OH + CH4 [=] CH3 + H2O - - - 1.000000E+05 - 1.6000000000000001 - 3120.000000 - - - CH4:1 OH:1 - H2O:1 CH3:1 - - - - - OH + CO [=] H + CO2 - - - 4.760000E+04 - 1.228 - 70.000000 - - - CO:1 OH:1 - H:1 CO2:1 - - - - - OH + HCO [=] H2O + CO - - - 5.000000E+10 - 0 - 0.000000 - - - HCO:1 OH:1 - H2O:1 CO:1 - - - - - OH + CH2O [=] HCO + H2O - - - 3.430000E+06 - 1.1799999999999999 - -447.000000 - - - CH2O:1 OH:1 - H2O:1 HCO:1 - - - - - OH + CH2OH [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH2OH:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3O [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH3O:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3OH [=] CH2OH + H2O - - - 1.440000E+03 - 2 - -840.000000 - - - CH3OH:1 OH:1 - CH2OH:1 H2O:1 - - - - - OH + CH3OH [=] CH3O + H2O - - - 6.300000E+03 - 2 - 1500.000000 - - - CH3OH:1 OH:1 - H2O:1 CH3O:1 - - - - - OH + C2H [=] H + HCCO - - - 2.000000E+10 - 0 - 0.000000 - - - C2H:1 OH:1 - H:1 HCCO:1 - - - - - OH + C2H2 [=] H + CH2CO - - - 2.180000E-07 - 4.5 - -1000.000000 - - - C2H2:1 OH:1 - H:1 CH2CO:1 - - - - - OH + C2H2 [=] H + HCCOH - - - 5.040000E+02 - 2.2999999999999998 - 13500.000000 - - - C2H2:1 OH:1 - H:1 HCCOH:1 - - - - - OH + C2H2 [=] C2H + H2O - - - 3.370000E+04 - 2 - 14000.000000 - - - C2H2:1 OH:1 - C2H:1 H2O:1 - - - - - OH + C2H2 [=] CH3 + CO - - - 4.830000E-07 - 4 - -2000.000000 - - - C2H2:1 OH:1 - CH3:1 CO:1 - - - - - OH + C2H3 [=] H2O + C2H2 - - - 5.000000E+09 - 0 - 0.000000 - - - C2H3:1 OH:1 - H2O:1 C2H2:1 - - - - - OH + C2H4 [=] C2H3 + H2O - - - 3.600000E+03 - 2 - 2500.000000 - - - C2H4:1 OH:1 - H2O:1 C2H3:1 - - - - - OH + C2H6 [=] C2H5 + H2O - - - 3.540000E+03 - 2.1200000000000001 - 870.000000 - - - C2H6:1 OH:1 - C2H5:1 H2O:1 - - - - - OH + CH2CO [=] HCCO + H2O - - - 7.500000E+09 - 0 - 2000.000000 - - - CH2CO:1 OH:1 - H2O:1 HCCO:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 1.300000E+08 - 0 - -1630.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 4.200000E+11 - 0 - 12000.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - HO2 + CH2 [=] OH + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 HO2:1 - CH2O:1 OH:1 - - - - - HO2 + CH3 [=] O2 + CH4 - - - 1.000000E+09 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH4:1 O2:1 - - - - - HO2 + CH3 [=] OH + CH3O - - - 3.780000E+10 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH3O:1 OH:1 - - - - - HO2 + CO [=] OH + CO2 - - - 1.500000E+11 - 0 - 23600.000000 - - - CO:1 HO2:1 - CO2:1 OH:1 - - - - - HO2 + CH2O [=] HCO + H2O2 - - - 5.600000E+03 - 2 - 12000.000000 - - - CH2O:1 HO2:1 - HCO:1 H2O2:1 - - - - - C + O2 [=] O + CO - - - 5.800000E+10 - 0 - 576.000000 - - - C:1 O2:1 - CO:1 O:1 - - - - - C + CH2 [=] H + C2H - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH2:1 - H:1 C2H:1 - - - - - C + CH3 [=] H + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH3:1 - H:1 C2H2:1 - - - - - CH + O2 [=] O + HCO - - - 6.710000E+10 - 0 - 0.000000 - - - CH:1 O2:1 - HCO:1 O:1 - - - - - CH + H2 [=] H + CH2 - - - 1.080000E+11 - 0 - 3110.000000 - - - H2:1 CH:1 - H:1 CH2:1 - - - - - CH + H2O [=] H + CH2O - - - 5.710000E+09 - 0 - -755.000000 - - - H2O:1 CH:1 - CH2O:1 H:1 - - - - - CH + CH2 [=] H + C2H2 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH:1 - H:1 C2H2:1 - - - - - CH + CH3 [=] H + C2H3 - - - 3.000000E+10 - 0 - 0.000000 - - - CH3:1 CH:1 - H:1 C2H3:1 - - - - - CH + CH4 [=] H + C2H4 - - - 6.000000E+10 - 0 - 0.000000 - - - CH:1 CH4:1 - H:1 C2H4:1 - - - - - CH + CO (+ M) [=] HCCO (+ M) - - - 5.000000E+10 - 0 - 0.000000 - - - 2.690000E+22 - -3.7400000000000002 - 1936.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5757 237 1652 5069 - - CH:1 CO:1 - HCCO:1 - - - - - CH + CO2 [=] HCO + CO - - - 1.900000E+11 - 0 - 15792.000000 - - - CH:1 CO2:1 - CO:1 HCO:1 - - - - - CH + CH2O [=] H + CH2CO - - - 9.460000E+10 - 0 - -515.000000 - - - CH2O:1 CH:1 - H:1 CH2CO:1 - - - - - CH + HCCO [=] CO + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - CH:1 HCCO:1 - CO:1 C2H2:1 - - - - - CH2 + O2 =] OH + H + CO - - - 5.000000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2 + H2 [=] H + CH3 - - - 5.000000E+02 - 2 - 7230.000000 - - - H2:1 CH2:1 - H:1 CH3:1 - - - - - 2 CH2 [=] H2 + C2H2 - - - 1.600000E+12 - 0 - 11944.000000 - - - CH2:2 - H2:1 C2H2:1 - - - - - CH2 + CH3 [=] H + C2H4 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH3:1 - H:1 C2H4:1 - - - - - CH2 + CH4 [=] 2 CH3 - - - 2.460000E+03 - 2 - 8270.000000 - - - CH2:1 CH4:1 - CH3:2 - - - - - CH2 + CO (+ M) [=] CH2CO (+ M) - - - 8.100000E+08 - 0.5 - 4510.000000 - - - 2.690000E+27 - -5.1100000000000003 - 7095.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5907 275 1226 5185 - - CH2:1 CO:1 - CH2CO:1 - - - - - CH2 + HCCO [=] C2H3 + CO - - - 3.000000E+10 - 0 - 0.000000 - - - CH2:1 HCCO:1 - CO:1 C2H3:1 - - - - - CH2(S) + N2 [=] CH2 + N2 - - - 1.500000E+10 - 0 - 600.000000 - - - CH2(S):1 N2:1 - CH2:1 N2:1 - - - - - CH2(S) + AR [=] CH2 + AR - - - 9.000000E+09 - 0 - 600.000000 - - - CH2(S):1 AR:1 - CH2:1 AR:1 - - - - - CH2(S) + O2 [=] H + OH + CO - - - 2.800000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2(S) + O2 [=] CO + H2O - - - 1.200000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H2O:1 CO:1 - - - - - CH2(S) + H2 [=] CH3 + H - - - 7.000000E+10 - 0 - 0.000000 - - - H2:1 CH2(S):1 - H:1 CH3:1 - - - - - CH2(S) + H2O (+ M) [=] CH3OH (+ M) - - - 4.820000E+14 - -1.1599999999999999 - 1145.000000 - - - 1.880000E+32 - -6.3600000000000003 - 5040.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6027 208 3922 10180 - - CH2(S):1 H2O:1 - CH3OH:1 - - - - - CH2(S) + H2O [=] CH2 + H2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 H2O:1 - CH2:1 H2O:1 - - - - - CH2(S) + CH3 [=] H + C2H4 - - - 1.200000E+10 - 0 - -570.000000 - - - CH2(S):1 CH3:1 - H:1 C2H4:1 - - - - - CH2(S) + CH4 [=] 2 CH3 - - - 1.600000E+10 - 0 - -570.000000 - - - CH2(S):1 CH4:1 - CH3:2 - - - - - CH2(S) + CO [=] CH2 + CO - - - 9.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO:1 - CH2:1 CO:1 - - - - - CH2(S) + CO2 [=] CH2 + CO2 - - - 7.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2:1 CO2:1 - - - - - CH2(S) + CO2 [=] CO + CH2O - - - 1.400000E+10 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2O:1 CO:1 - - - - - CH2(S) + C2H6 [=] CH3 + C2H5 - - - 4.000000E+10 - 0 - -550.000000 - - - CH2(S):1 C2H6:1 - C2H5:1 CH3:1 - - - - - CH3 + O2 [=] O + CH3O - - - 3.560000E+10 - 0 - 30480.000000 - - - CH3:1 O2:1 - CH3O:1 O:1 - - - - - CH3 + O2 [=] OH + CH2O - - - 2.310000E+09 - 0 - 20315.000000 - - - CH3:1 O2:1 - CH2O:1 OH:1 - - - - - CH3 + H2O2 [=] HO2 + CH4 - - - 2.450000E+01 - 2.4700000000000002 - 5180.000000 - - - CH3:1 H2O2:1 - CH4:1 HO2:1 - - - - - 2 CH3 (+ M) [=] C2H6 (+ M) - - - 6.770000E+13 - -1.1799999999999999 - 654.000000 - - - 3.400000E+35 - -7.0300000000000002 - 2762.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.619 73.2 1180 9999 - - CH3:2 - C2H6:1 - - - - - 2 CH3 [=] H + C2H5 - - - 6.840000E+09 - 0.10000000000000001 - 10600.000000 - - - CH3:2 - H:1 C2H5:1 - - - - - CH3 + HCO [=] CH4 + CO - - - 2.648000E+10 - 0 - 0.000000 - - - CH3:1 HCO:1 - CO:1 CH4:1 - - - - - CH3 + CH2O [=] HCO + CH4 - - - 3.320000E+00 - 2.8100000000000001 - 5860.000000 - - - CH2O:1 CH3:1 - CH4:1 HCO:1 - - - - - CH3 + CH3OH [=] CH2OH + CH4 - - - 3.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH2OH:1 CH4:1 - - - - - CH3 + CH3OH [=] CH3O + CH4 - - - 1.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH3O:1 CH4:1 - - - - - CH3 + C2H4 [=] C2H3 + CH4 - - - 2.270000E+02 - 2 - 9200.000000 - - - CH3:1 C2H4:1 - CH4:1 C2H3:1 - - - - - CH3 + C2H6 [=] C2H5 + CH4 - - - 6.140000E+03 - 1.74 - 10450.000000 - - - C2H6:1 CH3:1 - C2H5:1 CH4:1 - - - - - HCO + H2O [=] H + CO + H2O - - - 1.500000E+15 - -1 - 17000.000000 - - - H2O:1 HCO:1 - H:1 H2O:1 CO:1 - - - - - HCO + M [=] H + CO + M - - - 1.870000E+14 - -1 - 17000.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 - - HCO:1 - H:1 CO:1 - - - - - HCO + O2 [=] HO2 + CO - - - 1.345000E+10 - 0 - 400.000000 - - - HCO:1 O2:1 - CO:1 HO2:1 - - - - - CH2OH + O2 [=] HO2 + CH2O - - - 1.800000E+10 - 0 - 900.000000 - - - CH2OH:1 O2:1 - CH2O:1 HO2:1 - - - - - CH3O + O2 [=] HO2 + CH2O - - - 4.280000E-16 - 7.5999999999999996 - -3530.000000 - - - CH3O:1 O2:1 - CH2O:1 HO2:1 - - - - - C2H + O2 [=] HCO + CO - - - 1.000000E+10 - 0 - -755.000000 - - - C2H:1 O2:1 - CO:1 HCO:1 - - - - - C2H + H2 [=] H + C2H2 - - - 5.680000E+07 - 0.90000000000000002 - 1993.000000 - - - H2:1 C2H:1 - H:1 C2H2:1 - - - - - C2H3 + O2 [=] HCO + CH2O - - - 4.580000E+13 - -1.3899999999999999 - 1015.000000 - - - C2H3:1 O2:1 - CH2O:1 HCO:1 - - - - - C2H4 (+ M) [=] H2 + C2H2 (+ M) - - - 8.000000E+12 - 0.44 - 86770.000000 - - - 1.580000E+48 - -9.3000000000000007 - 97800.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7345 180 1035 5417 - - C2H4:1 - H2:1 C2H2:1 - - - - - C2H5 + O2 [=] HO2 + C2H4 - - - 8.400000E+08 - 0 - 3875.000000 - - - C2H5:1 O2:1 - C2H4:1 HO2:1 - - - - - HCCO + O2 [=] OH + 2 CO - - - 3.200000E+09 - 0 - 854.000000 - - - HCCO:1 O2:1 - CO:2 OH:1 - - - - - 2 HCCO [=] 2 CO + C2H2 - - - 1.000000E+10 - 0 - 0.000000 - - - HCCO:2 - CO:2 C2H2:1 - - - - - N + NO [=] N2 + O - - - 2.700000E+10 - 0 - 355.000000 - - - NO:1 N:1 - N2:1 O:1 - - - - - N + O2 [=] NO + O - - - 9.000000E+06 - 1 - 6500.000000 - - - O2:1 N:1 - O:1 NO:1 - - - - - N + OH [=] NO + H - - - 3.360000E+10 - 0 - 385.000000 - - - OH:1 N:1 - H:1 NO:1 - - - - - N2O + O [=] N2 + O2 - - - 1.400000E+09 - 0 - 10810.000000 - - - N2O:1 O:1 - N2:1 O2:1 - - - - - N2O + O [=] 2 NO - - - 2.900000E+10 - 0 - 23150.000000 - - - N2O:1 O:1 - NO:2 - - - - - N2O + H [=] N2 + OH - - - 3.870000E+11 - 0 - 18880.000000 - - - H:1 N2O:1 - N2:1 OH:1 - - - - - N2O + OH [=] N2 + HO2 - - - 2.000000E+09 - 0 - 21060.000000 - - - N2O:1 OH:1 - N2:1 HO2:1 - - - - - N2O (+ M) [=] N2 + O (+ M) - - - 7.910000E+10 - 0 - 56020.000000 - - - 6.370000E+11 - 0 - 56640.000000 - - AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - N2O:1 - N2:1 O:1 - - - - - HO2 + NO [=] NO2 + OH - - - 2.110000E+09 - 0 - -480.000000 - - - HO2:1 NO:1 - NO2:1 OH:1 - - - - - NO + O + M [=] NO2 + M - - - 1.060000E+14 - -1.4099999999999999 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - O:1 NO:1 - NO2:1 - - - - - NO2 + O [=] NO + O2 - - - 3.900000E+09 - 0 - -240.000000 - - - O:1 NO2:1 - O2:1 NO:1 - - - - - NO2 + H [=] NO + OH - - - 1.320000E+11 - 0 - 360.000000 - - - H:1 NO2:1 - OH:1 NO:1 - - - - - NH + O [=] NO + H - - - 4.000000E+10 - 0 - 0.000000 - - - NH:1 O:1 - H:1 NO:1 - - - - - NH + H [=] N + H2 - - - 3.200000E+10 - 0 - 330.000000 - - - NH:1 H:1 - H2:1 N:1 - - - - - NH + OH [=] HNO + H - - - 2.000000E+10 - 0 - 0.000000 - - - NH:1 OH:1 - H:1 HNO:1 - - - - - NH + OH [=] N + H2O - - - 2.000000E+06 - 1.2 - 0.000000 - - - NH:1 OH:1 - H2O:1 N:1 - - - - - NH + O2 [=] HNO + O - - - 4.610000E+02 - 2 - 6500.000000 - - - NH:1 O2:1 - O:1 HNO:1 - - - - - NH + O2 [=] NO + OH - - - 1.280000E+03 - 1.5 - 100.000000 - - - NH:1 O2:1 - OH:1 NO:1 - - - - - NH + N [=] N2 + H - - - 1.500000E+10 - 0 - 0.000000 - - - NH:1 N:1 - H:1 N2:1 - - - - - NH + H2O [=] HNO + H2 - - - 2.000000E+10 - 0 - 13850.000000 - - - NH:1 H2O:1 - H2:1 HNO:1 - - - - - NH + NO [=] N2 + OH - - - 2.160000E+10 - -0.23000000000000001 - 0.000000 - - - NH:1 NO:1 - N2:1 OH:1 - - - - - NH + NO [=] N2O + H - - - 3.650000E+11 - -0.45000000000000001 - 0.000000 - - - NH:1 NO:1 - H:1 N2O:1 - - - - - NH2 + O [=] OH + NH - - - 3.000000E+09 - 0 - 0.000000 - - - O:1 NH2:1 - NH:1 OH:1 - - - - - NH2 + O [=] H + HNO - - - 3.900000E+10 - 0 - 0.000000 - - - O:1 NH2:1 - H:1 HNO:1 - - - - - NH2 + H [=] NH + H2 - - - 4.000000E+10 - 0 - 3650.000000 - - - H:1 NH2:1 - NH:1 H2:1 - - - - - NH2 + OH [=] NH + H2O - - - 9.000000E+04 - 1.5 - -460.000000 - - - OH:1 NH2:1 - NH:1 H2O:1 - - - - - NNH [=] N2 + H - - - 3.300000E+08 - 0 - 0.000000 - - - NNH:1 - H:1 N2:1 - - - - - NNH + M [=] N2 + H + M - - - 1.300000E+11 - -0.11 - 4980.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NNH:1 - H:1 N2:1 - - - - - NNH + O2 [=] HO2 + N2 - - - 5.000000E+09 - 0 - 0.000000 - - - O2:1 NNH:1 - N2:1 HO2:1 - - - - - NNH + O [=] OH + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - N2:1 OH:1 - - - - - NNH + O [=] NH + NO - - - 7.000000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - NH:1 NO:1 - - - - - NNH + H [=] H2 + N2 - - - 5.000000E+10 - 0 - 0.000000 - - - H:1 NNH:1 - H2:1 N2:1 - - - - - NNH + OH [=] H2O + N2 - - - 2.000000E+10 - 0 - 0.000000 - - - OH:1 NNH:1 - H2O:1 N2:1 - - - - - NNH + CH3 [=] CH4 + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - CH3:1 NNH:1 - N2:1 CH4:1 - - - - - H + NO + M [=] HNO + M - - - 4.480000E+13 - -1.3200000000000001 - 740.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 NO:1 - HNO:1 - - - - - HNO + O [=] NO + OH - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 HNO:1 - OH:1 NO:1 - - - - - HNO + H [=] H2 + NO - - - 9.000000E+08 - 0.71999999999999997 - 660.000000 - - - H:1 HNO:1 - H2:1 NO:1 - - - - - HNO + OH [=] NO + H2O - - - 1.300000E+04 - 1.8999999999999999 - -950.000000 - - - HNO:1 OH:1 - H2O:1 NO:1 - - - - - HNO + O2 [=] HO2 + NO - - - 1.000000E+10 - 0 - 13000.000000 - - - O2:1 HNO:1 - HO2:1 NO:1 - - - - - CN + O [=] CO + N - - - 7.700000E+10 - 0 - 0.000000 - - - CN:1 O:1 - CO:1 N:1 - - - - - CN + OH [=] NCO + H - - - 4.000000E+10 - 0 - 0.000000 - - - CN:1 OH:1 - H:1 NCO:1 - - - - - CN + H2O [=] HCN + OH - - - 8.000000E+09 - 0 - 7460.000000 - - - H2O:1 CN:1 - HCN:1 OH:1 - - - - - CN + O2 [=] NCO + O - - - 6.140000E+09 - 0 - -440.000000 - - - CN:1 O2:1 - O:1 NCO:1 - - - - - CN + H2 [=] HCN + H - - - 2.950000E+02 - 2.4500000000000002 - 2240.000000 - - - H2:1 CN:1 - H:1 HCN:1 - - - - - NCO + O [=] NO + CO - - - 2.350000E+10 - 0 - 0.000000 - - - O:1 NCO:1 - CO:1 NO:1 - - - - - NCO + H [=] NH + CO - - - 5.400000E+10 - 0 - 0.000000 - - - H:1 NCO:1 - NH:1 CO:1 - - - - - NCO + OH [=] NO + H + CO - - - 2.500000E+09 - 0 - 0.000000 - - - OH:1 NCO:1 - H:1 CO:1 NO:1 - - - - - NCO + N [=] N2 + CO - - - 2.000000E+10 - 0 - 0.000000 - - - N:1 NCO:1 - N2:1 CO:1 - - - - - NCO + O2 [=] NO + CO2 - - - 2.000000E+09 - 0 - 20000.000000 - - - O2:1 NCO:1 - CO2:1 NO:1 - - - - - NCO + M [=] N + CO + M - - - 3.100000E+11 - 0 - 54050.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NCO:1 - CO:1 N:1 - - - - - NCO + NO [=] N2O + CO - - - 1.900000E+14 - -1.52 - 740.000000 - - - NO:1 NCO:1 - CO:1 N2O:1 - - - - - NCO + NO [=] N2 + CO2 - - - 3.800000E+15 - -2 - 800.000000 - - - NO:1 NCO:1 - N2:1 CO2:1 - - - - - HCN + M [=] H + CN + M - - - 1.040000E+26 - -3.2999999999999998 - 126600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HCN:1 - H:1 CN:1 - - - - - HCN + O [=] NCO + H - - - 2.030000E+01 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - H:1 NCO:1 - - - - - HCN + O [=] NH + CO - - - 5.070000E+00 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - NH:1 CO:1 - - - - - HCN + O [=] CN + OH - - - 3.910000E+06 - 1.5800000000000001 - 26600.000000 - - - HCN:1 O:1 - CN:1 OH:1 - - - - - HCN + OH [=] HOCN + H - - - 1.100000E+03 - 2.0299999999999998 - 13370.000000 - - - HCN:1 OH:1 - HOCN:1 H:1 - - - - - HCN + OH [=] HNCO + H - - - 4.400000E+00 - 2.2599999999999998 - 6400.000000 - - - HCN:1 OH:1 - HNCO:1 H:1 - - - - - HCN + OH [=] NH2 + CO - - - 1.600000E-01 - 2.5600000000000001 - 9000.000000 - - - HCN:1 OH:1 - CO:1 NH2:1 - - - - - H + HCN (+ M) [=] H2CN (+ M) - - - 3.300000E+10 - 0 - 0.000000 - - - 1.400000E+20 - -3.3999999999999999 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - H:1 HCN:1 - H2CN:1 - - - - - H2CN + N [=] N2 + CH2 - - - 6.000000E+10 - 0 - 400.000000 - - - H2CN:1 N:1 - N2:1 CH2:1 - - - - - C + N2 [=] CN + N - - - 6.300000E+10 - 0 - 46020.000000 - - - C:1 N2:1 - CN:1 N:1 - - - - - CH + N2 [=] HCN + N - - - 3.120000E+06 - 0.88 - 20130.000000 - - - N2:1 CH:1 - HCN:1 N:1 - - - - - CH + N2 (+ M) [=] HCNN (+ M) - - - 3.100000E+09 - 0.14999999999999999 - 0.000000 - - - 1.300000E+19 - -3.1600000000000001 - 740.000000 - - AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.667 235 2117 4536 - - N2:1 CH:1 - HCNN:1 - - - - - CH2 + N2 [=] HCN + NH - - - 1.000000E+10 - 0 - 74000.000000 - - - CH2:1 N2:1 - NH:1 HCN:1 - - - - - CH2(S) + N2 [=] NH + HCN - - - 1.000000E+08 - 0 - 65000.000000 - - - CH2(S):1 N2:1 - NH:1 HCN:1 - - - - - C + NO [=] CN + O - - - 1.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CN:1 O:1 - - - - - C + NO [=] CO + N - - - 2.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CO:1 N:1 - - - - - CH + NO [=] HCN + O - - - 4.100000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCN:1 O:1 - - - - - CH + NO [=] H + NCO - - - 1.620000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - H:1 NCO:1 - - - - - CH + NO [=] N + HCO - - - 2.460000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCO:1 N:1 - - - - - CH2 + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2:1 NO:1 - HNCO:1 H:1 - - - - - CH2 + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2:1 NO:1 - HCN:1 OH:1 - - - - - CH2 + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2:1 NO:1 - H:1 HCNO:1 - - - - - CH2(S) + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2(S):1 NO:1 - HNCO:1 H:1 - - - - - CH2(S) + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2(S):1 NO:1 - HCN:1 OH:1 - - - - - CH2(S) + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2(S):1 NO:1 - H:1 HCNO:1 - - - - - CH3 + NO [=] HCN + H2O - - - 9.600000E+10 - 0 - 28800.000000 - - - CH3:1 NO:1 - H2O:1 HCN:1 - - - - - CH3 + NO [=] H2CN + OH - - - 1.000000E+09 - 0 - 21750.000000 - - - CH3:1 NO:1 - H2CN:1 OH:1 - - - - - HCNN + O [=] CO + H + N2 - - - 2.200000E+10 - 0 - 0.000000 - - - O:1 HCNN:1 - H:1 N2:1 CO:1 - - - - - HCNN + O [=] HCN + NO - - - 2.000000E+09 - 0 - 0.000000 - - - O:1 HCNN:1 - HCN:1 NO:1 - - - - - HCNN + O2 [=] O + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - O2:1 HCNN:1 - N2:1 HCO:1 O:1 - - - - - HCNN + OH [=] H + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - OH:1 HCNN:1 - H:1 N2:1 HCO:1 - - - - - HCNN + H [=] CH2 + N2 - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCNN:1 - CH2:1 N2:1 - - - - - HNCO + O [=] NH + CO2 - - - 9.800000E+04 - 1.4099999999999999 - 8500.000000 - - - HNCO:1 O:1 - NH:1 CO2:1 - - - - - HNCO + O [=] HNO + CO - - - 1.500000E+05 - 1.5700000000000001 - 44000.000000 - - - HNCO:1 O:1 - CO:1 HNO:1 - - - - - HNCO + O [=] NCO + OH - - - 2.200000E+03 - 2.1099999999999999 - 11400.000000 - - - HNCO:1 O:1 - OH:1 NCO:1 - - - - - HNCO + H [=] NH2 + CO - - - 2.250000E+04 - 1.7 - 3800.000000 - - - HNCO:1 H:1 - CO:1 NH2:1 - - - - - HNCO + H [=] H2 + NCO - - - 1.050000E+02 - 2.5 - 13300.000000 - - - HNCO:1 H:1 - H2:1 NCO:1 - - - - - HNCO + OH [=] NCO + H2O - - - 3.300000E+04 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - H2O:1 NCO:1 - - - - - HNCO + OH [=] NH2 + CO2 - - - 3.300000E+03 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - CO2:1 NH2:1 - - - - - HNCO + M [=] NH + CO + M - - - 1.180000E+13 - 0 - 84720.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HNCO:1 - NH:1 CO:1 - - - - - HCNO + H [=] H + HNCO - - - 2.100000E+12 - -0.68999999999999995 - 2850.000000 - - - H:1 HCNO:1 - HNCO:1 H:1 - - - - - HCNO + H [=] OH + HCN - - - 2.700000E+08 - 0.17999999999999999 - 2120.000000 - - - H:1 HCNO:1 - HCN:1 OH:1 - - - - - HCNO + H [=] NH2 + CO - - - 1.700000E+11 - -0.75 - 2890.000000 - - - H:1 HCNO:1 - CO:1 NH2:1 - - - - - HOCN + H [=] H + HNCO - - - 2.000000E+04 - 2 - 2000.000000 - - - HOCN:1 H:1 - HNCO:1 H:1 - - - - - HCCO + NO [=] HCNO + CO - - - 9.000000E+09 - 0 - 0.000000 - - - HCCO:1 NO:1 - CO:1 HCNO:1 - - - - - CH3 + N [=] H2CN + H - - - 6.100000E+11 - -0.31 - 290.000000 - - - CH3:1 N:1 - H:1 H2CN:1 - - - - - CH3 + N [=] HCN + H2 - - - 3.700000E+09 - 0.14999999999999999 - -90.000000 - - - CH3:1 N:1 - H2:1 HCN:1 - - - - - NH3 + H [=] NH2 + H2 - - - 5.400000E+02 - 2.3999999999999999 - 9915.000000 - - - H:1 NH3:1 - H2:1 NH2:1 - - - - - NH3 + OH [=] NH2 + H2O - - - 5.000000E+04 - 1.6000000000000001 - 955.000000 - - - NH3:1 OH:1 - H2O:1 NH2:1 - - - - - NH3 + O [=] NH2 + OH - - - 9.400000E+03 - 1.9399999999999999 - 6460.000000 - - - O:1 NH3:1 - OH:1 NH2:1 - - - - - NH + CO2 [=] HNO + CO - - - 1.000000E+10 - 0 - 14350.000000 - - - NH:1 CO2:1 - CO:1 HNO:1 - - - - - CN + NO2 [=] NCO + NO - - - 6.160000E+12 - -0.752 - 345.000000 - - - CN:1 NO2:1 - NO:1 NCO:1 - - - - - NCO + NO2 [=] N2O + CO2 - - - 3.250000E+09 - 0 - -705.000000 - - - NO2:1 NCO:1 - CO2:1 N2O:1 - - - - - N + CO2 [=] NO + CO - - - 3.000000E+09 - 0 - 11300.000000 - - - CO2:1 N:1 - CO:1 NO:1 - - - - - O + CH3 =] H + H2 + CO - - - 3.370000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - H2:1 H:1 CO:1 - - - - - O + C2H4 [=] H + CH2CHO - - - 6.700000E+03 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - H:1 CH2CHO:1 - - - - - O + C2H5 [=] H + CH3CHO - - - 1.096000E+11 - 0 - 0.000000 - - - C2H5:1 O:1 - H:1 CH3CHO:1 - - - - - OH + HO2 [=] O2 + H2O - - - 5.000000E+12 - 0 - 17330.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + CH3 =] H2 + CH2O - - - 8.000000E+06 - 0.5 - -1755.000000 - - - CH3:1 OH:1 - H2:1 CH2O:1 - - - - - CH + H2 (+ M) [=] CH3 (+ M) - - - 1.970000E+09 - 0.42999999999999999 - -370.000000 - - - 4.820000E+19 - -2.7999999999999998 - 590.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.578 122 2535 9365 - - H2:1 CH:1 - CH3:1 - - - - - CH2 + O2 =] 2 H + CO2 - - - 5.800000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:2 CO2:1 - - - - - CH2 + O2 [=] O + CH2O - - - 2.400000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - CH2O:1 O:1 - - - - - CH2 + CH2 =] 2 H + C2H2 - - - 2.000000E+11 - 0 - 10989.000000 - - - CH2:2 - H:2 C2H2:1 - - - - - CH2(S) + H2O =] H2 + CH2O - - - 6.820000E+07 - 0.25 - -935.000000 - - - CH2(S):1 H2O:1 - H2:1 CH2O:1 - - - - - C2H3 + O2 [=] O + CH2CHO - - - 3.030000E+08 - 0.28999999999999998 - 11.000000 - - - C2H3:1 O2:1 - CH2CHO:1 O:1 - - - - - C2H3 + O2 [=] HO2 + C2H2 - - - 1.337000E+03 - 1.6100000000000001 - -384.000000 - - - C2H3:1 O2:1 - HO2:1 C2H2:1 - - - - - O + CH3CHO [=] OH + CH2CHO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH2CHO:1 OH:1 - - - - - O + CH3CHO =] OH + CH3 + CO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH3:1 CO:1 OH:1 - - - - - O2 + CH3CHO =] HO2 + CH3 + CO - - - 3.010000E+10 - 0 - 39150.000000 - - - CH3CHO:1 O2:1 - CO:1 CH3:1 HO2:1 - - - - - H + CH3CHO [=] CH2CHO + H2 - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH2CHO:1 - - - - - H + CH3CHO =] CH3 + H2 + CO - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH3:1 CO:1 - - - - - OH + CH3CHO =] CH3 + H2O + CO - - - 2.343000E+07 - 0.72999999999999998 - -1113.000000 - - - CH3CHO:1 OH:1 - H2O:1 CH3:1 CO:1 - - - - - HO2 + CH3CHO =] CH3 + H2O2 + CO - - - 3.010000E+09 - 0 - 11923.000000 - - - CH3CHO:1 HO2:1 - CH3:1 CO:1 H2O2:1 - - - - - CH3 + CH3CHO =] CH3 + CH4 + CO - - - 2.720000E+03 - 1.77 - 5920.000000 - - - CH3CHO:1 CH3:1 - CO:1 CH3:1 CH4:1 - - - - - H + CH2CO (+ M) [=] CH2CHO (+ M) - - - 4.865000E+08 - 0.42199999999999999 - -1755.000000 - - - 1.012000E+36 - -7.6299999999999999 - 3854.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.465 201 1773 5333 - - H:1 CH2CO:1 - CH2CHO:1 - - - - - O + CH2CHO =] H + CH2 + CO2 - - - 1.500000E+11 - 0 - 0.000000 - - - CH2CHO:1 O:1 - H:1 CH2:1 CO2:1 - - - - - O2 + CH2CHO =] OH + CO + CH2O - - - 1.810000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - CH2O:1 CO:1 OH:1 - - - - - O2 + CH2CHO =] OH + 2 HCO - - - 2.350000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - HCO:2 OH:1 - - - - - H + CH2CHO [=] CH3 + HCO - - - 2.200000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - CH3:1 HCO:1 - - - - - H + CH2CHO [=] CH2CO + H2 - - - 1.100000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - H2:1 CH2CO:1 - - - - - OH + CH2CHO [=] H2O + CH2CO - - - 1.200000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - H2O:1 CH2CO:1 - - - - - OH + CH2CHO [=] HCO + CH2OH - - - 3.010000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - CH2OH:1 HCO:1 - - - - - CH3 + C2H5 (+ M) [=] C3H8 (+ M) - - - 9.430000E+09 - 0 - 0.000000 - - - 2.710000E+68 - -16.82 - 13065.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1527 291 2742 7748 - - C2H5:1 CH3:1 - C3H8:1 - - - - - O + C3H8 [=] OH + C3H7 - - - 1.930000E+02 - 2.6800000000000002 - 3716.000000 - - - C3H8:1 O:1 - C3H7:1 OH:1 - - - - - H + C3H8 [=] C3H7 + H2 - - - 1.320000E+03 - 2.54 - 6756.000000 - - - H:1 C3H8:1 - H2:1 C3H7:1 - - - - - OH + C3H8 [=] C3H7 + H2O - - - 3.160000E+04 - 1.8 - 934.000000 - - - C3H8:1 OH:1 - C3H7:1 H2O:1 - - - - - C3H7 + H2O2 [=] HO2 + C3H8 - - - 3.780000E-01 - 2.7200000000000002 - 1500.000000 - - - C3H7:1 H2O2:1 - HO2:1 C3H8:1 - - - - - CH3 + C3H8 [=] C3H7 + CH4 - - - 9.030000E-04 - 3.6499999999999999 - 7154.000000 - - - CH3:1 C3H8:1 - C3H7:1 CH4:1 - - - - - CH3 + C2H4 (+ M) [=] C3H7 (+ M) - - - 2.550000E+03 - 1.6000000000000001 - 5700.000000 - - - 3.000000E+57 - -14.6 - 18170.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1894 277 8748 7891 - - CH3:1 C2H4:1 - C3H7:1 - - - - - O + C3H7 [=] C2H5 + CH2O - - - 9.640000E+10 - 0 - 0.000000 - - - C3H7:1 O:1 - CH2O:1 C2H5:1 - - - - - H + C3H7 (+ M) [=] C3H8 (+ M) - - - 3.613000E+10 - 0 - 0.000000 - - - 4.420000E+55 - -13.545 - 11357.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.315 369 3285 6667 - - H:1 C3H7:1 - C3H8:1 - - - - - H + C3H7 [=] CH3 + C2H5 - - - 4.060000E+03 - 2.1899999999999999 - 890.000000 - - - H:1 C3H7:1 - C2H5:1 CH3:1 - - - - - OH + C3H7 [=] C2H5 + CH2OH - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 OH:1 - CH2OH:1 C2H5:1 - - - - - HO2 + C3H7 [=] O2 + C3H8 - - - 2.550000E+07 - 0.255 - -943.000000 - - - C3H7:1 HO2:1 - O2:1 C3H8:1 - - - - - HO2 + C3H7 =] OH + C2H5 + CH2O - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 HO2:1 - CH2O:1 C2H5:1 OH:1 - - - - - CH3 + C3H7 [=] 2 C2H5 - - - 1.927000E+10 - -0.32000000000000001 - 0.000000 - - - C3H7:1 CH3:1 - C2H5:2 - - - diff --git a/test_problems/ChemEquil_gri_pairs/gri30.xml b/test_problems/ChemEquil_gri_pairs/gri30.xml deleted file mode 100644 index 6acba138c..000000000 --- a/test_problems/ChemEquil_gri_pairs/gri30.xml +++ /dev/null @@ -1,6173 +0,0 @@ - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - - - - H:2 - TPIS78 - - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 - - - - - - H:1 - L 7/88 - - - - 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 - - - - 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 - - - - atom - 145.000 - 2.050 - 0.000 - 0.000 - 0.000 - - - - - - O:1 - L 1/90 - - - - 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 - - - - 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, - 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 - - - - atom - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - O:2 - TPIS89 - - - - 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 - - - - 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 - - - - linear - 107.400 - 3.460 - 0.000 - 1.600 - 3.800 - - - - - - H:1 O:1 - RUS 78 - - - - 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 - - - - 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, - 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 O:1 - L 8/89 - - - - 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 - - - - 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 - - - - nonlinear - 572.400 - 2.600 - 1.840 - 0.000 - 4.000 - - - - - - H:1 O:2 - L 5/89 - - - - 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 - - - - 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, - -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 1.000 - - - - - - H:2 O:2 - L 7/88 - - - - 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, - 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 - - - - 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, - -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 3.800 - - - - - - C:1 - L11/88 - - - - 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, - 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 - - - - 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, - -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 C:1 - TPIS79 - - - - 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, - -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 - - - - 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, - 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, - 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 - - - - 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, - -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, - 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 - - - - 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, - -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:3 C:1 - L11/89 - - - - 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, - 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 - - - - 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, - 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-4.720841640E-14, -4.875916600E+04, 2.271638060E+00 - - - - linear - 244.000 - 3.760 - 0.000 - 2.650 - 2.100 - - - - - - H:1 C:1 O:1 - L12/89 - - - - 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, - 4.337688650E-12, 3.839564960E+03, 3.394372430E+00 - - - - 2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10, - -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 O:1 - L 8/88 - - - - 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, - 1.317726520E-11, -1.430895670E+04, 6.028129000E-01 - - - - 1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09, - -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - GUNL93 - - - - 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, - 4.369672780E-12, -3.193913670E+03, 5.473022430E+00 - - - - 3.692665690E+00, 8.645767970E-03, -3.751011200E-06, 7.872346360E-10, - -6.485542010E-14, -3.242506270E+03, 5.810432150E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - 121686 - - - - 2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09, - 2.075610000E-12, 9.786011000E+02, 1.315217700E+01 - - - - 3.770799000E+00, 7.871497000E-03, -2.656384000E-06, 3.944431000E-10, - -2.112616000E-14, 1.278325200E+02, 2.929575000E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:4 C:1 O:1 - L 8/88 - - - - 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, - 2.613526980E-11, -2.564276560E+04, -1.504098230E+00 - - - - 1.789707910E+00, 1.409382920E-02, -6.365008350E-06, 1.381710850E-09, - -1.170602200E-13, -2.537487470E+04, 1.450236230E+01 - - - - nonlinear - 481.800 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:2 - L 1/91 - - - - 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, - -1.093315110E-11, 6.683939320E+04, 6.222964380E+00 - - - - 3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10, - -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:2 C:2 - L 1/91 - - - - 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, - -8.500729740E-12, 2.642898070E+04, 1.393970510E+01 - - - - 4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10, - -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:3 C:2 - L 2/92 - - - - 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, - 1.471508730E-11, 3.485984680E+04, 8.510540250E+00 - - - - 3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09, - -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 - - - - nonlinear - 209.000 - 4.100 - 0.000 - 0.000 - 1.000 - - - - - - H:4 C:2 - L 1/91 - - - - 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, - 2.698843730E-11, 5.089775930E+03, 4.097330960E+00 - - - - 2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09, - -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 - - - - nonlinear - 280.800 - 3.970 - 0.000 - 0.000 - 1.500 - - - - - - H:5 C:2 - L12/92 - - - - 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, - 2.305090040E-11, 1.284162650E+04, 4.707209240E+00 - - - - 1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09, - -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:6 C:2 - L 8/88 - - - - 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, - 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 - - - - 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, - -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:1 C:2 O:1 - SRIC91 - - - - 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, - -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 - - - - 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, - -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:2 O:1 - L 5/90 - - - - 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, - -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 - - - - 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, - -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:2 C:2 O:1 - SRI91 - - - - 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, - -1.401459400E-11, 8.031614300E+03, 1.387431900E+01 - - - - 5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10, - -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - N:1 - L 6/88 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, 5.610463700E+04, 4.193908700E+00 - - - - 2.415942900E+00, 1.748906500E-04, -1.190236900E-07, 3.022624500E-11, - -2.036098200E-15, 5.613377300E+04, 4.649609600E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 N:1 - And94 - - - - 3.492908500E+00, 3.117919800E-04, -1.489048400E-06, 2.481644200E-09, - -1.035696700E-12, 4.188062900E+04, 1.848327800E+00 - - - - 2.783692800E+00, 1.329843000E-03, -4.247804700E-07, 7.834850100E-11, - -5.504447000E-15, 4.212084800E+04, 5.740779900E+00 - - - - linear - 80.000 - 2.650 - 0.000 - 0.000 - 4.000 - - - - - - H:2 N:1 - And89 - - - - 4.204002900E+00, -2.106138500E-03, 7.106834800E-06, -5.611519700E-09, - 1.644071700E-12, 2.188591000E+04, -1.418424800E-01 - - - - 2.834742100E+00, 3.207308200E-03, -9.339080400E-07, 1.370295300E-10, - -7.920614400E-15, 2.217195700E+04, 6.520416300E+00 - - - - nonlinear - 80.000 - 2.650 - 0.000 - 2.260 - 4.000 - - - - - - H:3 N:1 - J 6/77 - - - - 4.286027400E+00, -4.660523000E-03, 2.171851300E-05, -2.280888700E-08, - 8.263804600E-12, -6.741728500E+03, -6.253727700E-01 - - - - 2.634452100E+00, 5.666256000E-03, -1.727867600E-06, 2.386716100E-10, - -1.257878600E-14, -6.544695800E+03, 6.566292800E+00 - - - - nonlinear - 481.000 - 2.920 - 1.470 - 0.000 - 10.000 - - - - - - H:1 N:2 - T07/93 - - - - 4.344692700E+00, -4.849707200E-03, 2.005945900E-05, -2.172646400E-08, - 7.946953900E-12, 2.879197300E+04, 2.977941000E+00 - - - - 3.766754400E+00, 2.891508200E-03, -1.041662000E-06, 1.684259400E-10, - -1.009189600E-14, 2.865069700E+04, 4.470506700E+00 - - - - nonlinear - 71.400 - 3.800 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:1 - RUS 78 - - - - 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, - 2.803577000E-12, 9.844623000E+03, 2.280846400E+00 - - - - 3.260605600E+00, 1.191104300E-03, -4.291704800E-07, 6.945766900E-11, - -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - O:2 N:1 - L 7/88 - - - - 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, - 7.835056400E-12, 2.896617900E+03, 6.311991700E+00 - - - - 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, - -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 - - - - nonlinear - 200.000 - 3.500 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:2 - L 7/88 - - - - 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, - -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 - - - - 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, - -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 O:1 N:1 - And93 - - - - 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, - 5.545457300E-12, 1.154829700E+04, 1.749841700E+00 - - - - 2.979250900E+00, 3.494405900E-03, -7.854977800E-07, 5.747959400E-11, - -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 - - - - nonlinear - 116.700 - 3.490 - 0.000 - 0.000 - 1.000 - - - - - - C:1 N:1 - HBH92 - - - - 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, - -4.643035600E-13, 5.170834000E+04, 3.980499500E+00 - - - - 3.745980500E+00, 4.345077500E-05, 2.970598400E-07, -6.865180600E-11, - 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-2.009468600E-14, 5.345294100E+04, -5.103050200E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, - -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 - - - - 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, - -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, - 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 - - - - 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, - -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, - 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 - - - - 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, - -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - C:1 O:1 N:1 - EA 93 - - - - 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, - -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 - - - - 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, - -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - N:2 - 121286 - - - - 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 - - - - 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, - -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - Ar:1 - 120186 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - atom - 136.500 - 3.330 - 0.000 - 0.000 - 0.000 - - - - - - H:7 C:3 - L 9/84 - - - - 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, - 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 - - - - 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, - -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:8 C:3 - L 4/85 - - - - 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, - 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 - - - - 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, - -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:3 C:2 O:1 - SAND86 - - - - 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, - 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 - - - - 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, - -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:4 C:2 O:1 - L 8/88 - - - - 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, - 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 - - - - 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, - -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - - - 2 O + M [=] O2 + M - - - 1.200000E+11 - -1 - 0.000000 - - AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 - - O:2 - O2:1 - - - - - O + H + M [=] OH + M - - - 5.000000E+11 - -1 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 O:1 - OH:1 - - - - - O + H2 [=] H + OH - - - 3.870000E+01 - 2.7000000000000002 - 6260.000000 - - - H2:1 O:1 - H:1 OH:1 - - - - - O + HO2 [=] OH + O2 - - - 2.000000E+10 - 0 - 0.000000 - - - HO2:1 O:1 - O2:1 OH:1 - - - - - O + H2O2 [=] OH + HO2 - - - 9.630000E+03 - 2 - 4000.000000 - - - H2O2:1 O:1 - HO2:1 OH:1 - - - - - O + CH [=] H + CO - - - 5.700000E+10 - 0 - 0.000000 - - - CH:1 O:1 - H:1 CO:1 - - - - - O + CH2 [=] H + HCO - - - 8.000000E+10 - 0 - 0.000000 - - - CH2:1 O:1 - H:1 HCO:1 - - - - - O + CH2(S) [=] H2 + CO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H2:1 CO:1 - - - - - O + CH2(S) [=] H + HCO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H:1 HCO:1 - - - - - O + CH3 [=] H + CH2O - - - 5.060000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - CH2O:1 H:1 - - - - - O + CH4 [=] OH + CH3 - - - 1.020000E+06 - 1.5 - 8600.000000 - - - CH4:1 O:1 - CH3:1 OH:1 - - - - - O + CO (+ M) [=] CO2 (+ M) - - - 1.800000E+07 - 0 - 2385.000000 - - - 6.020000E+08 - 0 - 3000.000000 - - AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 - - - CO:1 O:1 - CO2:1 - - - - - O + HCO [=] OH + CO - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - CO:1 OH:1 - - - - - O + HCO [=] H + CO2 - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - H:1 CO2:1 - - - - - O + CH2O [=] OH + HCO - - - 3.900000E+10 - 0 - 3540.000000 - - - CH2O:1 O:1 - HCO:1 OH:1 - - - - - O + CH2OH [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH2OH:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3O [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH3O:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3OH [=] OH + CH2OH - - - 3.880000E+02 - 2.5 - 3100.000000 - - - CH3OH:1 O:1 - CH2OH:1 OH:1 - - - - - O + CH3OH [=] OH + CH3O - - - 1.300000E+02 - 2.5 - 5000.000000 - - - CH3OH:1 O:1 - CH3O:1 OH:1 - - - - - O + C2H [=] CH + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C2H:1 O:1 - CH:1 CO:1 - - - - - O + C2H2 [=] H + HCCO - - - 1.350000E+04 - 2 - 1900.000000 - - - C2H2:1 O:1 - H:1 HCCO:1 - - - - - O + C2H2 [=] OH + C2H - - - 4.600000E+16 - -1.4099999999999999 - 28950.000000 - - - C2H2:1 O:1 - C2H:1 OH:1 - - - - - O + C2H2 [=] CO + CH2 - - - 6.940000E+03 - 2 - 1900.000000 - - - C2H2:1 O:1 - CH2:1 CO:1 - - - - - O + C2H3 [=] H + CH2CO - - - 3.000000E+10 - 0 - 0.000000 - - - C2H3:1 O:1 - H:1 CH2CO:1 - - - - - O + C2H4 [=] CH3 + HCO - - - 1.250000E+04 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - CH3:1 HCO:1 - - - - - O + C2H5 [=] CH3 + CH2O - - - 2.240000E+10 - 0 - 0.000000 - - - C2H5:1 O:1 - CH2O:1 CH3:1 - - - - - O + C2H6 [=] OH + C2H5 - - - 8.980000E+04 - 1.9199999999999999 - 5690.000000 - - - C2H6:1 O:1 - C2H5:1 OH:1 - - - - - O + HCCO [=] H + 2 CO - - - 1.000000E+11 - 0 - 0.000000 - - - HCCO:1 O:1 - H:1 CO:2 - - - - - O + CH2CO [=] OH + HCCO - - - 1.000000E+10 - 0 - 8000.000000 - - - CH2CO:1 O:1 - HCCO:1 OH:1 - - - - - O + CH2CO [=] CH2 + CO2 - - - 1.750000E+09 - 0 - 1350.000000 - - - CH2CO:1 O:1 - CH2:1 CO2:1 - - - - - O2 + CO [=] O + CO2 - - - 2.500000E+09 - 0 - 47800.000000 - - - CO:1 O2:1 - CO2:1 O:1 - - - - - O2 + CH2O [=] HO2 + HCO - - - 1.000000E+11 - 0 - 40000.000000 - - - CH2O:1 O2:1 - HO2:1 HCO:1 - - - - - H + O2 + M [=] HO2 + M - - - 2.800000E+12 - -0.85999999999999999 - 0.000000 - - AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 - - H:1 O2:1 - HO2:1 - - - - - H + 2 O2 [=] HO2 + O2 - - - 2.080000E+13 - -1.24 - 0.000000 - - - H:1 O2:2 - HO2:1 O2:1 - - - - - H + O2 + H2O [=] HO2 + H2O - - - 1.126000E+13 - -0.76000000000000001 - 0.000000 - - - H:1 H2O:1 O2:1 - H2O:1 HO2:1 - - - - - H + O2 + N2 [=] HO2 + N2 - - - 2.600000E+13 - -1.24 - 0.000000 - - - H:1 N2:1 O2:1 - N2:1 HO2:1 - - - - - H + O2 + AR [=] HO2 + AR - - - 7.000000E+11 - -0.80000000000000004 - 0.000000 - - - H:1 AR:1 O2:1 - AR:1 HO2:1 - - - - - H + O2 [=] O + OH - - - 2.650000E+13 - -0.67069999999999996 - 17041.000000 - - - H:1 O2:1 - O:1 OH:1 - - - - - 2 H + M [=] H2 + M - - - 1.000000E+12 - -1 - 0.000000 - - AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 - - H:2 - H2:1 - - - - - 2 H + H2 [=] 2 H2 - - - 9.000000E+10 - -0.59999999999999998 - 0.000000 - - - H2:1 H:2 - H2:2 - - - - - 2 H + H2O [=] H2 + H2O - - - 6.000000E+13 - -1.25 - 0.000000 - - - H:2 H2O:1 - H2:1 H2O:1 - - - - - 2 H + CO2 [=] H2 + CO2 - - - 5.500000E+14 - -2 - 0.000000 - - - H:2 CO2:1 - H2:1 CO2:1 - - - - - H + OH + M [=] H2O + M - - - 2.200000E+16 - -2 - 0.000000 - - AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 - - H:1 OH:1 - H2O:1 - - - - - H + HO2 [=] O + H2O - - - 3.970000E+09 - 0 - 671.000000 - - - H:1 HO2:1 - H2O:1 O:1 - - - - - H + HO2 [=] O2 + H2 - - - 4.480000E+10 - 0 - 1068.000000 - - - H:1 HO2:1 - H2:1 O2:1 - - - - - H + HO2 [=] 2 OH - - - 8.400000E+10 - 0 - 635.000000 - - - H:1 HO2:1 - OH:2 - - - - - H + H2O2 [=] HO2 + H2 - - - 1.210000E+04 - 2 - 5200.000000 - - - H:1 H2O2:1 - H2:1 HO2:1 - - - - - H + H2O2 [=] OH + H2O - - - 1.000000E+10 - 0 - 3600.000000 - - - H:1 H2O2:1 - H2O:1 OH:1 - - - - - H + CH [=] C + H2 - - - 1.650000E+11 - 0 - 0.000000 - - - H:1 CH:1 - H2:1 C:1 - - - - - H + CH2 (+ M) [=] CH3 (+ M) - - - 6.000000E+11 - 0 - 0.000000 - - - 1.040000E+20 - -2.7599999999999998 - 1600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.562 91 5836 8552 - - H:1 CH2:1 - CH3:1 - - - - - H + CH2(S) [=] CH + H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 CH2(S):1 - H2:1 CH:1 - - - - - H + CH3 (+ M) [=] CH4 (+ M) - - - 1.390000E+13 - -0.53400000000000003 - 536.000000 - - - 2.620000E+27 - -4.7599999999999998 - 2440.000000 - - AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 - 0.783 74 2941 6964 - - H:1 CH3:1 - CH4:1 - - - - - H + CH4 [=] CH3 + H2 - - - 6.600000E+05 - 1.6200000000000001 - 10840.000000 - - - H:1 CH4:1 - H2:1 CH3:1 - - - - - H + HCO (+ M) [=] CH2O (+ M) - - - 1.090000E+09 - 0.47999999999999998 - -260.000000 - - - 2.470000E+18 - -2.5699999999999998 - 425.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7824 271 2755 6570 - - H:1 HCO:1 - CH2O:1 - - - - - H + HCO [=] H2 + CO - - - 7.340000E+10 - 0 - 0.000000 - - - H:1 HCO:1 - H2:1 CO:1 - - - - - H + CH2O (+ M) [=] CH2OH (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 3600.000000 - - - 1.270000E+26 - -4.8200000000000003 - 6530.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7187 103 1291 4160 - - CH2O:1 H:1 - CH2OH:1 - - - - - H + CH2O (+ M) [=] CH3O (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 2600.000000 - - - 2.200000E+24 - -4.7999999999999998 - 5560.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.758 94 1555 4200 - - CH2O:1 H:1 - CH3O:1 - - - - - H + CH2O [=] HCO + H2 - - - 5.740000E+04 - 1.8999999999999999 - 2742.000000 - - - CH2O:1 H:1 - H2:1 HCO:1 - - - - - H + CH2OH (+ M) [=] CH3OH (+ M) - - - 1.055000E+09 - 0.5 - 86.000000 - - - 4.360000E+25 - -4.6500000000000004 - 5080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6 100 90000 10000 - - H:1 CH2OH:1 - CH3OH:1 - - - - - H + CH2OH [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH2OH:1 - H2:1 CH2O:1 - - - - - H + CH2OH [=] OH + CH3 - - - 1.650000E+08 - 0.65000000000000002 - -284.000000 - - - H:1 CH2OH:1 - CH3:1 OH:1 - - - - - H + CH2OH [=] CH2(S) + H2O - - - 3.280000E+10 - -0.089999999999999997 - 610.000000 - - - H:1 CH2OH:1 - CH2(S):1 H2O:1 - - - - - H + CH3O (+ M) [=] CH3OH (+ M) - - - 2.430000E+09 - 0.51500000000000001 - 50.000000 - - - 4.660000E+35 - -7.4400000000000004 - 14080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7 100 90000 10000 - - H:1 CH3O:1 - CH3OH:1 - - - - - H + CH3O [=] H + CH2OH - - - 4.150000E+04 - 1.6299999999999999 - 1924.000000 - - - H:1 CH3O:1 - H:1 CH2OH:1 - - - - - H + CH3O [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH3O:1 - H2:1 CH2O:1 - - - - - H + CH3O [=] OH + CH3 - - - 1.500000E+09 - 0.5 - -110.000000 - - - H:1 CH3O:1 - CH3:1 OH:1 - - - - - H + CH3O [=] CH2(S) + H2O - - - 2.620000E+11 - -0.23000000000000001 - 1070.000000 - - - H:1 CH3O:1 - CH2(S):1 H2O:1 - - - - - H + CH3OH [=] CH2OH + H2 - - - 1.700000E+04 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH2OH:1 - - - - - H + CH3OH [=] CH3O + H2 - - - 4.200000E+03 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH3O:1 - - - - - H + C2H (+ M) [=] C2H2 (+ M) - - - 1.000000E+14 - -1 - 0.000000 - - - 3.750000E+27 - -4.7999999999999998 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6464 132 1315 5566 - - H:1 C2H:1 - C2H2:1 - - - - - H + C2H2 (+ M) [=] C2H3 (+ M) - - - 5.600000E+09 - 0 - 2400.000000 - - - 3.800000E+34 - -7.2699999999999996 - 7220.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7507 98.5 1302 4167 - - H:1 C2H2:1 - C2H3:1 - - - - - H + C2H3 (+ M) [=] C2H4 (+ M) - - - 6.080000E+09 - 0.27000000000000002 - 280.000000 - - - 1.400000E+24 - -3.8599999999999999 - 3320.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.782 207.5 2663 6095 - - H:1 C2H3:1 - C2H4:1 - - - - - H + C2H3 [=] H2 + C2H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 C2H3:1 - H2:1 C2H2:1 - - - - - H + C2H4 (+ M) [=] C2H5 (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 1820.000000 - - - 6.000000E+35 - -7.6200000000000001 - 6970.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.9753 210 984 4374 - - H:1 C2H4:1 - C2H5:1 - - - - - H + C2H4 [=] C2H3 + H2 - - - 1.325000E+03 - 2.5299999999999998 - 12240.000000 - - - H:1 C2H4:1 - H2:1 C2H3:1 - - - - - H + C2H5 (+ M) [=] C2H6 (+ M) - - - 5.210000E+14 - -0.98999999999999999 - 1580.000000 - - - 1.990000E+35 - -7.0800000000000001 - 6685.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.8422 125 2219 6882 - - H:1 C2H5:1 - C2H6:1 - - - - - H + C2H5 [=] H2 + C2H4 - - - 2.000000E+09 - 0 - 0.000000 - - - H:1 C2H5:1 - H2:1 C2H4:1 - - - - - H + C2H6 [=] C2H5 + H2 - - - 1.150000E+05 - 1.8999999999999999 - 7530.000000 - - - H:1 C2H6:1 - H2:1 C2H5:1 - - - - - H + HCCO [=] CH2(S) + CO - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCCO:1 - CH2(S):1 CO:1 - - - - - H + CH2CO [=] HCCO + H2 - - - 5.000000E+10 - 0 - 8000.000000 - - - H:1 CH2CO:1 - H2:1 HCCO:1 - - - - - H + CH2CO [=] CH3 + CO - - - 1.130000E+10 - 0 - 3428.000000 - - - H:1 CH2CO:1 - CH3:1 CO:1 - - - - - H + HCCOH [=] H + CH2CO - - - 1.000000E+10 - 0 - 0.000000 - - - H:1 HCCOH:1 - H:1 CH2CO:1 - - - - - H2 + CO (+ M) [=] CH2O (+ M) - - - 4.300000E+04 - 1.5 - 79600.000000 - - - 5.070000E+21 - -3.4199999999999999 - 84350.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.932 197 1540 10300 - - H2:1 CO:1 - CH2O:1 - - - - - OH + H2 [=] H + H2O - - - 2.160000E+05 - 1.51 - 3430.000000 - - - H2:1 OH:1 - H:1 H2O:1 - - - - - 2 OH (+ M) [=] H2O2 (+ M) - - - 7.400000E+10 - -0.37 - 0.000000 - - - 2.300000E+12 - -0.90000000000000002 - -1700.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7346 94 1756 5182 - - OH:2 - H2O2:1 - - - - - 2 OH [=] O + H2O - - - 3.570000E+01 - 2.3999999999999999 - -2110.000000 - - - OH:2 - H2O:1 O:1 - - - - - OH + HO2 [=] O2 + H2O - - - 1.450000E+10 - 0 - -500.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 2.000000E+09 - 0 - 427.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 1.700000E+15 - 0 - 29410.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + C [=] H + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 OH:1 - H:1 CO:1 - - - - - OH + CH [=] H + HCO - - - 3.000000E+10 - 0 - 0.000000 - - - CH:1 OH:1 - H:1 HCO:1 - - - - - OH + CH2 [=] H + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 OH:1 - CH2O:1 H:1 - - - - - OH + CH2 [=] CH + H2O - - - 1.130000E+04 - 2 - 3000.000000 - - - CH2:1 OH:1 - H2O:1 CH:1 - - - - - OH + CH2(S) [=] H + CH2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 OH:1 - CH2O:1 H:1 - - - - - OH + CH3 (+ M) [=] CH3OH (+ M) - - - 2.790000E+15 - -1.4299999999999999 - 1330.000000 - - - 4.000000E+30 - -5.9199999999999999 - 3140.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.412 195 5900 6394 - - CH3:1 OH:1 - CH3OH:1 - - - - - OH + CH3 [=] CH2 + H2O - - - 5.600000E+04 - 1.6000000000000001 - 5420.000000 - - - CH3:1 OH:1 - CH2:1 H2O:1 - - - - - OH + CH3 [=] CH2(S) + H2O - - - 6.440000E+14 - -1.3400000000000001 - 1417.000000 - - - CH3:1 OH:1 - CH2(S):1 H2O:1 - - - - - OH + CH4 [=] CH3 + H2O - - - 1.000000E+05 - 1.6000000000000001 - 3120.000000 - - - CH4:1 OH:1 - H2O:1 CH3:1 - - - - - OH + CO [=] H + CO2 - - - 4.760000E+04 - 1.228 - 70.000000 - - - CO:1 OH:1 - H:1 CO2:1 - - - - - OH + HCO [=] H2O + CO - - - 5.000000E+10 - 0 - 0.000000 - - - HCO:1 OH:1 - H2O:1 CO:1 - - - - - OH + CH2O [=] HCO + H2O - - - 3.430000E+06 - 1.1799999999999999 - -447.000000 - - - CH2O:1 OH:1 - H2O:1 HCO:1 - - - - - OH + CH2OH [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH2OH:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3O [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH3O:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3OH [=] CH2OH + H2O - - - 1.440000E+03 - 2 - -840.000000 - - - CH3OH:1 OH:1 - CH2OH:1 H2O:1 - - - - - OH + CH3OH [=] CH3O + H2O - - - 6.300000E+03 - 2 - 1500.000000 - - - CH3OH:1 OH:1 - H2O:1 CH3O:1 - - - - - OH + C2H [=] H + HCCO - - - 2.000000E+10 - 0 - 0.000000 - - - C2H:1 OH:1 - H:1 HCCO:1 - - - - - OH + C2H2 [=] H + CH2CO - - - 2.180000E-07 - 4.5 - -1000.000000 - - - C2H2:1 OH:1 - H:1 CH2CO:1 - - - - - OH + C2H2 [=] H + HCCOH - - - 5.040000E+02 - 2.2999999999999998 - 13500.000000 - - - C2H2:1 OH:1 - H:1 HCCOH:1 - - - - - OH + C2H2 [=] C2H + H2O - - - 3.370000E+04 - 2 - 14000.000000 - - - C2H2:1 OH:1 - C2H:1 H2O:1 - - - - - OH + C2H2 [=] CH3 + CO - - - 4.830000E-07 - 4 - -2000.000000 - - - C2H2:1 OH:1 - CH3:1 CO:1 - - - - - OH + C2H3 [=] H2O + C2H2 - - - 5.000000E+09 - 0 - 0.000000 - - - C2H3:1 OH:1 - H2O:1 C2H2:1 - - - - - OH + C2H4 [=] C2H3 + H2O - - - 3.600000E+03 - 2 - 2500.000000 - - - C2H4:1 OH:1 - H2O:1 C2H3:1 - - - - - OH + C2H6 [=] C2H5 + H2O - - - 3.540000E+03 - 2.1200000000000001 - 870.000000 - - - C2H6:1 OH:1 - C2H5:1 H2O:1 - - - - - OH + CH2CO [=] HCCO + H2O - - - 7.500000E+09 - 0 - 2000.000000 - - - CH2CO:1 OH:1 - H2O:1 HCCO:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 1.300000E+08 - 0 - -1630.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 4.200000E+11 - 0 - 12000.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - HO2 + CH2 [=] OH + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 HO2:1 - CH2O:1 OH:1 - - - - - HO2 + CH3 [=] O2 + CH4 - - - 1.000000E+09 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH4:1 O2:1 - - - - - HO2 + CH3 [=] OH + CH3O - - - 3.780000E+10 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH3O:1 OH:1 - - - - - HO2 + CO [=] OH + CO2 - - - 1.500000E+11 - 0 - 23600.000000 - - - CO:1 HO2:1 - CO2:1 OH:1 - - - - - HO2 + CH2O [=] HCO + H2O2 - - - 5.600000E+03 - 2 - 12000.000000 - - - CH2O:1 HO2:1 - HCO:1 H2O2:1 - - - - - C + O2 [=] O + CO - - - 5.800000E+10 - 0 - 576.000000 - - - C:1 O2:1 - CO:1 O:1 - - - - - C + CH2 [=] H + C2H - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH2:1 - H:1 C2H:1 - - - - - C + CH3 [=] H + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH3:1 - H:1 C2H2:1 - - - - - CH + O2 [=] O + HCO - - - 6.710000E+10 - 0 - 0.000000 - - - CH:1 O2:1 - HCO:1 O:1 - - - - - CH + H2 [=] H + CH2 - - - 1.080000E+11 - 0 - 3110.000000 - - - H2:1 CH:1 - H:1 CH2:1 - - - - - CH + H2O [=] H + CH2O - - - 5.710000E+09 - 0 - -755.000000 - - - H2O:1 CH:1 - CH2O:1 H:1 - - - - - CH + CH2 [=] H + C2H2 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH:1 - H:1 C2H2:1 - - - - - CH + CH3 [=] H + C2H3 - - - 3.000000E+10 - 0 - 0.000000 - - - CH3:1 CH:1 - H:1 C2H3:1 - - - - - CH + CH4 [=] H + C2H4 - - - 6.000000E+10 - 0 - 0.000000 - - - CH:1 CH4:1 - H:1 C2H4:1 - - - - - CH + CO (+ M) [=] HCCO (+ M) - - - 5.000000E+10 - 0 - 0.000000 - - - 2.690000E+22 - -3.7400000000000002 - 1936.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5757 237 1652 5069 - - CH:1 CO:1 - HCCO:1 - - - - - CH + CO2 [=] HCO + CO - - - 1.900000E+11 - 0 - 15792.000000 - - - CH:1 CO2:1 - CO:1 HCO:1 - - - - - CH + CH2O [=] H + CH2CO - - - 9.460000E+10 - 0 - -515.000000 - - - CH2O:1 CH:1 - H:1 CH2CO:1 - - - - - CH + HCCO [=] CO + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - CH:1 HCCO:1 - CO:1 C2H2:1 - - - - - CH2 + O2 =] OH + H + CO - - - 5.000000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2 + H2 [=] H + CH3 - - - 5.000000E+02 - 2 - 7230.000000 - - - H2:1 CH2:1 - H:1 CH3:1 - - - - - 2 CH2 [=] H2 + C2H2 - - - 1.600000E+12 - 0 - 11944.000000 - - - CH2:2 - H2:1 C2H2:1 - - - - - CH2 + CH3 [=] H + C2H4 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH3:1 - H:1 C2H4:1 - - - - - CH2 + CH4 [=] 2 CH3 - - - 2.460000E+03 - 2 - 8270.000000 - - - CH2:1 CH4:1 - CH3:2 - - - - - CH2 + CO (+ M) [=] CH2CO (+ M) - - - 8.100000E+08 - 0.5 - 4510.000000 - - - 2.690000E+27 - -5.1100000000000003 - 7095.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5907 275 1226 5185 - - CH2:1 CO:1 - CH2CO:1 - - - - - CH2 + HCCO [=] C2H3 + CO - - - 3.000000E+10 - 0 - 0.000000 - - - CH2:1 HCCO:1 - CO:1 C2H3:1 - - - - - CH2(S) + N2 [=] CH2 + N2 - - - 1.500000E+10 - 0 - 600.000000 - - - CH2(S):1 N2:1 - CH2:1 N2:1 - - - - - CH2(S) + AR [=] CH2 + AR - - - 9.000000E+09 - 0 - 600.000000 - - - CH2(S):1 AR:1 - CH2:1 AR:1 - - - - - CH2(S) + O2 [=] H + OH + CO - - - 2.800000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2(S) + O2 [=] CO + H2O - - - 1.200000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H2O:1 CO:1 - - - - - CH2(S) + H2 [=] CH3 + H - - - 7.000000E+10 - 0 - 0.000000 - - - H2:1 CH2(S):1 - H:1 CH3:1 - - - - - CH2(S) + H2O (+ M) [=] CH3OH (+ M) - - - 4.820000E+14 - -1.1599999999999999 - 1145.000000 - - - 1.880000E+32 - -6.3600000000000003 - 5040.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6027 208 3922 10180 - - CH2(S):1 H2O:1 - CH3OH:1 - - - - - CH2(S) + H2O [=] CH2 + H2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 H2O:1 - CH2:1 H2O:1 - - - - - CH2(S) + CH3 [=] H + C2H4 - - - 1.200000E+10 - 0 - -570.000000 - - - CH2(S):1 CH3:1 - H:1 C2H4:1 - - - - - CH2(S) + CH4 [=] 2 CH3 - - - 1.600000E+10 - 0 - -570.000000 - - - CH2(S):1 CH4:1 - CH3:2 - - - - - CH2(S) + CO [=] CH2 + CO - - - 9.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO:1 - CH2:1 CO:1 - - - - - CH2(S) + CO2 [=] CH2 + CO2 - - - 7.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2:1 CO2:1 - - - - - CH2(S) + CO2 [=] CO + CH2O - - - 1.400000E+10 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2O:1 CO:1 - - - - - CH2(S) + C2H6 [=] CH3 + C2H5 - - - 4.000000E+10 - 0 - -550.000000 - - - CH2(S):1 C2H6:1 - C2H5:1 CH3:1 - - - - - CH3 + O2 [=] O + CH3O - - - 3.560000E+10 - 0 - 30480.000000 - - - CH3:1 O2:1 - CH3O:1 O:1 - - - - - CH3 + O2 [=] OH + CH2O - - - 2.310000E+09 - 0 - 20315.000000 - - - CH3:1 O2:1 - CH2O:1 OH:1 - - - - - CH3 + H2O2 [=] HO2 + CH4 - - - 2.450000E+01 - 2.4700000000000002 - 5180.000000 - - - CH3:1 H2O2:1 - CH4:1 HO2:1 - - - - - 2 CH3 (+ M) [=] C2H6 (+ M) - - - 6.770000E+13 - -1.1799999999999999 - 654.000000 - - - 3.400000E+35 - -7.0300000000000002 - 2762.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.619 73.2 1180 9999 - - CH3:2 - C2H6:1 - - - - - 2 CH3 [=] H + C2H5 - - - 6.840000E+09 - 0.10000000000000001 - 10600.000000 - - - CH3:2 - H:1 C2H5:1 - - - - - CH3 + HCO [=] CH4 + CO - - - 2.648000E+10 - 0 - 0.000000 - - - CH3:1 HCO:1 - CO:1 CH4:1 - - - - - CH3 + CH2O [=] HCO + CH4 - - - 3.320000E+00 - 2.8100000000000001 - 5860.000000 - - - CH2O:1 CH3:1 - CH4:1 HCO:1 - - - - - CH3 + CH3OH [=] CH2OH + CH4 - - - 3.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH2OH:1 CH4:1 - - - - - CH3 + CH3OH [=] CH3O + CH4 - - - 1.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH3O:1 CH4:1 - - - - - CH3 + C2H4 [=] C2H3 + CH4 - - - 2.270000E+02 - 2 - 9200.000000 - - - CH3:1 C2H4:1 - CH4:1 C2H3:1 - - - - - CH3 + C2H6 [=] C2H5 + CH4 - - - 6.140000E+03 - 1.74 - 10450.000000 - - - C2H6:1 CH3:1 - C2H5:1 CH4:1 - - - - - HCO + H2O [=] H + CO + H2O - - - 1.500000E+15 - -1 - 17000.000000 - - - H2O:1 HCO:1 - H:1 H2O:1 CO:1 - - - - - HCO + M [=] H + CO + M - - - 1.870000E+14 - -1 - 17000.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 - - HCO:1 - H:1 CO:1 - - - - - HCO + O2 [=] HO2 + CO - - - 1.345000E+10 - 0 - 400.000000 - - - HCO:1 O2:1 - CO:1 HO2:1 - - - - - CH2OH + O2 [=] HO2 + CH2O - - - 1.800000E+10 - 0 - 900.000000 - - - CH2OH:1 O2:1 - CH2O:1 HO2:1 - - - - - CH3O + O2 [=] HO2 + CH2O - - - 4.280000E-16 - 7.5999999999999996 - -3530.000000 - - - CH3O:1 O2:1 - CH2O:1 HO2:1 - - - - - C2H + O2 [=] HCO + CO - - - 1.000000E+10 - 0 - -755.000000 - - - C2H:1 O2:1 - CO:1 HCO:1 - - - - - C2H + H2 [=] H + C2H2 - - - 5.680000E+07 - 0.90000000000000002 - 1993.000000 - - - H2:1 C2H:1 - H:1 C2H2:1 - - - - - C2H3 + O2 [=] HCO + CH2O - - - 4.580000E+13 - -1.3899999999999999 - 1015.000000 - - - C2H3:1 O2:1 - CH2O:1 HCO:1 - - - - - C2H4 (+ M) [=] H2 + C2H2 (+ M) - - - 8.000000E+12 - 0.44 - 86770.000000 - - - 1.580000E+48 - -9.3000000000000007 - 97800.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7345 180 1035 5417 - - C2H4:1 - H2:1 C2H2:1 - - - - - C2H5 + O2 [=] HO2 + C2H4 - - - 8.400000E+08 - 0 - 3875.000000 - - - C2H5:1 O2:1 - C2H4:1 HO2:1 - - - - - HCCO + O2 [=] OH + 2 CO - - - 3.200000E+09 - 0 - 854.000000 - - - HCCO:1 O2:1 - CO:2 OH:1 - - - - - 2 HCCO [=] 2 CO + C2H2 - - - 1.000000E+10 - 0 - 0.000000 - - - HCCO:2 - CO:2 C2H2:1 - - - - - N + NO [=] N2 + O - - - 2.700000E+10 - 0 - 355.000000 - - - NO:1 N:1 - N2:1 O:1 - - - - - N + O2 [=] NO + O - - - 9.000000E+06 - 1 - 6500.000000 - - - O2:1 N:1 - O:1 NO:1 - - - - - N + OH [=] NO + H - - - 3.360000E+10 - 0 - 385.000000 - - - OH:1 N:1 - H:1 NO:1 - - - - - N2O + O [=] N2 + O2 - - - 1.400000E+09 - 0 - 10810.000000 - - - N2O:1 O:1 - N2:1 O2:1 - - - - - N2O + O [=] 2 NO - - - 2.900000E+10 - 0 - 23150.000000 - - - N2O:1 O:1 - NO:2 - - - - - N2O + H [=] N2 + OH - - - 3.870000E+11 - 0 - 18880.000000 - - - H:1 N2O:1 - N2:1 OH:1 - - - - - N2O + OH [=] N2 + HO2 - - - 2.000000E+09 - 0 - 21060.000000 - - - N2O:1 OH:1 - N2:1 HO2:1 - - - - - N2O (+ M) [=] N2 + O (+ M) - - - 7.910000E+10 - 0 - 56020.000000 - - - 6.370000E+11 - 0 - 56640.000000 - - AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - N2O:1 - N2:1 O:1 - - - - - HO2 + NO [=] NO2 + OH - - - 2.110000E+09 - 0 - -480.000000 - - - HO2:1 NO:1 - NO2:1 OH:1 - - - - - NO + O + M [=] NO2 + M - - - 1.060000E+14 - -1.4099999999999999 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - O:1 NO:1 - NO2:1 - - - - - NO2 + O [=] NO + O2 - - - 3.900000E+09 - 0 - -240.000000 - - - O:1 NO2:1 - O2:1 NO:1 - - - - - NO2 + H [=] NO + OH - - - 1.320000E+11 - 0 - 360.000000 - - - H:1 NO2:1 - OH:1 NO:1 - - - - - NH + O [=] NO + H - - - 4.000000E+10 - 0 - 0.000000 - - - NH:1 O:1 - H:1 NO:1 - - - - - NH + H [=] N + H2 - - - 3.200000E+10 - 0 - 330.000000 - - - NH:1 H:1 - H2:1 N:1 - - - - - NH + OH [=] HNO + H - - - 2.000000E+10 - 0 - 0.000000 - - - NH:1 OH:1 - H:1 HNO:1 - - - - - NH + OH [=] N + H2O - - - 2.000000E+06 - 1.2 - 0.000000 - - - NH:1 OH:1 - H2O:1 N:1 - - - - - NH + O2 [=] HNO + O - - - 4.610000E+02 - 2 - 6500.000000 - - - NH:1 O2:1 - O:1 HNO:1 - - - - - NH + O2 [=] NO + OH - - - 1.280000E+03 - 1.5 - 100.000000 - - - NH:1 O2:1 - OH:1 NO:1 - - - - - NH + N [=] N2 + H - - - 1.500000E+10 - 0 - 0.000000 - - - NH:1 N:1 - H:1 N2:1 - - - - - NH + H2O [=] HNO + H2 - - - 2.000000E+10 - 0 - 13850.000000 - - - NH:1 H2O:1 - H2:1 HNO:1 - - - - - NH + NO [=] N2 + OH - - - 2.160000E+10 - -0.23000000000000001 - 0.000000 - - - NH:1 NO:1 - N2:1 OH:1 - - - - - NH + NO [=] N2O + H - - - 3.650000E+11 - -0.45000000000000001 - 0.000000 - - - NH:1 NO:1 - H:1 N2O:1 - - - - - NH2 + O [=] OH + NH - - - 3.000000E+09 - 0 - 0.000000 - - - O:1 NH2:1 - NH:1 OH:1 - - - - - NH2 + O [=] H + HNO - - - 3.900000E+10 - 0 - 0.000000 - - - O:1 NH2:1 - H:1 HNO:1 - - - - - NH2 + H [=] NH + H2 - - - 4.000000E+10 - 0 - 3650.000000 - - - H:1 NH2:1 - NH:1 H2:1 - - - - - NH2 + OH [=] NH + H2O - - - 9.000000E+04 - 1.5 - -460.000000 - - - OH:1 NH2:1 - NH:1 H2O:1 - - - - - NNH [=] N2 + H - - - 3.300000E+08 - 0 - 0.000000 - - - NNH:1 - H:1 N2:1 - - - - - NNH + M [=] N2 + H + M - - - 1.300000E+11 - -0.11 - 4980.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NNH:1 - H:1 N2:1 - - - - - NNH + O2 [=] HO2 + N2 - - - 5.000000E+09 - 0 - 0.000000 - - - O2:1 NNH:1 - N2:1 HO2:1 - - - - - NNH + O [=] OH + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - N2:1 OH:1 - - - - - NNH + O [=] NH + NO - - - 7.000000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - NH:1 NO:1 - - - - - NNH + H [=] H2 + N2 - - - 5.000000E+10 - 0 - 0.000000 - - - H:1 NNH:1 - H2:1 N2:1 - - - - - NNH + OH [=] H2O + N2 - - - 2.000000E+10 - 0 - 0.000000 - - - OH:1 NNH:1 - H2O:1 N2:1 - - - - - NNH + CH3 [=] CH4 + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - CH3:1 NNH:1 - N2:1 CH4:1 - - - - - H + NO + M [=] HNO + M - - - 4.480000E+13 - -1.3200000000000001 - 740.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 NO:1 - HNO:1 - - - - - HNO + O [=] NO + OH - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 HNO:1 - OH:1 NO:1 - - - - - HNO + H [=] H2 + NO - - - 9.000000E+08 - 0.71999999999999997 - 660.000000 - - - H:1 HNO:1 - H2:1 NO:1 - - - - - HNO + OH [=] NO + H2O - - - 1.300000E+04 - 1.8999999999999999 - -950.000000 - - - HNO:1 OH:1 - H2O:1 NO:1 - - - - - HNO + O2 [=] HO2 + NO - - - 1.000000E+10 - 0 - 13000.000000 - - - O2:1 HNO:1 - HO2:1 NO:1 - - - - - CN + O [=] CO + N - - - 7.700000E+10 - 0 - 0.000000 - - - CN:1 O:1 - CO:1 N:1 - - - - - CN + OH [=] NCO + H - - - 4.000000E+10 - 0 - 0.000000 - - - CN:1 OH:1 - H:1 NCO:1 - - - - - CN + H2O [=] HCN + OH - - - 8.000000E+09 - 0 - 7460.000000 - - - H2O:1 CN:1 - HCN:1 OH:1 - - - - - CN + O2 [=] NCO + O - - - 6.140000E+09 - 0 - -440.000000 - - - CN:1 O2:1 - O:1 NCO:1 - - - - - CN + H2 [=] HCN + H - - - 2.950000E+02 - 2.4500000000000002 - 2240.000000 - - - H2:1 CN:1 - H:1 HCN:1 - - - - - NCO + O [=] NO + CO - - - 2.350000E+10 - 0 - 0.000000 - - - O:1 NCO:1 - CO:1 NO:1 - - - - - NCO + H [=] NH + CO - - - 5.400000E+10 - 0 - 0.000000 - - - H:1 NCO:1 - NH:1 CO:1 - - - - - NCO + OH [=] NO + H + CO - - - 2.500000E+09 - 0 - 0.000000 - - - OH:1 NCO:1 - H:1 CO:1 NO:1 - - - - - NCO + N [=] N2 + CO - - - 2.000000E+10 - 0 - 0.000000 - - - N:1 NCO:1 - N2:1 CO:1 - - - - - NCO + O2 [=] NO + CO2 - - - 2.000000E+09 - 0 - 20000.000000 - - - O2:1 NCO:1 - CO2:1 NO:1 - - - - - NCO + M [=] N + CO + M - - - 3.100000E+11 - 0 - 54050.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NCO:1 - CO:1 N:1 - - - - - NCO + NO [=] N2O + CO - - - 1.900000E+14 - -1.52 - 740.000000 - - - NO:1 NCO:1 - CO:1 N2O:1 - - - - - NCO + NO [=] N2 + CO2 - - - 3.800000E+15 - -2 - 800.000000 - - - NO:1 NCO:1 - N2:1 CO2:1 - - - - - HCN + M [=] H + CN + M - - - 1.040000E+26 - -3.2999999999999998 - 126600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HCN:1 - H:1 CN:1 - - - - - HCN + O [=] NCO + H - - - 2.030000E+01 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - H:1 NCO:1 - - - - - HCN + O [=] NH + CO - - - 5.070000E+00 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - NH:1 CO:1 - - - - - HCN + O [=] CN + OH - - - 3.910000E+06 - 1.5800000000000001 - 26600.000000 - - - HCN:1 O:1 - CN:1 OH:1 - - - - - HCN + OH [=] HOCN + H - - - 1.100000E+03 - 2.0299999999999998 - 13370.000000 - - - HCN:1 OH:1 - HOCN:1 H:1 - - - - - HCN + OH [=] HNCO + H - - - 4.400000E+00 - 2.2599999999999998 - 6400.000000 - - - HCN:1 OH:1 - HNCO:1 H:1 - - - - - HCN + OH [=] NH2 + CO - - - 1.600000E-01 - 2.5600000000000001 - 9000.000000 - - - HCN:1 OH:1 - CO:1 NH2:1 - - - - - H + HCN (+ M) [=] H2CN (+ M) - - - 3.300000E+10 - 0 - 0.000000 - - - 1.400000E+20 - -3.3999999999999999 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - H:1 HCN:1 - H2CN:1 - - - - - H2CN + N [=] N2 + CH2 - - - 6.000000E+10 - 0 - 400.000000 - - - H2CN:1 N:1 - N2:1 CH2:1 - - - - - C + N2 [=] CN + N - - - 6.300000E+10 - 0 - 46020.000000 - - - C:1 N2:1 - CN:1 N:1 - - - - - CH + N2 [=] HCN + N - - - 3.120000E+06 - 0.88 - 20130.000000 - - - N2:1 CH:1 - HCN:1 N:1 - - - - - CH + N2 (+ M) [=] HCNN (+ M) - - - 3.100000E+09 - 0.14999999999999999 - 0.000000 - - - 1.300000E+19 - -3.1600000000000001 - 740.000000 - - AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.667 235 2117 4536 - - N2:1 CH:1 - HCNN:1 - - - - - CH2 + N2 [=] HCN + NH - - - 1.000000E+10 - 0 - 74000.000000 - - - CH2:1 N2:1 - NH:1 HCN:1 - - - - - CH2(S) + N2 [=] NH + HCN - - - 1.000000E+08 - 0 - 65000.000000 - - - CH2(S):1 N2:1 - NH:1 HCN:1 - - - - - C + NO [=] CN + O - - - 1.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CN:1 O:1 - - - - - C + NO [=] CO + N - - - 2.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CO:1 N:1 - - - - - CH + NO [=] HCN + O - - - 4.100000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCN:1 O:1 - - - - - CH + NO [=] H + NCO - - - 1.620000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - H:1 NCO:1 - - - - - CH + NO [=] N + HCO - - - 2.460000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCO:1 N:1 - - - - - CH2 + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2:1 NO:1 - HNCO:1 H:1 - - - - - CH2 + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2:1 NO:1 - HCN:1 OH:1 - - - - - CH2 + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2:1 NO:1 - H:1 HCNO:1 - - - - - CH2(S) + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2(S):1 NO:1 - HNCO:1 H:1 - - - - - CH2(S) + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2(S):1 NO:1 - HCN:1 OH:1 - - - - - CH2(S) + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2(S):1 NO:1 - H:1 HCNO:1 - - - - - CH3 + NO [=] HCN + H2O - - - 9.600000E+10 - 0 - 28800.000000 - - - CH3:1 NO:1 - H2O:1 HCN:1 - - - - - CH3 + NO [=] H2CN + OH - - - 1.000000E+09 - 0 - 21750.000000 - - - CH3:1 NO:1 - H2CN:1 OH:1 - - - - - HCNN + O [=] CO + H + N2 - - - 2.200000E+10 - 0 - 0.000000 - - - O:1 HCNN:1 - H:1 N2:1 CO:1 - - - - - HCNN + O [=] HCN + NO - - - 2.000000E+09 - 0 - 0.000000 - - - O:1 HCNN:1 - HCN:1 NO:1 - - - - - HCNN + O2 [=] O + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - O2:1 HCNN:1 - N2:1 HCO:1 O:1 - - - - - HCNN + OH [=] H + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - OH:1 HCNN:1 - H:1 N2:1 HCO:1 - - - - - HCNN + H [=] CH2 + N2 - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCNN:1 - CH2:1 N2:1 - - - - - HNCO + O [=] NH + CO2 - - - 9.800000E+04 - 1.4099999999999999 - 8500.000000 - - - HNCO:1 O:1 - NH:1 CO2:1 - - - - - HNCO + O [=] HNO + CO - - - 1.500000E+05 - 1.5700000000000001 - 44000.000000 - - - HNCO:1 O:1 - CO:1 HNO:1 - - - - - HNCO + O [=] NCO + OH - - - 2.200000E+03 - 2.1099999999999999 - 11400.000000 - - - HNCO:1 O:1 - OH:1 NCO:1 - - - - - HNCO + H [=] NH2 + CO - - - 2.250000E+04 - 1.7 - 3800.000000 - - - HNCO:1 H:1 - CO:1 NH2:1 - - - - - HNCO + H [=] H2 + NCO - - - 1.050000E+02 - 2.5 - 13300.000000 - - - HNCO:1 H:1 - H2:1 NCO:1 - - - - - HNCO + OH [=] NCO + H2O - - - 3.300000E+04 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - H2O:1 NCO:1 - - - - - HNCO + OH [=] NH2 + CO2 - - - 3.300000E+03 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - CO2:1 NH2:1 - - - - - HNCO + M [=] NH + CO + M - - - 1.180000E+13 - 0 - 84720.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HNCO:1 - NH:1 CO:1 - - - - - HCNO + H [=] H + HNCO - - - 2.100000E+12 - -0.68999999999999995 - 2850.000000 - - - H:1 HCNO:1 - HNCO:1 H:1 - - - - - HCNO + H [=] OH + HCN - - - 2.700000E+08 - 0.17999999999999999 - 2120.000000 - - - H:1 HCNO:1 - HCN:1 OH:1 - - - - - HCNO + H [=] NH2 + CO - - - 1.700000E+11 - -0.75 - 2890.000000 - - - H:1 HCNO:1 - CO:1 NH2:1 - - - - - HOCN + H [=] H + HNCO - - - 2.000000E+04 - 2 - 2000.000000 - - - HOCN:1 H:1 - HNCO:1 H:1 - - - - - HCCO + NO [=] HCNO + CO - - - 9.000000E+09 - 0 - 0.000000 - - - HCCO:1 NO:1 - CO:1 HCNO:1 - - - - - CH3 + N [=] H2CN + H - - - 6.100000E+11 - -0.31 - 290.000000 - - - CH3:1 N:1 - H:1 H2CN:1 - - - - - CH3 + N [=] HCN + H2 - - - 3.700000E+09 - 0.14999999999999999 - -90.000000 - - - CH3:1 N:1 - H2:1 HCN:1 - - - - - NH3 + H [=] NH2 + H2 - - - 5.400000E+02 - 2.3999999999999999 - 9915.000000 - - - H:1 NH3:1 - H2:1 NH2:1 - - - - - NH3 + OH [=] NH2 + H2O - - - 5.000000E+04 - 1.6000000000000001 - 955.000000 - - - NH3:1 OH:1 - H2O:1 NH2:1 - - - - - NH3 + O [=] NH2 + OH - - - 9.400000E+03 - 1.9399999999999999 - 6460.000000 - - - O:1 NH3:1 - OH:1 NH2:1 - - - - - NH + CO2 [=] HNO + CO - - - 1.000000E+10 - 0 - 14350.000000 - - - NH:1 CO2:1 - CO:1 HNO:1 - - - - - CN + NO2 [=] NCO + NO - - - 6.160000E+12 - -0.752 - 345.000000 - - - CN:1 NO2:1 - NO:1 NCO:1 - - - - - NCO + NO2 [=] N2O + CO2 - - - 3.250000E+09 - 0 - -705.000000 - - - NO2:1 NCO:1 - CO2:1 N2O:1 - - - - - N + CO2 [=] NO + CO - - - 3.000000E+09 - 0 - 11300.000000 - - - CO2:1 N:1 - CO:1 NO:1 - - - - - O + CH3 =] H + H2 + CO - - - 3.370000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - H2:1 H:1 CO:1 - - - - - O + C2H4 [=] H + CH2CHO - - - 6.700000E+03 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - H:1 CH2CHO:1 - - - - - O + C2H5 [=] H + CH3CHO - - - 1.096000E+11 - 0 - 0.000000 - - - C2H5:1 O:1 - H:1 CH3CHO:1 - - - - - OH + HO2 [=] O2 + H2O - - - 5.000000E+12 - 0 - 17330.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + CH3 =] H2 + CH2O - - - 8.000000E+06 - 0.5 - -1755.000000 - - - CH3:1 OH:1 - H2:1 CH2O:1 - - - - - CH + H2 (+ M) [=] CH3 (+ M) - - - 1.970000E+09 - 0.42999999999999999 - -370.000000 - - - 4.820000E+19 - -2.7999999999999998 - 590.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.578 122 2535 9365 - - H2:1 CH:1 - CH3:1 - - - - - CH2 + O2 =] 2 H + CO2 - - - 5.800000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:2 CO2:1 - - - - - CH2 + O2 [=] O + CH2O - - - 2.400000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - CH2O:1 O:1 - - - - - CH2 + CH2 =] 2 H + C2H2 - - - 2.000000E+11 - 0 - 10989.000000 - - - CH2:2 - H:2 C2H2:1 - - - - - CH2(S) + H2O =] H2 + CH2O - - - 6.820000E+07 - 0.25 - -935.000000 - - - CH2(S):1 H2O:1 - H2:1 CH2O:1 - - - - - C2H3 + O2 [=] O + CH2CHO - - - 3.030000E+08 - 0.28999999999999998 - 11.000000 - - - C2H3:1 O2:1 - CH2CHO:1 O:1 - - - - - C2H3 + O2 [=] HO2 + C2H2 - - - 1.337000E+03 - 1.6100000000000001 - -384.000000 - - - C2H3:1 O2:1 - HO2:1 C2H2:1 - - - - - O + CH3CHO [=] OH + CH2CHO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH2CHO:1 OH:1 - - - - - O + CH3CHO =] OH + CH3 + CO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH3:1 CO:1 OH:1 - - - - - O2 + CH3CHO =] HO2 + CH3 + CO - - - 3.010000E+10 - 0 - 39150.000000 - - - CH3CHO:1 O2:1 - CO:1 CH3:1 HO2:1 - - - - - H + CH3CHO [=] CH2CHO + H2 - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH2CHO:1 - - - - - H + CH3CHO =] CH3 + H2 + CO - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH3:1 CO:1 - - - - - OH + CH3CHO =] CH3 + H2O + CO - - - 2.343000E+07 - 0.72999999999999998 - -1113.000000 - - - CH3CHO:1 OH:1 - H2O:1 CH3:1 CO:1 - - - - - HO2 + CH3CHO =] CH3 + H2O2 + CO - - - 3.010000E+09 - 0 - 11923.000000 - - - CH3CHO:1 HO2:1 - CH3:1 CO:1 H2O2:1 - - - - - CH3 + CH3CHO =] CH3 + CH4 + CO - - - 2.720000E+03 - 1.77 - 5920.000000 - - - CH3CHO:1 CH3:1 - CO:1 CH3:1 CH4:1 - - - - - H + CH2CO (+ M) [=] CH2CHO (+ M) - - - 4.865000E+08 - 0.42199999999999999 - -1755.000000 - - - 1.012000E+36 - -7.6299999999999999 - 3854.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.465 201 1773 5333 - - H:1 CH2CO:1 - CH2CHO:1 - - - - - O + CH2CHO =] H + CH2 + CO2 - - - 1.500000E+11 - 0 - 0.000000 - - - CH2CHO:1 O:1 - H:1 CH2:1 CO2:1 - - - - - O2 + CH2CHO =] OH + CO + CH2O - - - 1.810000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - CH2O:1 CO:1 OH:1 - - - - - O2 + CH2CHO =] OH + 2 HCO - - - 2.350000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - HCO:2 OH:1 - - - - - H + CH2CHO [=] CH3 + HCO - - - 2.200000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - CH3:1 HCO:1 - - - - - H + CH2CHO [=] CH2CO + H2 - - - 1.100000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - H2:1 CH2CO:1 - - - - - OH + CH2CHO [=] H2O + CH2CO - - - 1.200000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - H2O:1 CH2CO:1 - - - - - OH + CH2CHO [=] HCO + CH2OH - - - 3.010000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - CH2OH:1 HCO:1 - - - - - CH3 + C2H5 (+ M) [=] C3H8 (+ M) - - - 9.430000E+09 - 0 - 0.000000 - - - 2.710000E+68 - -16.82 - 13065.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1527 291 2742 7748 - - C2H5:1 CH3:1 - C3H8:1 - - - - - O + C3H8 [=] OH + C3H7 - - - 1.930000E+02 - 2.6800000000000002 - 3716.000000 - - - C3H8:1 O:1 - C3H7:1 OH:1 - - - - - H + C3H8 [=] C3H7 + H2 - - - 1.320000E+03 - 2.54 - 6756.000000 - - - H:1 C3H8:1 - H2:1 C3H7:1 - - - - - OH + C3H8 [=] C3H7 + H2O - - - 3.160000E+04 - 1.8 - 934.000000 - - - C3H8:1 OH:1 - C3H7:1 H2O:1 - - - - - C3H7 + H2O2 [=] HO2 + C3H8 - - - 3.780000E-01 - 2.7200000000000002 - 1500.000000 - - - C3H7:1 H2O2:1 - HO2:1 C3H8:1 - - - - - CH3 + C3H8 [=] C3H7 + CH4 - - - 9.030000E-04 - 3.6499999999999999 - 7154.000000 - - - CH3:1 C3H8:1 - C3H7:1 CH4:1 - - - - - CH3 + C2H4 (+ M) [=] C3H7 (+ M) - - - 2.550000E+03 - 1.6000000000000001 - 5700.000000 - - - 3.000000E+57 - -14.6 - 18170.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1894 277 8748 7891 - - CH3:1 C2H4:1 - C3H7:1 - - - - - O + C3H7 [=] C2H5 + CH2O - - - 9.640000E+10 - 0 - 0.000000 - - - C3H7:1 O:1 - CH2O:1 C2H5:1 - - - - - H + C3H7 (+ M) [=] C3H8 (+ M) - - - 3.613000E+10 - 0 - 0.000000 - - - 4.420000E+55 - -13.545 - 11357.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.315 369 3285 6667 - - H:1 C3H7:1 - C3H8:1 - - - - - H + C3H7 [=] CH3 + C2H5 - - - 4.060000E+03 - 2.1899999999999999 - 890.000000 - - - H:1 C3H7:1 - C2H5:1 CH3:1 - - - - - OH + C3H7 [=] C2H5 + CH2OH - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 OH:1 - CH2OH:1 C2H5:1 - - - - - HO2 + C3H7 [=] O2 + C3H8 - - - 2.550000E+07 - 0.255 - -943.000000 - - - C3H7:1 HO2:1 - O2:1 C3H8:1 - - - - - HO2 + C3H7 =] OH + C2H5 + CH2O - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 HO2:1 - CH2O:1 C2H5:1 OH:1 - - - - - CH3 + C3H7 [=] 2 C2H5 - - - 1.927000E+10 - -0.32000000000000001 - 0.000000 - - - C3H7:1 CH3:1 - C2H5:2 - - - diff --git a/test_problems/PecosTransport/gri30.xml b/test_problems/PecosTransport/gri30.xml deleted file mode 100644 index 6acba138c..000000000 --- a/test_problems/PecosTransport/gri30.xml +++ /dev/null @@ -1,6173 +0,0 @@ - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - - - - H:2 - TPIS78 - - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 - - - - - - H:1 - L 7/88 - - - - 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 - - - - 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 - - - - atom - 145.000 - 2.050 - 0.000 - 0.000 - 0.000 - - - - - - O:1 - L 1/90 - - - - 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 - - - - 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, - 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 - - - - atom - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - O:2 - TPIS89 - - - - 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 - - - - 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 - - - - linear - 107.400 - 3.460 - 0.000 - 1.600 - 3.800 - - - - - - H:1 O:1 - RUS 78 - - - - 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 - - - - 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, - 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 O:1 - L 8/89 - - - - 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 - - - - 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 - - - - nonlinear - 572.400 - 2.600 - 1.840 - 0.000 - 4.000 - - - - - - H:1 O:2 - L 5/89 - - - - 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 - - - - 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, - -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 1.000 - - - - - - H:2 O:2 - L 7/88 - - - - 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, - 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 - - - - 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, - -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 3.800 - - - - - - C:1 - L11/88 - - - - 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, - 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 - - - - 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, - -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 C:1 - TPIS79 - - - - 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, - -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 - - - - 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, - 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, - 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 - - - - 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, - -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, - 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 - - - - 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, - -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:3 C:1 - L11/89 - - - - 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, - 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 - - - - 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, - -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:4 C:1 - L 8/88 - - - - 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, - 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 - - - - 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, - -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 - - - - nonlinear - 141.400 - 3.750 - 0.000 - 2.600 - 13.000 - - - - - - C:1 O:1 - TPIS79 - - - - 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, - -9.044244990E-13, -1.434408600E+04, 3.508409280E+00 - - - - 2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10, - -2.036477160E-14, -1.415187240E+04, 7.818687720E+00 - - - - linear - 98.100 - 3.650 - 0.000 - 1.950 - 1.800 - - - - - - C:1 O:2 - L 7/88 - - - - 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, - -1.436995480E-13, -4.837196970E+04, 9.901052220E+00 - - - - 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, - -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 - - - - linear - 244.000 - 3.760 - 0.000 - 2.650 - 2.100 - - - - - - H:1 C:1 O:1 - L12/89 - - - - 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, - 4.337688650E-12, 3.839564960E+03, 3.394372430E+00 - - - - 2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10, - -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 O:1 - L 8/88 - - - - 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, - 1.317726520E-11, -1.430895670E+04, 6.028129000E-01 - - - - 1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09, - -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - GUNL93 - - - - 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, - 4.369672780E-12, -3.193913670E+03, 5.473022430E+00 - - - - 3.692665690E+00, 8.645767970E-03, -3.751011200E-06, 7.872346360E-10, - -6.485542010E-14, -3.242506270E+03, 5.810432150E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - 121686 - - - - 2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09, - 2.075610000E-12, 9.786011000E+02, 1.315217700E+01 - - - - 3.770799000E+00, 7.871497000E-03, -2.656384000E-06, 3.944431000E-10, - -2.112616000E-14, 1.278325200E+02, 2.929575000E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:4 C:1 O:1 - L 8/88 - - - - 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, - 2.613526980E-11, -2.564276560E+04, -1.504098230E+00 - - - - 1.789707910E+00, 1.409382920E-02, -6.365008350E-06, 1.381710850E-09, - -1.170602200E-13, -2.537487470E+04, 1.450236230E+01 - - - - nonlinear - 481.800 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:2 - L 1/91 - - - - 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, - -1.093315110E-11, 6.683939320E+04, 6.222964380E+00 - - - - 3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10, - -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:2 C:2 - L 1/91 - - - - 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, - -8.500729740E-12, 2.642898070E+04, 1.393970510E+01 - - - - 4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10, - -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:3 C:2 - L 2/92 - - - - 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, - 1.471508730E-11, 3.485984680E+04, 8.510540250E+00 - - - - 3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09, - -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 - - - - nonlinear - 209.000 - 4.100 - 0.000 - 0.000 - 1.000 - - - - - - H:4 C:2 - L 1/91 - - - - 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, - 2.698843730E-11, 5.089775930E+03, 4.097330960E+00 - - - - 2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09, - -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 - - - - nonlinear - 280.800 - 3.970 - 0.000 - 0.000 - 1.500 - - - - - - H:5 C:2 - L12/92 - - - - 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, - 2.305090040E-11, 1.284162650E+04, 4.707209240E+00 - - - - 1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09, - -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:6 C:2 - L 8/88 - - - - 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, - 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 - - - - 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, - -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:1 C:2 O:1 - SRIC91 - - - - 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, - -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 - - - - 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, - -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:2 O:1 - L 5/90 - - - - 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, - -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 - - - - 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, - -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:2 C:2 O:1 - SRI91 - - - - 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, - -1.401459400E-11, 8.031614300E+03, 1.387431900E+01 - - - - 5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10, - -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - N:1 - L 6/88 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, 5.610463700E+04, 4.193908700E+00 - - - - 2.415942900E+00, 1.748906500E-04, -1.190236900E-07, 3.022624500E-11, - -2.036098200E-15, 5.613377300E+04, 4.649609600E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 N:1 - And94 - - - - 3.492908500E+00, 3.117919800E-04, -1.489048400E-06, 2.481644200E-09, - -1.035696700E-12, 4.188062900E+04, 1.848327800E+00 - - - - 2.783692800E+00, 1.329843000E-03, -4.247804700E-07, 7.834850100E-11, - -5.504447000E-15, 4.212084800E+04, 5.740779900E+00 - - - - linear - 80.000 - 2.650 - 0.000 - 0.000 - 4.000 - - - - - - H:2 N:1 - And89 - - - - 4.204002900E+00, -2.106138500E-03, 7.106834800E-06, -5.611519700E-09, - 1.644071700E-12, 2.188591000E+04, -1.418424800E-01 - - - - 2.834742100E+00, 3.207308200E-03, -9.339080400E-07, 1.370295300E-10, - -7.920614400E-15, 2.217195700E+04, 6.520416300E+00 - - - - nonlinear - 80.000 - 2.650 - 0.000 - 2.260 - 4.000 - - - - - - H:3 N:1 - J 6/77 - - - - 4.286027400E+00, -4.660523000E-03, 2.171851300E-05, -2.280888700E-08, - 8.263804600E-12, -6.741728500E+03, -6.253727700E-01 - - - - 2.634452100E+00, 5.666256000E-03, -1.727867600E-06, 2.386716100E-10, - -1.257878600E-14, -6.544695800E+03, 6.566292800E+00 - - - - nonlinear - 481.000 - 2.920 - 1.470 - 0.000 - 10.000 - - - - - - H:1 N:2 - T07/93 - - - - 4.344692700E+00, -4.849707200E-03, 2.005945900E-05, -2.172646400E-08, - 7.946953900E-12, 2.879197300E+04, 2.977941000E+00 - - - - 3.766754400E+00, 2.891508200E-03, -1.041662000E-06, 1.684259400E-10, - -1.009189600E-14, 2.865069700E+04, 4.470506700E+00 - - - - nonlinear - 71.400 - 3.800 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:1 - RUS 78 - - - - 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, - 2.803577000E-12, 9.844623000E+03, 2.280846400E+00 - - - - 3.260605600E+00, 1.191104300E-03, -4.291704800E-07, 6.945766900E-11, - -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - O:2 N:1 - L 7/88 - - - - 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, - 7.835056400E-12, 2.896617900E+03, 6.311991700E+00 - - - - 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, - -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 - - - - nonlinear - 200.000 - 3.500 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:2 - L 7/88 - - - - 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, - -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 - - - - 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, - -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 O:1 N:1 - And93 - - - - 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, - 5.545457300E-12, 1.154829700E+04, 1.749841700E+00 - - - - 2.979250900E+00, 3.494405900E-03, -7.854977800E-07, 5.747959400E-11, - -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 - - - - nonlinear - 116.700 - 3.490 - 0.000 - 0.000 - 1.000 - - - - - - C:1 N:1 - HBH92 - - - - 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, - -4.643035600E-13, 5.170834000E+04, 3.980499500E+00 - - - - 3.745980500E+00, 4.345077500E-05, 2.970598400E-07, -6.865180600E-11, - 4.413417300E-15, 5.153618800E+04, 2.786760100E+00 - - - - linear - 75.000 - 3.860 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:1 - GRI/98 - - - - 2.258988600E+00, 1.005117000E-02, -1.335176300E-05, 1.009234900E-08, - -3.008902800E-12, 1.471263300E+04, 8.916441900E+00 - - - - 3.802239200E+00, 3.146422800E-03, -1.063218500E-06, 1.661975700E-10, - -9.799757000E-15, 1.440729200E+04, 1.575460100E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:1 N:1 - 41687 - - - - 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, - -2.351108100E-13, 2.863782000E+04, 8.992751100E+00 - - - - 5.209703000E+00, 2.969291100E-03, -2.855589100E-07, -1.635550000E-10, - 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:2 - SRI/94 - - - - 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, - -3.235737800E-12, 5.426198400E+04, 1.167587000E+01 - - - - 5.894636200E+00, 3.989595900E-03, -1.598238000E-06, 2.924939500E-10, - -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, - -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 - - - - 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, - -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, - 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 - - - - 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, - -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, - 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 - - - - 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, - -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - C:1 O:1 N:1 - EA 93 - - - - 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, - -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 - - - - 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, - -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - N:2 - 121286 - - - - 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 - - - - 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, - -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - Ar:1 - 120186 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - atom - 136.500 - 3.330 - 0.000 - 0.000 - 0.000 - - - - - - H:7 C:3 - L 9/84 - - - - 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, - 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 - - - - 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, - -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:8 C:3 - L 4/85 - - - - 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, - 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 - - - - 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, - -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:3 C:2 O:1 - SAND86 - - - - 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, - 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 - - - - 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, - -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:4 C:2 O:1 - L 8/88 - - - - 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, - 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 - - - - 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, - -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - - - 2 O + M [=] O2 + M - - - 1.200000E+11 - -1 - 0.000000 - - AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 - - O:2 - O2:1 - - - - - O + H + M [=] OH + M - - - 5.000000E+11 - -1 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 O:1 - OH:1 - - - - - O + H2 [=] H + OH - - - 3.870000E+01 - 2.7000000000000002 - 6260.000000 - - - H2:1 O:1 - H:1 OH:1 - - - - - O + HO2 [=] OH + O2 - - - 2.000000E+10 - 0 - 0.000000 - - - HO2:1 O:1 - O2:1 OH:1 - - - - - O + H2O2 [=] OH + HO2 - - - 9.630000E+03 - 2 - 4000.000000 - - - H2O2:1 O:1 - HO2:1 OH:1 - - - - - O + CH [=] H + CO - - - 5.700000E+10 - 0 - 0.000000 - - - CH:1 O:1 - H:1 CO:1 - - - - - O + CH2 [=] H + HCO - - - 8.000000E+10 - 0 - 0.000000 - - - CH2:1 O:1 - H:1 HCO:1 - - - - - O + CH2(S) [=] H2 + CO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H2:1 CO:1 - - - - - O + CH2(S) [=] H + HCO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H:1 HCO:1 - - - - - O + CH3 [=] H + CH2O - - - 5.060000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - CH2O:1 H:1 - - - - - O + CH4 [=] OH + CH3 - - - 1.020000E+06 - 1.5 - 8600.000000 - - - CH4:1 O:1 - CH3:1 OH:1 - - - - - O + CO (+ M) [=] CO2 (+ M) - - - 1.800000E+07 - 0 - 2385.000000 - - - 6.020000E+08 - 0 - 3000.000000 - - AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 - - - CO:1 O:1 - CO2:1 - - - - - O + HCO [=] OH + CO - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - CO:1 OH:1 - - - - - O + HCO [=] H + CO2 - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - H:1 CO2:1 - - - - - O + CH2O [=] OH + HCO - - - 3.900000E+10 - 0 - 3540.000000 - - - CH2O:1 O:1 - HCO:1 OH:1 - - - - - O + CH2OH [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH2OH:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3O [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH3O:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3OH [=] OH + CH2OH - - - 3.880000E+02 - 2.5 - 3100.000000 - - - CH3OH:1 O:1 - CH2OH:1 OH:1 - - - - - O + CH3OH [=] OH + CH3O - - - 1.300000E+02 - 2.5 - 5000.000000 - - - CH3OH:1 O:1 - CH3O:1 OH:1 - - - - - O + C2H [=] CH + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C2H:1 O:1 - CH:1 CO:1 - - - - - O + C2H2 [=] H + HCCO - - - 1.350000E+04 - 2 - 1900.000000 - - - C2H2:1 O:1 - H:1 HCCO:1 - - - - - O + C2H2 [=] OH + C2H - - - 4.600000E+16 - -1.4099999999999999 - 28950.000000 - - - C2H2:1 O:1 - C2H:1 OH:1 - - - - - O + C2H2 [=] CO + CH2 - - - 6.940000E+03 - 2 - 1900.000000 - - - C2H2:1 O:1 - CH2:1 CO:1 - - - - - O + C2H3 [=] H + CH2CO - - - 3.000000E+10 - 0 - 0.000000 - - - C2H3:1 O:1 - H:1 CH2CO:1 - - - - - O + C2H4 [=] CH3 + HCO - - - 1.250000E+04 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - CH3:1 HCO:1 - - - - - O + C2H5 [=] CH3 + CH2O - - - 2.240000E+10 - 0 - 0.000000 - - - C2H5:1 O:1 - CH2O:1 CH3:1 - - - - - O + C2H6 [=] OH + C2H5 - - - 8.980000E+04 - 1.9199999999999999 - 5690.000000 - - - C2H6:1 O:1 - C2H5:1 OH:1 - - - - - O + HCCO [=] H + 2 CO - - - 1.000000E+11 - 0 - 0.000000 - - - HCCO:1 O:1 - H:1 CO:2 - - - - - O + CH2CO [=] OH + HCCO - - - 1.000000E+10 - 0 - 8000.000000 - - - CH2CO:1 O:1 - HCCO:1 OH:1 - - - - - O + CH2CO [=] CH2 + CO2 - - - 1.750000E+09 - 0 - 1350.000000 - - - CH2CO:1 O:1 - CH2:1 CO2:1 - - - - - O2 + CO [=] O + CO2 - - - 2.500000E+09 - 0 - 47800.000000 - - - CO:1 O2:1 - CO2:1 O:1 - - - - - O2 + CH2O [=] HO2 + HCO - - - 1.000000E+11 - 0 - 40000.000000 - - - CH2O:1 O2:1 - HO2:1 HCO:1 - - - - - H + O2 + M [=] HO2 + M - - - 2.800000E+12 - -0.85999999999999999 - 0.000000 - - AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 - - H:1 O2:1 - HO2:1 - - - - - H + 2 O2 [=] HO2 + O2 - - - 2.080000E+13 - -1.24 - 0.000000 - - - H:1 O2:2 - HO2:1 O2:1 - - - - - H + O2 + H2O [=] HO2 + H2O - - - 1.126000E+13 - -0.76000000000000001 - 0.000000 - - - H:1 H2O:1 O2:1 - H2O:1 HO2:1 - - - - - H + O2 + N2 [=] HO2 + N2 - - - 2.600000E+13 - -1.24 - 0.000000 - - - H:1 N2:1 O2:1 - N2:1 HO2:1 - - - - - H + O2 + AR [=] HO2 + AR - - - 7.000000E+11 - -0.80000000000000004 - 0.000000 - - - H:1 AR:1 O2:1 - AR:1 HO2:1 - - - - - H + O2 [=] O + OH - - - 2.650000E+13 - -0.67069999999999996 - 17041.000000 - - - H:1 O2:1 - O:1 OH:1 - - - - - 2 H + M [=] H2 + M - - - 1.000000E+12 - -1 - 0.000000 - - AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 - - H:2 - H2:1 - - - - - 2 H + H2 [=] 2 H2 - - - 9.000000E+10 - -0.59999999999999998 - 0.000000 - - - H2:1 H:2 - H2:2 - - - - - 2 H + H2O [=] H2 + H2O - - - 6.000000E+13 - -1.25 - 0.000000 - - - H:2 H2O:1 - H2:1 H2O:1 - - - - - 2 H + CO2 [=] H2 + CO2 - - - 5.500000E+14 - -2 - 0.000000 - - - H:2 CO2:1 - H2:1 CO2:1 - - - - - H + OH + M [=] H2O + M - - - 2.200000E+16 - -2 - 0.000000 - - AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 - - H:1 OH:1 - H2O:1 - - - - - H + HO2 [=] O + H2O - - - 3.970000E+09 - 0 - 671.000000 - - - H:1 HO2:1 - H2O:1 O:1 - - - - - H + HO2 [=] O2 + H2 - - - 4.480000E+10 - 0 - 1068.000000 - - - H:1 HO2:1 - H2:1 O2:1 - - - - - H + HO2 [=] 2 OH - - - 8.400000E+10 - 0 - 635.000000 - - - H:1 HO2:1 - OH:2 - - - - - H + H2O2 [=] HO2 + H2 - - - 1.210000E+04 - 2 - 5200.000000 - - - H:1 H2O2:1 - H2:1 HO2:1 - - - - - H + H2O2 [=] OH + H2O - - - 1.000000E+10 - 0 - 3600.000000 - - - H:1 H2O2:1 - H2O:1 OH:1 - - - - - H + CH [=] C + H2 - - - 1.650000E+11 - 0 - 0.000000 - - - H:1 CH:1 - H2:1 C:1 - - - - - H + CH2 (+ M) [=] CH3 (+ M) - - - 6.000000E+11 - 0 - 0.000000 - - - 1.040000E+20 - -2.7599999999999998 - 1600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.562 91 5836 8552 - - H:1 CH2:1 - CH3:1 - - - - - H + CH2(S) [=] CH + H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 CH2(S):1 - H2:1 CH:1 - - - - - H + CH3 (+ M) [=] CH4 (+ M) - - - 1.390000E+13 - -0.53400000000000003 - 536.000000 - - - 2.620000E+27 - -4.7599999999999998 - 2440.000000 - - AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 - 0.783 74 2941 6964 - - H:1 CH3:1 - CH4:1 - - - - - H + CH4 [=] CH3 + H2 - - - 6.600000E+05 - 1.6200000000000001 - 10840.000000 - - - H:1 CH4:1 - H2:1 CH3:1 - - - - - H + HCO (+ M) [=] CH2O (+ M) - - - 1.090000E+09 - 0.47999999999999998 - -260.000000 - - - 2.470000E+18 - -2.5699999999999998 - 425.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7824 271 2755 6570 - - H:1 HCO:1 - CH2O:1 - - - - - H + HCO [=] H2 + CO - - - 7.340000E+10 - 0 - 0.000000 - - - H:1 HCO:1 - H2:1 CO:1 - - - - - H + CH2O (+ M) [=] CH2OH (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 3600.000000 - - - 1.270000E+26 - -4.8200000000000003 - 6530.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7187 103 1291 4160 - - CH2O:1 H:1 - CH2OH:1 - - - - - H + CH2O (+ M) [=] CH3O (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 2600.000000 - - - 2.200000E+24 - -4.7999999999999998 - 5560.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.758 94 1555 4200 - - CH2O:1 H:1 - CH3O:1 - - - - - H + CH2O [=] HCO + H2 - - - 5.740000E+04 - 1.8999999999999999 - 2742.000000 - - - CH2O:1 H:1 - H2:1 HCO:1 - - - - - H + CH2OH (+ M) [=] CH3OH (+ M) - - - 1.055000E+09 - 0.5 - 86.000000 - - - 4.360000E+25 - -4.6500000000000004 - 5080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6 100 90000 10000 - - H:1 CH2OH:1 - CH3OH:1 - - - - - H + CH2OH [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH2OH:1 - H2:1 CH2O:1 - - - - - H + CH2OH [=] OH + CH3 - - - 1.650000E+08 - 0.65000000000000002 - -284.000000 - - - H:1 CH2OH:1 - CH3:1 OH:1 - - - - - H + CH2OH [=] CH2(S) + H2O - - - 3.280000E+10 - -0.089999999999999997 - 610.000000 - - - H:1 CH2OH:1 - CH2(S):1 H2O:1 - - - - - H + CH3O (+ M) [=] CH3OH (+ M) - - - 2.430000E+09 - 0.51500000000000001 - 50.000000 - - - 4.660000E+35 - -7.4400000000000004 - 14080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7 100 90000 10000 - - H:1 CH3O:1 - CH3OH:1 - - - - - H + CH3O [=] H + CH2OH - - - 4.150000E+04 - 1.6299999999999999 - 1924.000000 - - - H:1 CH3O:1 - H:1 CH2OH:1 - - - - - H + CH3O [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH3O:1 - H2:1 CH2O:1 - - - - - H + CH3O [=] OH + CH3 - - - 1.500000E+09 - 0.5 - -110.000000 - - - H:1 CH3O:1 - CH3:1 OH:1 - - - - - H + CH3O [=] CH2(S) + H2O - - - 2.620000E+11 - -0.23000000000000001 - 1070.000000 - - - H:1 CH3O:1 - CH2(S):1 H2O:1 - - - - - H + CH3OH [=] CH2OH + H2 - - - 1.700000E+04 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH2OH:1 - - - - - H + CH3OH [=] CH3O + H2 - - - 4.200000E+03 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH3O:1 - - - - - H + C2H (+ M) [=] C2H2 (+ M) - - - 1.000000E+14 - -1 - 0.000000 - - - 3.750000E+27 - -4.7999999999999998 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6464 132 1315 5566 - - H:1 C2H:1 - C2H2:1 - - - - - H + C2H2 (+ M) [=] C2H3 (+ M) - - - 5.600000E+09 - 0 - 2400.000000 - - - 3.800000E+34 - -7.2699999999999996 - 7220.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7507 98.5 1302 4167 - - H:1 C2H2:1 - C2H3:1 - - - - - H + C2H3 (+ M) [=] C2H4 (+ M) - - - 6.080000E+09 - 0.27000000000000002 - 280.000000 - - - 1.400000E+24 - -3.8599999999999999 - 3320.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.782 207.5 2663 6095 - - H:1 C2H3:1 - C2H4:1 - - - - - H + C2H3 [=] H2 + C2H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 C2H3:1 - H2:1 C2H2:1 - - - - - H + C2H4 (+ M) [=] C2H5 (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 1820.000000 - - - 6.000000E+35 - -7.6200000000000001 - 6970.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.9753 210 984 4374 - - H:1 C2H4:1 - C2H5:1 - - - - - H + C2H4 [=] C2H3 + H2 - - - 1.325000E+03 - 2.5299999999999998 - 12240.000000 - - - H:1 C2H4:1 - H2:1 C2H3:1 - - - - - H + C2H5 (+ M) [=] C2H6 (+ M) - - - 5.210000E+14 - -0.98999999999999999 - 1580.000000 - - - 1.990000E+35 - -7.0800000000000001 - 6685.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.8422 125 2219 6882 - - H:1 C2H5:1 - C2H6:1 - - - - - H + C2H5 [=] H2 + C2H4 - - - 2.000000E+09 - 0 - 0.000000 - - - H:1 C2H5:1 - H2:1 C2H4:1 - - - - - H + C2H6 [=] C2H5 + H2 - - - 1.150000E+05 - 1.8999999999999999 - 7530.000000 - - - H:1 C2H6:1 - H2:1 C2H5:1 - - - - - H + HCCO [=] CH2(S) + CO - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCCO:1 - CH2(S):1 CO:1 - - - - - H + CH2CO [=] HCCO + H2 - - - 5.000000E+10 - 0 - 8000.000000 - - - H:1 CH2CO:1 - H2:1 HCCO:1 - - - - - H + CH2CO [=] CH3 + CO - - - 1.130000E+10 - 0 - 3428.000000 - - - H:1 CH2CO:1 - CH3:1 CO:1 - - - - - H + HCCOH [=] H + CH2CO - - - 1.000000E+10 - 0 - 0.000000 - - - H:1 HCCOH:1 - H:1 CH2CO:1 - - - - - H2 + CO (+ M) [=] CH2O (+ M) - - - 4.300000E+04 - 1.5 - 79600.000000 - - - 5.070000E+21 - -3.4199999999999999 - 84350.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.932 197 1540 10300 - - H2:1 CO:1 - CH2O:1 - - - - - OH + H2 [=] H + H2O - - - 2.160000E+05 - 1.51 - 3430.000000 - - - H2:1 OH:1 - H:1 H2O:1 - - - - - 2 OH (+ M) [=] H2O2 (+ M) - - - 7.400000E+10 - -0.37 - 0.000000 - - - 2.300000E+12 - -0.90000000000000002 - -1700.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7346 94 1756 5182 - - OH:2 - H2O2:1 - - - - - 2 OH [=] O + H2O - - - 3.570000E+01 - 2.3999999999999999 - -2110.000000 - - - OH:2 - H2O:1 O:1 - - - - - OH + HO2 [=] O2 + H2O - - - 1.450000E+10 - 0 - -500.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 2.000000E+09 - 0 - 427.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 1.700000E+15 - 0 - 29410.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + C [=] H + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 OH:1 - H:1 CO:1 - - - - - OH + CH [=] H + HCO - - - 3.000000E+10 - 0 - 0.000000 - - - CH:1 OH:1 - H:1 HCO:1 - - - - - OH + CH2 [=] H + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 OH:1 - CH2O:1 H:1 - - - - - OH + CH2 [=] CH + H2O - - - 1.130000E+04 - 2 - 3000.000000 - - - CH2:1 OH:1 - H2O:1 CH:1 - - - - - OH + CH2(S) [=] H + CH2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 OH:1 - CH2O:1 H:1 - - - - - OH + CH3 (+ M) [=] CH3OH (+ M) - - - 2.790000E+15 - -1.4299999999999999 - 1330.000000 - - - 4.000000E+30 - -5.9199999999999999 - 3140.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.412 195 5900 6394 - - CH3:1 OH:1 - CH3OH:1 - - - - - OH + CH3 [=] CH2 + H2O - - - 5.600000E+04 - 1.6000000000000001 - 5420.000000 - - - CH3:1 OH:1 - CH2:1 H2O:1 - - - - - OH + CH3 [=] CH2(S) + H2O - - - 6.440000E+14 - -1.3400000000000001 - 1417.000000 - - - CH3:1 OH:1 - CH2(S):1 H2O:1 - - - - - OH + CH4 [=] CH3 + H2O - - - 1.000000E+05 - 1.6000000000000001 - 3120.000000 - - - CH4:1 OH:1 - H2O:1 CH3:1 - - - - - OH + CO [=] H + CO2 - - - 4.760000E+04 - 1.228 - 70.000000 - - - CO:1 OH:1 - H:1 CO2:1 - - - - - OH + HCO [=] H2O + CO - - - 5.000000E+10 - 0 - 0.000000 - - - HCO:1 OH:1 - H2O:1 CO:1 - - - - - OH + CH2O [=] HCO + H2O - - - 3.430000E+06 - 1.1799999999999999 - -447.000000 - - - CH2O:1 OH:1 - H2O:1 HCO:1 - - - - - OH + CH2OH [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH2OH:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3O [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH3O:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3OH [=] CH2OH + H2O - - - 1.440000E+03 - 2 - -840.000000 - - - CH3OH:1 OH:1 - CH2OH:1 H2O:1 - - - - - OH + CH3OH [=] CH3O + H2O - - - 6.300000E+03 - 2 - 1500.000000 - - - CH3OH:1 OH:1 - H2O:1 CH3O:1 - - - - - OH + C2H [=] H + HCCO - - - 2.000000E+10 - 0 - 0.000000 - - - C2H:1 OH:1 - H:1 HCCO:1 - - - - - OH + C2H2 [=] H + CH2CO - - - 2.180000E-07 - 4.5 - -1000.000000 - - - C2H2:1 OH:1 - H:1 CH2CO:1 - - - - - OH + C2H2 [=] H + HCCOH - - - 5.040000E+02 - 2.2999999999999998 - 13500.000000 - - - C2H2:1 OH:1 - H:1 HCCOH:1 - - - - - OH + C2H2 [=] C2H + H2O - - - 3.370000E+04 - 2 - 14000.000000 - - - C2H2:1 OH:1 - C2H:1 H2O:1 - - - - - OH + C2H2 [=] CH3 + CO - - - 4.830000E-07 - 4 - -2000.000000 - - - C2H2:1 OH:1 - CH3:1 CO:1 - - - - - OH + C2H3 [=] H2O + C2H2 - - - 5.000000E+09 - 0 - 0.000000 - - - C2H3:1 OH:1 - H2O:1 C2H2:1 - - - - - OH + C2H4 [=] C2H3 + H2O - - - 3.600000E+03 - 2 - 2500.000000 - - - C2H4:1 OH:1 - H2O:1 C2H3:1 - - - - - OH + C2H6 [=] C2H5 + H2O - - - 3.540000E+03 - 2.1200000000000001 - 870.000000 - - - C2H6:1 OH:1 - C2H5:1 H2O:1 - - - - - OH + CH2CO [=] HCCO + H2O - - - 7.500000E+09 - 0 - 2000.000000 - - - CH2CO:1 OH:1 - H2O:1 HCCO:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 1.300000E+08 - 0 - -1630.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 4.200000E+11 - 0 - 12000.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - HO2 + CH2 [=] OH + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 HO2:1 - CH2O:1 OH:1 - - - - - HO2 + CH3 [=] O2 + CH4 - - - 1.000000E+09 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH4:1 O2:1 - - - - - HO2 + CH3 [=] OH + CH3O - - - 3.780000E+10 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH3O:1 OH:1 - - - - - HO2 + CO [=] OH + CO2 - - - 1.500000E+11 - 0 - 23600.000000 - - - CO:1 HO2:1 - CO2:1 OH:1 - - - - - HO2 + CH2O [=] HCO + H2O2 - - - 5.600000E+03 - 2 - 12000.000000 - - - CH2O:1 HO2:1 - HCO:1 H2O2:1 - - - - - C + O2 [=] O + CO - - - 5.800000E+10 - 0 - 576.000000 - - - C:1 O2:1 - CO:1 O:1 - - - - - C + CH2 [=] H + C2H - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH2:1 - H:1 C2H:1 - - - - - C + CH3 [=] H + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH3:1 - H:1 C2H2:1 - - - - - CH + O2 [=] O + HCO - - - 6.710000E+10 - 0 - 0.000000 - - - CH:1 O2:1 - HCO:1 O:1 - - - - - CH + H2 [=] H + CH2 - - - 1.080000E+11 - 0 - 3110.000000 - - - H2:1 CH:1 - H:1 CH2:1 - - - - - CH + H2O [=] H + CH2O - - - 5.710000E+09 - 0 - -755.000000 - - - H2O:1 CH:1 - CH2O:1 H:1 - - - - - CH + CH2 [=] H + C2H2 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH:1 - H:1 C2H2:1 - - - - - CH + CH3 [=] H + C2H3 - - - 3.000000E+10 - 0 - 0.000000 - - - CH3:1 CH:1 - H:1 C2H3:1 - - - - - CH + CH4 [=] H + C2H4 - - - 6.000000E+10 - 0 - 0.000000 - - - CH:1 CH4:1 - H:1 C2H4:1 - - - - - CH + CO (+ M) [=] HCCO (+ M) - - - 5.000000E+10 - 0 - 0.000000 - - - 2.690000E+22 - -3.7400000000000002 - 1936.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5757 237 1652 5069 - - CH:1 CO:1 - HCCO:1 - - - - - CH + CO2 [=] HCO + CO - - - 1.900000E+11 - 0 - 15792.000000 - - - CH:1 CO2:1 - CO:1 HCO:1 - - - - - CH + CH2O [=] H + CH2CO - - - 9.460000E+10 - 0 - -515.000000 - - - CH2O:1 CH:1 - H:1 CH2CO:1 - - - - - CH + HCCO [=] CO + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - CH:1 HCCO:1 - CO:1 C2H2:1 - - - - - CH2 + O2 =] OH + H + CO - - - 5.000000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2 + H2 [=] H + CH3 - - - 5.000000E+02 - 2 - 7230.000000 - - - H2:1 CH2:1 - H:1 CH3:1 - - - - - 2 CH2 [=] H2 + C2H2 - - - 1.600000E+12 - 0 - 11944.000000 - - - CH2:2 - H2:1 C2H2:1 - - - - - CH2 + CH3 [=] H + C2H4 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH3:1 - H:1 C2H4:1 - - - - - CH2 + CH4 [=] 2 CH3 - - - 2.460000E+03 - 2 - 8270.000000 - - - CH2:1 CH4:1 - CH3:2 - - - - - CH2 + CO (+ M) [=] CH2CO (+ M) - - - 8.100000E+08 - 0.5 - 4510.000000 - - - 2.690000E+27 - -5.1100000000000003 - 7095.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5907 275 1226 5185 - - CH2:1 CO:1 - CH2CO:1 - - - - - CH2 + HCCO [=] C2H3 + CO - - - 3.000000E+10 - 0 - 0.000000 - - - CH2:1 HCCO:1 - CO:1 C2H3:1 - - - - - CH2(S) + N2 [=] CH2 + N2 - - - 1.500000E+10 - 0 - 600.000000 - - - CH2(S):1 N2:1 - CH2:1 N2:1 - - - - - CH2(S) + AR [=] CH2 + AR - - - 9.000000E+09 - 0 - 600.000000 - - - CH2(S):1 AR:1 - CH2:1 AR:1 - - - - - CH2(S) + O2 [=] H + OH + CO - - - 2.800000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2(S) + O2 [=] CO + H2O - - - 1.200000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H2O:1 CO:1 - - - - - CH2(S) + H2 [=] CH3 + H - - - 7.000000E+10 - 0 - 0.000000 - - - H2:1 CH2(S):1 - H:1 CH3:1 - - - - - CH2(S) + H2O (+ M) [=] CH3OH (+ M) - - - 4.820000E+14 - -1.1599999999999999 - 1145.000000 - - - 1.880000E+32 - -6.3600000000000003 - 5040.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6027 208 3922 10180 - - CH2(S):1 H2O:1 - CH3OH:1 - - - - - CH2(S) + H2O [=] CH2 + H2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 H2O:1 - CH2:1 H2O:1 - - - - - CH2(S) + CH3 [=] H + C2H4 - - - 1.200000E+10 - 0 - -570.000000 - - - CH2(S):1 CH3:1 - H:1 C2H4:1 - - - - - CH2(S) + CH4 [=] 2 CH3 - - - 1.600000E+10 - 0 - -570.000000 - - - CH2(S):1 CH4:1 - CH3:2 - - - - - CH2(S) + CO [=] CH2 + CO - - - 9.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO:1 - CH2:1 CO:1 - - - - - CH2(S) + CO2 [=] CH2 + CO2 - - - 7.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2:1 CO2:1 - - - - - CH2(S) + CO2 [=] CO + CH2O - - - 1.400000E+10 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2O:1 CO:1 - - - - - CH2(S) + C2H6 [=] CH3 + C2H5 - - - 4.000000E+10 - 0 - -550.000000 - - - CH2(S):1 C2H6:1 - C2H5:1 CH3:1 - - - - - CH3 + O2 [=] O + CH3O - - - 3.560000E+10 - 0 - 30480.000000 - - - CH3:1 O2:1 - CH3O:1 O:1 - - - - - CH3 + O2 [=] OH + CH2O - - - 2.310000E+09 - 0 - 20315.000000 - - - CH3:1 O2:1 - CH2O:1 OH:1 - - - - - CH3 + H2O2 [=] HO2 + CH4 - - - 2.450000E+01 - 2.4700000000000002 - 5180.000000 - - - CH3:1 H2O2:1 - CH4:1 HO2:1 - - - - - 2 CH3 (+ M) [=] C2H6 (+ M) - - - 6.770000E+13 - -1.1799999999999999 - 654.000000 - - - 3.400000E+35 - -7.0300000000000002 - 2762.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.619 73.2 1180 9999 - - CH3:2 - C2H6:1 - - - - - 2 CH3 [=] H + C2H5 - - - 6.840000E+09 - 0.10000000000000001 - 10600.000000 - - - CH3:2 - H:1 C2H5:1 - - - - - CH3 + HCO [=] CH4 + CO - - - 2.648000E+10 - 0 - 0.000000 - - - CH3:1 HCO:1 - CO:1 CH4:1 - - - - - CH3 + CH2O [=] HCO + CH4 - - - 3.320000E+00 - 2.8100000000000001 - 5860.000000 - - - CH2O:1 CH3:1 - CH4:1 HCO:1 - - - - - CH3 + CH3OH [=] CH2OH + CH4 - - - 3.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH2OH:1 CH4:1 - - - - - CH3 + CH3OH [=] CH3O + CH4 - - - 1.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH3O:1 CH4:1 - - - - - CH3 + C2H4 [=] C2H3 + CH4 - - - 2.270000E+02 - 2 - 9200.000000 - - - CH3:1 C2H4:1 - CH4:1 C2H3:1 - - - - - CH3 + C2H6 [=] C2H5 + CH4 - - - 6.140000E+03 - 1.74 - 10450.000000 - - - C2H6:1 CH3:1 - C2H5:1 CH4:1 - - - - - HCO + H2O [=] H + CO + H2O - - - 1.500000E+15 - -1 - 17000.000000 - - - H2O:1 HCO:1 - H:1 H2O:1 CO:1 - - - - - HCO + M [=] H + CO + M - - - 1.870000E+14 - -1 - 17000.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 - - HCO:1 - H:1 CO:1 - - - - - HCO + O2 [=] HO2 + CO - - - 1.345000E+10 - 0 - 400.000000 - - - HCO:1 O2:1 - CO:1 HO2:1 - - - - - CH2OH + O2 [=] HO2 + CH2O - - - 1.800000E+10 - 0 - 900.000000 - - - CH2OH:1 O2:1 - CH2O:1 HO2:1 - - - - - CH3O + O2 [=] HO2 + CH2O - - - 4.280000E-16 - 7.5999999999999996 - -3530.000000 - - - CH3O:1 O2:1 - CH2O:1 HO2:1 - - - - - C2H + O2 [=] HCO + CO - - - 1.000000E+10 - 0 - -755.000000 - - - C2H:1 O2:1 - CO:1 HCO:1 - - - - - C2H + H2 [=] H + C2H2 - - - 5.680000E+07 - 0.90000000000000002 - 1993.000000 - - - H2:1 C2H:1 - H:1 C2H2:1 - - - - - C2H3 + O2 [=] HCO + CH2O - - - 4.580000E+13 - -1.3899999999999999 - 1015.000000 - - - C2H3:1 O2:1 - CH2O:1 HCO:1 - - - - - C2H4 (+ M) [=] H2 + C2H2 (+ M) - - - 8.000000E+12 - 0.44 - 86770.000000 - - - 1.580000E+48 - -9.3000000000000007 - 97800.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7345 180 1035 5417 - - C2H4:1 - H2:1 C2H2:1 - - - - - C2H5 + O2 [=] HO2 + C2H4 - - - 8.400000E+08 - 0 - 3875.000000 - - - C2H5:1 O2:1 - C2H4:1 HO2:1 - - - - - HCCO + O2 [=] OH + 2 CO - - - 3.200000E+09 - 0 - 854.000000 - - - HCCO:1 O2:1 - CO:2 OH:1 - - - - - 2 HCCO [=] 2 CO + C2H2 - - - 1.000000E+10 - 0 - 0.000000 - - - HCCO:2 - CO:2 C2H2:1 - - - - - N + NO [=] N2 + O - - - 2.700000E+10 - 0 - 355.000000 - - - NO:1 N:1 - N2:1 O:1 - - - - - N + O2 [=] NO + O - - - 9.000000E+06 - 1 - 6500.000000 - - - O2:1 N:1 - O:1 NO:1 - - - - - N + OH [=] NO + H - - - 3.360000E+10 - 0 - 385.000000 - - - OH:1 N:1 - H:1 NO:1 - - - - - N2O + O [=] N2 + O2 - - - 1.400000E+09 - 0 - 10810.000000 - - - N2O:1 O:1 - N2:1 O2:1 - - - - - N2O + O [=] 2 NO - - - 2.900000E+10 - 0 - 23150.000000 - - - N2O:1 O:1 - NO:2 - - - - - N2O + H [=] N2 + OH - - - 3.870000E+11 - 0 - 18880.000000 - - - H:1 N2O:1 - N2:1 OH:1 - - - - - N2O + OH [=] N2 + HO2 - - - 2.000000E+09 - 0 - 21060.000000 - - - N2O:1 OH:1 - N2:1 HO2:1 - - - - - N2O (+ M) [=] N2 + O (+ M) - - - 7.910000E+10 - 0 - 56020.000000 - - - 6.370000E+11 - 0 - 56640.000000 - - AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - N2O:1 - N2:1 O:1 - - - - - HO2 + NO [=] NO2 + OH - - - 2.110000E+09 - 0 - -480.000000 - - - HO2:1 NO:1 - NO2:1 OH:1 - - - - - NO + O + M [=] NO2 + M - - - 1.060000E+14 - -1.4099999999999999 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - O:1 NO:1 - NO2:1 - - - - - NO2 + O [=] NO + O2 - - - 3.900000E+09 - 0 - -240.000000 - - - O:1 NO2:1 - O2:1 NO:1 - - - - - NO2 + H [=] NO + OH - - - 1.320000E+11 - 0 - 360.000000 - - - H:1 NO2:1 - OH:1 NO:1 - - - - - NH + O [=] NO + H - - - 4.000000E+10 - 0 - 0.000000 - - - NH:1 O:1 - H:1 NO:1 - - - - - NH + H [=] N + H2 - - - 3.200000E+10 - 0 - 330.000000 - - - NH:1 H:1 - H2:1 N:1 - - - - - NH + OH [=] HNO + H - - - 2.000000E+10 - 0 - 0.000000 - - - NH:1 OH:1 - H:1 HNO:1 - - - - - NH + OH [=] N + H2O - - - 2.000000E+06 - 1.2 - 0.000000 - - - NH:1 OH:1 - H2O:1 N:1 - - - - - NH + O2 [=] HNO + O - - - 4.610000E+02 - 2 - 6500.000000 - - - NH:1 O2:1 - O:1 HNO:1 - - - - - NH + O2 [=] NO + OH - - - 1.280000E+03 - 1.5 - 100.000000 - - - NH:1 O2:1 - OH:1 NO:1 - - - - - NH + N [=] N2 + H - - - 1.500000E+10 - 0 - 0.000000 - - - NH:1 N:1 - H:1 N2:1 - - - - - NH + H2O [=] HNO + H2 - - - 2.000000E+10 - 0 - 13850.000000 - - - NH:1 H2O:1 - H2:1 HNO:1 - - - - - NH + NO [=] N2 + OH - - - 2.160000E+10 - -0.23000000000000001 - 0.000000 - - - NH:1 NO:1 - N2:1 OH:1 - - - - - NH + NO [=] N2O + H - - - 3.650000E+11 - -0.45000000000000001 - 0.000000 - - - NH:1 NO:1 - H:1 N2O:1 - - - - - NH2 + O [=] OH + NH - - - 3.000000E+09 - 0 - 0.000000 - - - O:1 NH2:1 - NH:1 OH:1 - - - - - NH2 + O [=] H + HNO - - - 3.900000E+10 - 0 - 0.000000 - - - O:1 NH2:1 - H:1 HNO:1 - - - - - NH2 + H [=] NH + H2 - - - 4.000000E+10 - 0 - 3650.000000 - - - H:1 NH2:1 - NH:1 H2:1 - - - - - NH2 + OH [=] NH + H2O - - - 9.000000E+04 - 1.5 - -460.000000 - - - OH:1 NH2:1 - NH:1 H2O:1 - - - - - NNH [=] N2 + H - - - 3.300000E+08 - 0 - 0.000000 - - - NNH:1 - H:1 N2:1 - - - - - NNH + M [=] N2 + H + M - - - 1.300000E+11 - -0.11 - 4980.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NNH:1 - H:1 N2:1 - - - - - NNH + O2 [=] HO2 + N2 - - - 5.000000E+09 - 0 - 0.000000 - - - O2:1 NNH:1 - N2:1 HO2:1 - - - - - NNH + O [=] OH + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - N2:1 OH:1 - - - - - NNH + O [=] NH + NO - - - 7.000000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - NH:1 NO:1 - - - - - NNH + H [=] H2 + N2 - - - 5.000000E+10 - 0 - 0.000000 - - - H:1 NNH:1 - H2:1 N2:1 - - - - - NNH + OH [=] H2O + N2 - - - 2.000000E+10 - 0 - 0.000000 - - - OH:1 NNH:1 - H2O:1 N2:1 - - - - - NNH + CH3 [=] CH4 + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - CH3:1 NNH:1 - N2:1 CH4:1 - - - - - H + NO + M [=] HNO + M - - - 4.480000E+13 - -1.3200000000000001 - 740.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 NO:1 - HNO:1 - - - - - HNO + O [=] NO + OH - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 HNO:1 - OH:1 NO:1 - - - - - HNO + H [=] H2 + NO - - - 9.000000E+08 - 0.71999999999999997 - 660.000000 - - - H:1 HNO:1 - H2:1 NO:1 - - - - - HNO + OH [=] NO + H2O - - - 1.300000E+04 - 1.8999999999999999 - -950.000000 - - - HNO:1 OH:1 - H2O:1 NO:1 - - - - - HNO + O2 [=] HO2 + NO - - - 1.000000E+10 - 0 - 13000.000000 - - - O2:1 HNO:1 - HO2:1 NO:1 - - - - - CN + O [=] CO + N - - - 7.700000E+10 - 0 - 0.000000 - - - CN:1 O:1 - CO:1 N:1 - - - - - CN + OH [=] NCO + H - - - 4.000000E+10 - 0 - 0.000000 - - - CN:1 OH:1 - H:1 NCO:1 - - - - - CN + H2O [=] HCN + OH - - - 8.000000E+09 - 0 - 7460.000000 - - - H2O:1 CN:1 - HCN:1 OH:1 - - - - - CN + O2 [=] NCO + O - - - 6.140000E+09 - 0 - -440.000000 - - - CN:1 O2:1 - O:1 NCO:1 - - - - - CN + H2 [=] HCN + H - - - 2.950000E+02 - 2.4500000000000002 - 2240.000000 - - - H2:1 CN:1 - H:1 HCN:1 - - - - - NCO + O [=] NO + CO - - - 2.350000E+10 - 0 - 0.000000 - - - O:1 NCO:1 - CO:1 NO:1 - - - - - NCO + H [=] NH + CO - - - 5.400000E+10 - 0 - 0.000000 - - - H:1 NCO:1 - NH:1 CO:1 - - - - - NCO + OH [=] NO + H + CO - - - 2.500000E+09 - 0 - 0.000000 - - - OH:1 NCO:1 - H:1 CO:1 NO:1 - - - - - NCO + N [=] N2 + CO - - - 2.000000E+10 - 0 - 0.000000 - - - N:1 NCO:1 - N2:1 CO:1 - - - - - NCO + O2 [=] NO + CO2 - - - 2.000000E+09 - 0 - 20000.000000 - - - O2:1 NCO:1 - CO2:1 NO:1 - - - - - NCO + M [=] N + CO + M - - - 3.100000E+11 - 0 - 54050.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NCO:1 - CO:1 N:1 - - - - - NCO + NO [=] N2O + CO - - - 1.900000E+14 - -1.52 - 740.000000 - - - NO:1 NCO:1 - CO:1 N2O:1 - - - - - NCO + NO [=] N2 + CO2 - - - 3.800000E+15 - -2 - 800.000000 - - - NO:1 NCO:1 - N2:1 CO2:1 - - - - - HCN + M [=] H + CN + M - - - 1.040000E+26 - -3.2999999999999998 - 126600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HCN:1 - H:1 CN:1 - - - - - HCN + O [=] NCO + H - - - 2.030000E+01 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - H:1 NCO:1 - - - - - HCN + O [=] NH + CO - - - 5.070000E+00 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - NH:1 CO:1 - - - - - HCN + O [=] CN + OH - - - 3.910000E+06 - 1.5800000000000001 - 26600.000000 - - - HCN:1 O:1 - CN:1 OH:1 - - - - - HCN + OH [=] HOCN + H - - - 1.100000E+03 - 2.0299999999999998 - 13370.000000 - - - HCN:1 OH:1 - HOCN:1 H:1 - - - - - HCN + OH [=] HNCO + H - - - 4.400000E+00 - 2.2599999999999998 - 6400.000000 - - - HCN:1 OH:1 - HNCO:1 H:1 - - - - - HCN + OH [=] NH2 + CO - - - 1.600000E-01 - 2.5600000000000001 - 9000.000000 - - - HCN:1 OH:1 - CO:1 NH2:1 - - - - - H + HCN (+ M) [=] H2CN (+ M) - - - 3.300000E+10 - 0 - 0.000000 - - - 1.400000E+20 - -3.3999999999999999 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - H:1 HCN:1 - H2CN:1 - - - - - H2CN + N [=] N2 + CH2 - - - 6.000000E+10 - 0 - 400.000000 - - - H2CN:1 N:1 - N2:1 CH2:1 - - - - - C + N2 [=] CN + N - - - 6.300000E+10 - 0 - 46020.000000 - - - C:1 N2:1 - CN:1 N:1 - - - - - CH + N2 [=] HCN + N - - - 3.120000E+06 - 0.88 - 20130.000000 - - - N2:1 CH:1 - HCN:1 N:1 - - - - - CH + N2 (+ M) [=] HCNN (+ M) - - - 3.100000E+09 - 0.14999999999999999 - 0.000000 - - - 1.300000E+19 - -3.1600000000000001 - 740.000000 - - AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.667 235 2117 4536 - - N2:1 CH:1 - HCNN:1 - - - - - CH2 + N2 [=] HCN + NH - - - 1.000000E+10 - 0 - 74000.000000 - - - CH2:1 N2:1 - NH:1 HCN:1 - - - - - CH2(S) + N2 [=] NH + HCN - - - 1.000000E+08 - 0 - 65000.000000 - - - CH2(S):1 N2:1 - NH:1 HCN:1 - - - - - C + NO [=] CN + O - - - 1.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CN:1 O:1 - - - - - C + NO [=] CO + N - - - 2.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CO:1 N:1 - - - - - CH + NO [=] HCN + O - - - 4.100000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCN:1 O:1 - - - - - CH + NO [=] H + NCO - - - 1.620000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - H:1 NCO:1 - - - - - CH + NO [=] N + HCO - - - 2.460000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCO:1 N:1 - - - - - CH2 + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2:1 NO:1 - HNCO:1 H:1 - - - - - CH2 + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2:1 NO:1 - HCN:1 OH:1 - - - - - CH2 + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2:1 NO:1 - H:1 HCNO:1 - - - - - CH2(S) + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2(S):1 NO:1 - HNCO:1 H:1 - - - - - CH2(S) + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2(S):1 NO:1 - HCN:1 OH:1 - - - - - CH2(S) + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2(S):1 NO:1 - H:1 HCNO:1 - - - - - CH3 + NO [=] HCN + H2O - - - 9.600000E+10 - 0 - 28800.000000 - - - CH3:1 NO:1 - H2O:1 HCN:1 - - - - - CH3 + NO [=] H2CN + OH - - - 1.000000E+09 - 0 - 21750.000000 - - - CH3:1 NO:1 - H2CN:1 OH:1 - - - - - HCNN + O [=] CO + H + N2 - - - 2.200000E+10 - 0 - 0.000000 - - - O:1 HCNN:1 - H:1 N2:1 CO:1 - - - - - HCNN + O [=] HCN + NO - - - 2.000000E+09 - 0 - 0.000000 - - - O:1 HCNN:1 - HCN:1 NO:1 - - - - - HCNN + O2 [=] O + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - O2:1 HCNN:1 - N2:1 HCO:1 O:1 - - - - - HCNN + OH [=] H + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - OH:1 HCNN:1 - H:1 N2:1 HCO:1 - - - - - HCNN + H [=] CH2 + N2 - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCNN:1 - CH2:1 N2:1 - - - - - HNCO + O [=] NH + CO2 - - - 9.800000E+04 - 1.4099999999999999 - 8500.000000 - - - HNCO:1 O:1 - NH:1 CO2:1 - - - - - HNCO + O [=] HNO + CO - - - 1.500000E+05 - 1.5700000000000001 - 44000.000000 - - - HNCO:1 O:1 - CO:1 HNO:1 - - - - - HNCO + O [=] NCO + OH - - - 2.200000E+03 - 2.1099999999999999 - 11400.000000 - - - HNCO:1 O:1 - OH:1 NCO:1 - - - - - HNCO + H [=] NH2 + CO - - - 2.250000E+04 - 1.7 - 3800.000000 - - - HNCO:1 H:1 - CO:1 NH2:1 - - - - - HNCO + H [=] H2 + NCO - - - 1.050000E+02 - 2.5 - 13300.000000 - - - HNCO:1 H:1 - H2:1 NCO:1 - - - - - HNCO + OH [=] NCO + H2O - - - 3.300000E+04 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - H2O:1 NCO:1 - - - - - HNCO + OH [=] NH2 + CO2 - - - 3.300000E+03 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - CO2:1 NH2:1 - - - - - HNCO + M [=] NH + CO + M - - - 1.180000E+13 - 0 - 84720.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HNCO:1 - NH:1 CO:1 - - - - - HCNO + H [=] H + HNCO - - - 2.100000E+12 - -0.68999999999999995 - 2850.000000 - - - H:1 HCNO:1 - HNCO:1 H:1 - - - - - HCNO + H [=] OH + HCN - - - 2.700000E+08 - 0.17999999999999999 - 2120.000000 - - - H:1 HCNO:1 - HCN:1 OH:1 - - - - - HCNO + H [=] NH2 + CO - - - 1.700000E+11 - -0.75 - 2890.000000 - - - H:1 HCNO:1 - CO:1 NH2:1 - - - - - HOCN + H [=] H + HNCO - - - 2.000000E+04 - 2 - 2000.000000 - - - HOCN:1 H:1 - HNCO:1 H:1 - - - - - HCCO + NO [=] HCNO + CO - - - 9.000000E+09 - 0 - 0.000000 - - - HCCO:1 NO:1 - CO:1 HCNO:1 - - - - - CH3 + N [=] H2CN + H - - - 6.100000E+11 - -0.31 - 290.000000 - - - CH3:1 N:1 - H:1 H2CN:1 - - - - - CH3 + N [=] HCN + H2 - - - 3.700000E+09 - 0.14999999999999999 - -90.000000 - - - CH3:1 N:1 - H2:1 HCN:1 - - - - - NH3 + H [=] NH2 + H2 - - - 5.400000E+02 - 2.3999999999999999 - 9915.000000 - - - H:1 NH3:1 - H2:1 NH2:1 - - - - - NH3 + OH [=] NH2 + H2O - - - 5.000000E+04 - 1.6000000000000001 - 955.000000 - - - NH3:1 OH:1 - H2O:1 NH2:1 - - - - - NH3 + O [=] NH2 + OH - - - 9.400000E+03 - 1.9399999999999999 - 6460.000000 - - - O:1 NH3:1 - OH:1 NH2:1 - - - - - NH + CO2 [=] HNO + CO - - - 1.000000E+10 - 0 - 14350.000000 - - - NH:1 CO2:1 - CO:1 HNO:1 - - - - - CN + NO2 [=] NCO + NO - - - 6.160000E+12 - -0.752 - 345.000000 - - - CN:1 NO2:1 - NO:1 NCO:1 - - - - - NCO + NO2 [=] N2O + CO2 - - - 3.250000E+09 - 0 - -705.000000 - - - NO2:1 NCO:1 - CO2:1 N2O:1 - - - - - N + CO2 [=] NO + CO - - - 3.000000E+09 - 0 - 11300.000000 - - - CO2:1 N:1 - CO:1 NO:1 - - - - - O + CH3 =] H + H2 + CO - - - 3.370000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - H2:1 H:1 CO:1 - - - - - O + C2H4 [=] H + CH2CHO - - - 6.700000E+03 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - H:1 CH2CHO:1 - - - - - O + C2H5 [=] H + CH3CHO - - - 1.096000E+11 - 0 - 0.000000 - - - C2H5:1 O:1 - H:1 CH3CHO:1 - - - - - OH + HO2 [=] O2 + H2O - - - 5.000000E+12 - 0 - 17330.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + CH3 =] H2 + CH2O - - - 8.000000E+06 - 0.5 - -1755.000000 - - - CH3:1 OH:1 - H2:1 CH2O:1 - - - - - CH + H2 (+ M) [=] CH3 (+ M) - - - 1.970000E+09 - 0.42999999999999999 - -370.000000 - - - 4.820000E+19 - -2.7999999999999998 - 590.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.578 122 2535 9365 - - H2:1 CH:1 - CH3:1 - - - - - CH2 + O2 =] 2 H + CO2 - - - 5.800000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:2 CO2:1 - - - - - CH2 + O2 [=] O + CH2O - - - 2.400000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - CH2O:1 O:1 - - - - - CH2 + CH2 =] 2 H + C2H2 - - - 2.000000E+11 - 0 - 10989.000000 - - - CH2:2 - H:2 C2H2:1 - - - - - CH2(S) + H2O =] H2 + CH2O - - - 6.820000E+07 - 0.25 - -935.000000 - - - CH2(S):1 H2O:1 - H2:1 CH2O:1 - - - - - C2H3 + O2 [=] O + CH2CHO - - - 3.030000E+08 - 0.28999999999999998 - 11.000000 - - - C2H3:1 O2:1 - CH2CHO:1 O:1 - - - - - C2H3 + O2 [=] HO2 + C2H2 - - - 1.337000E+03 - 1.6100000000000001 - -384.000000 - - - C2H3:1 O2:1 - HO2:1 C2H2:1 - - - - - O + CH3CHO [=] OH + CH2CHO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH2CHO:1 OH:1 - - - - - O + CH3CHO =] OH + CH3 + CO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH3:1 CO:1 OH:1 - - - - - O2 + CH3CHO =] HO2 + CH3 + CO - - - 3.010000E+10 - 0 - 39150.000000 - - - CH3CHO:1 O2:1 - CO:1 CH3:1 HO2:1 - - - - - H + CH3CHO [=] CH2CHO + H2 - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH2CHO:1 - - - - - H + CH3CHO =] CH3 + H2 + CO - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH3:1 CO:1 - - - - - OH + CH3CHO =] CH3 + H2O + CO - - - 2.343000E+07 - 0.72999999999999998 - -1113.000000 - - - CH3CHO:1 OH:1 - H2O:1 CH3:1 CO:1 - - - - - HO2 + CH3CHO =] CH3 + H2O2 + CO - - - 3.010000E+09 - 0 - 11923.000000 - - - CH3CHO:1 HO2:1 - CH3:1 CO:1 H2O2:1 - - - - - CH3 + CH3CHO =] CH3 + CH4 + CO - - - 2.720000E+03 - 1.77 - 5920.000000 - - - CH3CHO:1 CH3:1 - CO:1 CH3:1 CH4:1 - - - - - H + CH2CO (+ M) [=] CH2CHO (+ M) - - - 4.865000E+08 - 0.42199999999999999 - -1755.000000 - - - 1.012000E+36 - -7.6299999999999999 - 3854.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.465 201 1773 5333 - - H:1 CH2CO:1 - CH2CHO:1 - - - - - O + CH2CHO =] H + CH2 + CO2 - - - 1.500000E+11 - 0 - 0.000000 - - - CH2CHO:1 O:1 - H:1 CH2:1 CO2:1 - - - - - O2 + CH2CHO =] OH + CO + CH2O - - - 1.810000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - CH2O:1 CO:1 OH:1 - - - - - O2 + CH2CHO =] OH + 2 HCO - - - 2.350000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - HCO:2 OH:1 - - - - - H + CH2CHO [=] CH3 + HCO - - - 2.200000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - CH3:1 HCO:1 - - - - - H + CH2CHO [=] CH2CO + H2 - - - 1.100000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - H2:1 CH2CO:1 - - - - - OH + CH2CHO [=] H2O + CH2CO - - - 1.200000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - H2O:1 CH2CO:1 - - - - - OH + CH2CHO [=] HCO + CH2OH - - - 3.010000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - CH2OH:1 HCO:1 - - - - - CH3 + C2H5 (+ M) [=] C3H8 (+ M) - - - 9.430000E+09 - 0 - 0.000000 - - - 2.710000E+68 - -16.82 - 13065.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1527 291 2742 7748 - - C2H5:1 CH3:1 - C3H8:1 - - - - - O + C3H8 [=] OH + C3H7 - - - 1.930000E+02 - 2.6800000000000002 - 3716.000000 - - - C3H8:1 O:1 - C3H7:1 OH:1 - - - - - H + C3H8 [=] C3H7 + H2 - - - 1.320000E+03 - 2.54 - 6756.000000 - - - H:1 C3H8:1 - H2:1 C3H7:1 - - - - - OH + C3H8 [=] C3H7 + H2O - - - 3.160000E+04 - 1.8 - 934.000000 - - - C3H8:1 OH:1 - C3H7:1 H2O:1 - - - - - C3H7 + H2O2 [=] HO2 + C3H8 - - - 3.780000E-01 - 2.7200000000000002 - 1500.000000 - - - C3H7:1 H2O2:1 - HO2:1 C3H8:1 - - - - - CH3 + C3H8 [=] C3H7 + CH4 - - - 9.030000E-04 - 3.6499999999999999 - 7154.000000 - - - CH3:1 C3H8:1 - C3H7:1 CH4:1 - - - - - CH3 + C2H4 (+ M) [=] C3H7 (+ M) - - - 2.550000E+03 - 1.6000000000000001 - 5700.000000 - - - 3.000000E+57 - -14.6 - 18170.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1894 277 8748 7891 - - CH3:1 C2H4:1 - C3H7:1 - - - - - O + C3H7 [=] C2H5 + CH2O - - - 9.640000E+10 - 0 - 0.000000 - - - C3H7:1 O:1 - CH2O:1 C2H5:1 - - - - - H + C3H7 (+ M) [=] C3H8 (+ M) - - - 3.613000E+10 - 0 - 0.000000 - - - 4.420000E+55 - -13.545 - 11357.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.315 369 3285 6667 - - H:1 C3H7:1 - C3H8:1 - - - - - H + C3H7 [=] CH3 + C2H5 - - - 4.060000E+03 - 2.1899999999999999 - 890.000000 - - - H:1 C3H7:1 - C2H5:1 CH3:1 - - - - - OH + C3H7 [=] C2H5 + CH2OH - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 OH:1 - CH2OH:1 C2H5:1 - - - - - HO2 + C3H7 [=] O2 + C3H8 - - - 2.550000E+07 - 0.255 - -943.000000 - - - C3H7:1 HO2:1 - O2:1 C3H8:1 - - - - - HO2 + C3H7 =] OH + C2H5 + CH2O - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 HO2:1 - CH2O:1 C2H5:1 OH:1 - - - - - CH3 + C3H7 [=] 2 C2H5 - - - 1.927000E+10 - -0.32000000000000001 - 0.000000 - - - C3H7:1 CH3:1 - C2H5:2 - - - diff --git a/test_problems/cxx_ex/gri30.xml b/test_problems/cxx_ex/gri30.xml deleted file mode 100644 index 49e95139e..000000000 --- a/test_problems/cxx_ex/gri30.xml +++ /dev/null @@ -1,6213 +0,0 @@ - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - - - - H:2 - TPIS78 - - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 - - - - - - H:1 - L 7/88 - - - - 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 - - - - 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 - - - - atom - 145.000 - 2.050 - 0.000 - 0.000 - 0.000 - - - - - - O:1 - L 1/90 - - - - 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 - - - - 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, - 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 - - - - atom - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - O:2 - TPIS89 - - - - 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 - - - - 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 - - - - linear - 107.400 - 3.460 - 0.000 - 1.600 - 3.800 - - - - - - H:1 O:1 - RUS 78 - - - - 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 - - - - 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, - 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 O:1 - L 8/89 - - - - 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 - - - - 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 - - - - nonlinear - 572.400 - 2.600 - 1.840 - 0.000 - 4.000 - - - - - - H:1 O:2 - L 5/89 - - - - 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 - - - - 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, - -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 1.000 - - - - - - H:2 O:2 - L 7/88 - - - - 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, - 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 - - - - 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, - -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 3.800 - - - - - - C:1 - L11/88 - - - - 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, - 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 - - - - 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, - -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 C:1 - TPIS79 - - - - 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, - -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 - - - - 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, - 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, - 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 - - - - 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, - -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, - 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 - - - - 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, - -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:3 C:1 - L11/89 - - - - 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, - 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 - - - - 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, - -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:4 C:1 - L 8/88 - - - - 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, - 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 - - - - 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, - -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 - - - - nonlinear - 141.400 - 3.750 - 0.000 - 2.600 - 13.000 - - - - - - C:1 O:1 - TPIS79 - - - - 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, - -9.044244990E-13, -1.434408600E+04, 3.508409280E+00 - - - - 2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10, - -2.036477160E-14, -1.415187240E+04, 7.818687720E+00 - - - - linear - 98.100 - 3.650 - 0.000 - 1.950 - 1.800 - - - - - - C:1 O:2 - L 7/88 - - - - 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, - -1.436995480E-13, -4.837196970E+04, 9.901052220E+00 - - - - 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, - -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 - - - - linear - 244.000 - 3.760 - 0.000 - 2.650 - 2.100 - - - - - - H:1 C:1 O:1 - L12/89 - - - - 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, - 4.337688650E-12, 3.839564960E+03, 3.394372430E+00 - - - - 2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10, - -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 O:1 - L 8/88 - - - - 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, - 1.317726520E-11, -1.430895670E+04, 6.028129000E-01 - - - - 1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09, - -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - GUNL93 - - - - 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, - 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-1.093315110E-11, 6.683939320E+04, 6.222964380E+00 - - - - 3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10, - -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:2 C:2 - L 1/91 - - - - 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, - -8.500729740E-12, 2.642898070E+04, 1.393970510E+01 - - - - 4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10, - -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:3 C:2 - L 2/92 - - - - 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, - 1.471508730E-11, 3.485984680E+04, 8.510540250E+00 - - - - 3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09, - -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 - - - - nonlinear - 209.000 - 4.100 - 0.000 - 0.000 - 1.000 - - - - - - H:4 C:2 - L 1/91 - - - - 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, - 2.698843730E-11, 5.089775930E+03, 4.097330960E+00 - - - - 2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09, - -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 - - - - nonlinear - 280.800 - 3.970 - 0.000 - 0.000 - 1.500 - - - - - - H:5 C:2 - L12/92 - - - - 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, - 2.305090040E-11, 1.284162650E+04, 4.707209240E+00 - - - - 1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09, - -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:6 C:2 - L 8/88 - - - - 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, - 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 - - - - 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, - -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:1 C:2 O:1 - SRIC91 - - - - 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, - -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 - - - - 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, - -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:2 O:1 - L 5/90 - - - - 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, - -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 - - - - 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, - -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:2 C:2 O:1 - SRI91 - - - - 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, - -1.401459400E-11, 8.031614300E+03, 1.387431900E+01 - - - - 5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10, - -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - N:1 - L 6/88 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 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7.835056400E-12, 2.896617900E+03, 6.311991700E+00 - - - - 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, - -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 - - - - nonlinear - 200.000 - 3.500 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:2 - L 7/88 - - - - 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, - -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 - - - - 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, - -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 O:1 N:1 - And93 - - - - 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, - 5.545457300E-12, 1.154829700E+04, 1.749841700E+00 - - - - 2.979250900E+00, 3.494405900E-03, -7.854977800E-07, 5.747959400E-11, - -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 - - - - nonlinear - 116.700 - 3.490 - 0.000 - 0.000 - 1.000 - - - - - - C:1 N:1 - HBH92 - - - - 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, - -4.643035600E-13, 5.170834000E+04, 3.980499500E+00 - - - - 3.745980500E+00, 4.345077500E-05, 2.970598400E-07, -6.865180600E-11, - 4.413417300E-15, 5.153618800E+04, 2.786760100E+00 - - - - linear - 75.000 - 3.860 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:1 - GRI/98 - - - - 2.258988600E+00, 1.005117000E-02, -1.335176300E-05, 1.009234900E-08, - -3.008902800E-12, 1.471263300E+04, 8.916441900E+00 - - - - 3.802239200E+00, 3.146422800E-03, -1.063218500E-06, 1.661975700E-10, - -9.799757000E-15, 1.440729200E+04, 1.575460100E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:1 N:1 - 41687 - - - - 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, - -2.351108100E-13, 2.863782000E+04, 8.992751100E+00 - - - - 5.209703000E+00, 2.969291100E-03, -2.855589100E-07, -1.635550000E-10, - 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:2 - SRI/94 - - - - 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, - -3.235737800E-12, 5.426198400E+04, 1.167587000E+01 - - - - 5.894636200E+00, 3.989595900E-03, -1.598238000E-06, 2.924939500E-10, - -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, - -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 - - - - 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, - -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, - 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 - - - - 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, - -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, - 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 - - - - 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, - -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - C:1 O:1 N:1 - EA 93 - - - - 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, - -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 - - - - 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, - -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - N:2 - 121286 - - - - 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 - - - - 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, - -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - Ar:1 - 120186 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - atom - 136.500 - 3.330 - 0.000 - 0.000 - 0.000 - - - - - - H:7 C:3 - L 9/84 - - - - 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, - 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 - - - - 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, - -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:8 C:3 - L 4/85 - - - - 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, - 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 - - - - 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, - -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:3 C:2 O:1 - SAND86 - - - - 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, - 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 - - - - 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, - -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:4 C:2 O:1 - L 8/88 - - - - 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, - 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 - - - - 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, - -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - - - 2 O + M [=] O2 + M - - - 1.200000E+11 - -1 - 0.000000 - - AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 - - O:2.0 - O2:1.0 - - - - - O + H + M [=] OH + M - - - 5.000000E+11 - -1 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 O:1.0 - OH:1.0 - - - - - O + H2 [=] H + OH - - - 3.870000E+01 - 2.7000000000000002 - 6260.000000 - - - H2:1 O:1.0 - H:1.0 OH:1 - - - - - O + HO2 [=] OH + O2 - - - 2.000000E+10 - 0 - 0.000000 - - - HO2:1 O:1.0 - O2:1 OH:1.0 - - - - - O + H2O2 [=] OH + HO2 - - - 9.630000E+03 - 2 - 4000.000000 - - - H2O2:1 O:1.0 - HO2:1 OH:1.0 - - - - - O + CH [=] H + CO - - - 5.700000E+10 - 0 - 0.000000 - - - CH:1 O:1.0 - H:1.0 CO:1 - - - - - O + CH2 [=] H + HCO - - - 8.000000E+10 - 0 - 0.000000 - - - CH2:1 O:1.0 - H:1.0 HCO:1 - - - - - O + CH2(S) [=] H2 + CO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1.0 - H2:1.0 CO:1 - - - - - O + CH2(S) [=] H + HCO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1.0 - H:1.0 HCO:1 - - - - - O + CH3 [=] H + CH2O - - - 5.060000E+10 - 0 - 0.000000 - - - CH3:1 O:1.0 - CH2O:1 H:1.0 - - - - - O + CH4 [=] OH + CH3 - - - 1.020000E+06 - 1.5 - 8600.000000 - - - CH4:1 O:1.0 - CH3:1 OH:1.0 - - - - - O + CO (+ M) [=] CO2 (+ M) - - - 1.800000E+07 - 0 - 2385.000000 - - - 6.020000E+08 - 0 - 3000.000000 - - AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 - - - CO:1 O:1.0 - CO2:1.0 - - - - - O + HCO [=] OH + CO - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1.0 - CO:1 OH:1.0 - - - - - O + HCO [=] H + CO2 - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1.0 - H:1.0 CO2:1 - - - - - O + CH2O [=] OH + HCO - - - 3.900000E+10 - 0 - 3540.000000 - - - CH2O:1 O:1.0 - HCO:1 OH:1.0 - - - - - O + CH2OH [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH2OH:1 O:1.0 - CH2O:1 OH:1.0 - - - - - O + CH3O [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH3O:1 O:1.0 - CH2O:1 OH:1.0 - - - - - O + CH3OH [=] OH + CH2OH - - - 3.880000E+02 - 2.5 - 3100.000000 - - - CH3OH:1 O:1.0 - CH2OH:1 OH:1.0 - - - - - O + CH3OH [=] OH + CH3O - - - 1.300000E+02 - 2.5 - 5000.000000 - - - CH3OH:1 O:1.0 - CH3O:1 OH:1.0 - - - - - O + C2H [=] CH + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C2H:1 O:1.0 - CH:1.0 CO:1 - - - - - O + C2H2 [=] H + HCCO - - - 1.350000E+04 - 2 - 1900.000000 - - - C2H2:1 O:1.0 - H:1.0 HCCO:1 - - - - - O + C2H2 [=] OH + C2H - - - 4.600000E+16 - -1.4099999999999999 - 28950.000000 - - - C2H2:1 O:1.0 - C2H:1 OH:1.0 - - - - - O + C2H2 [=] CO + CH2 - - - 6.940000E+03 - 2 - 1900.000000 - - - C2H2:1 O:1.0 - CH2:1 CO:1.0 - - - - - O + C2H3 [=] H + CH2CO - - - 3.000000E+10 - 0 - 0.000000 - - - C2H3:1 O:1.0 - H:1.0 CH2CO:1 - - - - - O + C2H4 [=] CH3 + HCO - - - 1.250000E+04 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1.0 - CH3:1.0 HCO:1 - - - - - O + C2H5 [=] CH3 + CH2O - - - 2.240000E+10 - 0 - 0.000000 - - - C2H5:1 O:1.0 - CH2O:1 CH3:1.0 - - - - - O + C2H6 [=] OH + C2H5 - - - 8.980000E+04 - 1.9199999999999999 - 5690.000000 - - - C2H6:1 O:1.0 - C2H5:1 OH:1.0 - - - - - O + HCCO [=] H + 2 CO - - - 1.000000E+11 - 0 - 0.000000 - - - HCCO:1 O:1.0 - H:1.0 CO:2.0 - - - - - O + CH2CO [=] OH + HCCO - - - 1.000000E+10 - 0 - 8000.000000 - - - CH2CO:1 O:1.0 - HCCO:1 OH:1.0 - - - - - O + CH2CO [=] CH2 + CO2 - - - 1.750000E+09 - 0 - 1350.000000 - - - CH2CO:1 O:1.0 - CH2:1.0 CO2:1 - - - - - O2 + CO [=] O + CO2 - - - 2.500000E+09 - 0 - 47800.000000 - - - CO:1 O2:1.0 - CO2:1 O:1.0 - - - - - O2 + CH2O [=] HO2 + HCO - - - 1.000000E+11 - 0 - 40000.000000 - - - CH2O:1 O2:1.0 - HO2:1.0 HCO:1 - - - - - H + O2 + M [=] HO2 + M - - - 2.800000E+12 - -0.85999999999999999 - 0.000000 - - AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 - - H:1.0 O2:1 - HO2:1.0 - - - - - H + 2 O2 [=] HO2 + O2 - - - 2.080000E+13 - -1.24 - 0.000000 - - - H:1.0 O2:2.0 - HO2:1.0 O2:1 - - - - - H + O2 + H2O [=] HO2 + H2O - - - 1.126000E+13 - -0.76000000000000001 - 0.000000 - - - H:1.0 H2O:1 O2:1 - H2O:1 HO2:1.0 - - - - - H + O2 + N2 [=] HO2 + N2 - - - 2.600000E+13 - -1.24 - 0.000000 - - - H:1.0 N2:1 O2:1 - N2:1 HO2:1.0 - - - - - H + O2 + AR [=] HO2 + AR - - - 7.000000E+11 - -0.80000000000000004 - 0.000000 - - - H:1.0 AR:1 O2:1 - AR:1 HO2:1.0 - - - - - H + O2 [=] O + OH - - - 2.650000E+13 - -0.67069999999999996 - 17041.000000 - - - H:1.0 O2:1 - O:1.0 OH:1 - - - - - 2 H + M [=] H2 + M - - - 1.000000E+12 - -1 - 0.000000 - - AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 - - H:2.0 - H2:1.0 - - - - - 2 H + H2 [=] 2 H2 - - - 9.000000E+10 - -0.59999999999999998 - 0.000000 - - - H2:1 H:2.0 - H2:2.0 - - - - - 2 H + H2O [=] H2 + H2O - - - 6.000000E+13 - -1.25 - 0.000000 - - - H:2.0 H2O:1 - H2:1.0 H2O:1 - - - - - 2 H + CO2 [=] H2 + CO2 - - - 5.500000E+14 - -2 - 0.000000 - - - H:2.0 CO2:1 - H2:1.0 CO2:1 - - - - - H + OH + M [=] H2O + M - - - 2.200000E+16 - -2 - 0.000000 - - AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 - - H:1.0 OH:1 - H2O:1.0 - - - - - H + HO2 [=] O + H2O - - - 3.970000E+09 - 0 - 671.000000 - - - H:1.0 HO2:1 - H2O:1 O:1.0 - - - - - H + HO2 [=] O2 + H2 - - - 4.480000E+10 - 0 - 1068.000000 - - - H:1.0 HO2:1 - H2:1 O2:1.0 - - - - - H + HO2 [=] 2 OH - - - 8.400000E+10 - 0 - 635.000000 - - - H:1.0 HO2:1 - OH:2.0 - - - - - H + H2O2 [=] HO2 + H2 - - - 1.210000E+04 - 2 - 5200.000000 - - - H:1.0 H2O2:1 - H2:1 HO2:1.0 - - - - - H + H2O2 [=] OH + H2O - - - 1.000000E+10 - 0 - 3600.000000 - - - H:1.0 H2O2:1 - H2O:1 OH:1.0 - - - - - H + CH [=] C + H2 - - - 1.650000E+11 - 0 - 0.000000 - - - H:1.0 CH:1 - H2:1 C:1.0 - - - - - H + CH2 (+ M) [=] CH3 (+ M) - - - 6.000000E+11 - 0 - 0.000000 - - - 1.040000E+20 - -2.7599999999999998 - 1600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.562 91 5836 8552 - - H:1.0 CH2:1 - CH3:1.0 - - - - - H + CH2(S) [=] CH + H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1.0 CH2(S):1 - H2:1 CH:1.0 - - - - - H + CH3 (+ M) [=] CH4 (+ M) - - - 1.390000E+13 - -0.53400000000000003 - 536.000000 - - - 2.620000E+27 - -4.7599999999999998 - 2440.000000 - - AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 - 0.783 74 2941 6964 - - H:1.0 CH3:1 - CH4:1.0 - - - - - H + CH4 [=] CH3 + H2 - - - 6.600000E+05 - 1.6200000000000001 - 10840.000000 - - - H:1.0 CH4:1 - H2:1 CH3:1.0 - - - - - H + HCO (+ M) [=] CH2O (+ M) - - - 1.090000E+09 - 0.47999999999999998 - -260.000000 - - - 2.470000E+18 - -2.5699999999999998 - 425.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7824 271 2755 6570 - - H:1.0 HCO:1 - CH2O:1.0 - - - - - H + HCO [=] H2 + CO - - - 7.340000E+10 - 0 - 0.000000 - - - H:1.0 HCO:1 - H2:1.0 CO:1 - - - - - H + CH2O (+ M) [=] CH2OH (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 3600.000000 - - - 1.270000E+26 - -4.8200000000000003 - 6530.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7187 103 1291 4160 - - CH2O:1 H:1.0 - CH2OH:1.0 - - - - - H + CH2O (+ M) [=] CH3O (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 2600.000000 - - - 2.200000E+24 - -4.7999999999999998 - 5560.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.758 94 1555 4200 - - CH2O:1 H:1.0 - CH3O:1.0 - - - - - H + CH2O [=] HCO + H2 - - - 5.740000E+04 - 1.8999999999999999 - 2742.000000 - - - CH2O:1 H:1.0 - H2:1 HCO:1.0 - - - - - H + CH2OH (+ M) [=] CH3OH (+ M) - - - 1.055000E+09 - 0.5 - 86.000000 - - - 4.360000E+25 - -4.6500000000000004 - 5080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6 100 90000 10000 - - H:1.0 CH2OH:1 - CH3OH:1.0 - - - - - H + CH2OH [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1.0 CH2OH:1 - H2:1.0 CH2O:1 - - - - - H + CH2OH [=] OH + CH3 - - - 1.650000E+08 - 0.65000000000000002 - -284.000000 - - - H:1.0 CH2OH:1 - CH3:1 OH:1.0 - - - - - H + CH2OH [=] CH2(S) + H2O - - - 3.280000E+10 - -0.089999999999999997 - 610.000000 - - - H:1.0 CH2OH:1 - CH2(S):1.0 H2O:1 - - - - - H + CH3O (+ M) [=] CH3OH (+ M) - - - 2.430000E+09 - 0.51500000000000001 - 50.000000 - - - 4.660000E+35 - -7.4400000000000004 - 14080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7 100 90000 10000 - - H:1.0 CH3O:1 - CH3OH:1.0 - - - - - H + CH3O [=] H + CH2OH - - - 4.150000E+04 - 1.6299999999999999 - 1924.000000 - - - H:1.0 CH3O:1 - H:1.0 CH2OH:1 - - - - - H + CH3O [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1.0 CH3O:1 - H2:1.0 CH2O:1 - - - - - H + CH3O [=] OH + CH3 - - - 1.500000E+09 - 0.5 - -110.000000 - - - H:1.0 CH3O:1 - CH3:1 OH:1.0 - - - - - H + CH3O [=] CH2(S) + H2O - - - 2.620000E+11 - -0.23000000000000001 - 1070.000000 - - - H:1.0 CH3O:1 - CH2(S):1.0 H2O:1 - - - - - H + CH3OH [=] CH2OH + H2 - - - 1.700000E+04 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1.0 - H2:1 CH2OH:1.0 - - - - - H + CH3OH [=] CH3O + H2 - - - 4.200000E+03 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1.0 - H2:1 CH3O:1.0 - - - - - H + C2H (+ M) [=] C2H2 (+ M) - - - 1.000000E+14 - -1 - 0.000000 - - - 3.750000E+27 - -4.7999999999999998 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6464 132 1315 5566 - - H:1.0 C2H:1 - C2H2:1.0 - - - - - H + C2H2 (+ M) [=] C2H3 (+ M) - - - 5.600000E+09 - 0 - 2400.000000 - - - 3.800000E+34 - -7.2699999999999996 - 7220.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7507 98.5 1302 4167 - - H:1.0 C2H2:1 - C2H3:1.0 - - - - - H + C2H3 (+ M) [=] C2H4 (+ M) - - - 6.080000E+09 - 0.27000000000000002 - 280.000000 - - - 1.400000E+24 - -3.8599999999999999 - 3320.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.782 207.5 2663 6095 - - H:1.0 C2H3:1 - C2H4:1.0 - - - - - H + C2H3 [=] H2 + C2H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1.0 C2H3:1 - H2:1.0 C2H2:1 - - - - - H + C2H4 (+ M) [=] C2H5 (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 1820.000000 - - - 6.000000E+35 - -7.6200000000000001 - 6970.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.9753 210 984 4374 - - H:1.0 C2H4:1 - C2H5:1.0 - - - - - H + C2H4 [=] C2H3 + H2 - - - 1.325000E+03 - 2.5299999999999998 - 12240.000000 - - - H:1.0 C2H4:1 - H2:1 C2H3:1.0 - - - - - H + C2H5 (+ M) [=] C2H6 (+ M) - - - 5.210000E+14 - -0.98999999999999999 - 1580.000000 - - - 1.990000E+35 - -7.0800000000000001 - 6685.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.8422 125 2219 6882 - - H:1.0 C2H5:1 - C2H6:1.0 - - - - - H + C2H5 [=] H2 + C2H4 - - - 2.000000E+09 - 0 - 0.000000 - - - H:1.0 C2H5:1 - H2:1.0 C2H4:1 - - - - - H + C2H6 [=] C2H5 + H2 - - - 1.150000E+05 - 1.8999999999999999 - 7530.000000 - - - H:1.0 C2H6:1 - H2:1 C2H5:1.0 - - - - - H + HCCO [=] CH2(S) + CO - - - 1.000000E+11 - 0 - 0.000000 - - - H:1.0 HCCO:1 - CH2(S):1.0 CO:1 - - - - - H + CH2CO [=] HCCO + H2 - - - 5.000000E+10 - 0 - 8000.000000 - - - H:1.0 CH2CO:1 - H2:1 HCCO:1.0 - - - - - H + CH2CO [=] CH3 + CO - - - 1.130000E+10 - 0 - 3428.000000 - - - H:1.0 CH2CO:1 - CH3:1.0 CO:1 - - - - - H + HCCOH [=] H + CH2CO - - - 1.000000E+10 - 0 - 0.000000 - - - H:1.0 HCCOH:1 - H:1.0 CH2CO:1 - - - - - H2 + CO (+ M) [=] CH2O (+ M) - - - 4.300000E+04 - 1.5 - 79600.000000 - - - 5.070000E+21 - -3.4199999999999999 - 84350.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.932 197 1540 10300 - - H2:1.0 CO:1 - CH2O:1.0 - - - - - OH + H2 [=] H + H2O - - - 2.160000E+05 - 1.51 - 3430.000000 - - - H2:1 OH:1.0 - H:1.0 H2O:1 - - - - - 2 OH (+ M) [=] H2O2 (+ M) - - - 7.400000E+10 - -0.37 - 0.000000 - - - 2.300000E+12 - -0.90000000000000002 - -1700.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7346 94 1756 5182 - - OH:2.0 - H2O2:1.0 - - - - - 2 OH [=] O + H2O - - - 3.570000E+01 - 2.3999999999999999 - -2110.000000 - - - OH:2.0 - H2O:1 O:1.0 - - - - - OH + HO2 [=] O2 + H2O - - - 1.450000E+10 - 0 - -500.000000 - - - HO2:1 OH:1.0 - H2O:1 O2:1.0 - - - - - OH + H2O2 [=] HO2 + H2O - - - 2.000000E+09 - 0 - 427.000000 - - - H2O2:1 OH:1.0 - H2O:1 HO2:1.0 - - - - - OH + H2O2 [=] HO2 + H2O - - - 1.700000E+15 - 0 - 29410.000000 - - - H2O2:1 OH:1.0 - H2O:1 HO2:1.0 - - - - - OH + C [=] H + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 OH:1.0 - H:1.0 CO:1 - - - - - OH + CH [=] H + HCO - - - 3.000000E+10 - 0 - 0.000000 - - - CH:1 OH:1.0 - H:1.0 HCO:1 - - - - - OH + CH2 [=] H + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 OH:1.0 - CH2O:1 H:1.0 - - - - - OH + CH2 [=] CH + H2O - - - 1.130000E+04 - 2 - 3000.000000 - - - CH2:1 OH:1.0 - H2O:1 CH:1.0 - - - - - OH + CH2(S) [=] H + CH2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 OH:1.0 - CH2O:1 H:1.0 - - - - - OH + CH3 (+ M) [=] CH3OH (+ M) - - - 2.790000E+15 - -1.4299999999999999 - 1330.000000 - - - 4.000000E+30 - -5.9199999999999999 - 3140.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.412 195 5900 6394 - - CH3:1 OH:1.0 - CH3OH:1.0 - - - - - OH + CH3 [=] CH2 + H2O - - - 5.600000E+04 - 1.6000000000000001 - 5420.000000 - - - CH3:1 OH:1.0 - CH2:1.0 H2O:1 - - - - - OH + CH3 [=] CH2(S) + H2O - - - 6.440000E+14 - -1.3400000000000001 - 1417.000000 - - - CH3:1 OH:1.0 - CH2(S):1.0 H2O:1 - - - - - OH + CH4 [=] CH3 + H2O - - - 1.000000E+05 - 1.6000000000000001 - 3120.000000 - - - CH4:1 OH:1.0 - H2O:1 CH3:1.0 - - - - - OH + CO [=] H + CO2 - - - 4.760000E+04 - 1.228 - 70.000000 - - - CO:1 OH:1.0 - H:1.0 CO2:1 - - - - - OH + HCO [=] H2O + CO - - - 5.000000E+10 - 0 - 0.000000 - - - HCO:1 OH:1.0 - H2O:1.0 CO:1 - - - - - OH + CH2O [=] HCO + H2O - - - 3.430000E+06 - 1.1799999999999999 - -447.000000 - - - CH2O:1 OH:1.0 - H2O:1 HCO:1.0 - - - - - OH + CH2OH [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH2OH:1 OH:1.0 - CH2O:1 H2O:1.0 - - - - - OH + CH3O [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH3O:1 OH:1.0 - CH2O:1 H2O:1.0 - - - - - OH + CH3OH [=] CH2OH + H2O - - - 1.440000E+03 - 2 - -840.000000 - - - CH3OH:1 OH:1.0 - CH2OH:1.0 H2O:1 - - - - - OH + CH3OH [=] CH3O + H2O - - - 6.300000E+03 - 2 - 1500.000000 - - - CH3OH:1 OH:1.0 - H2O:1 CH3O:1.0 - - - - - OH + C2H [=] H + HCCO - - - 2.000000E+10 - 0 - 0.000000 - - - C2H:1 OH:1.0 - H:1.0 HCCO:1 - - - - - OH + C2H2 [=] H + CH2CO - - - 2.180000E-07 - 4.5 - -1000.000000 - - - C2H2:1 OH:1.0 - H:1.0 CH2CO:1 - - - - - OH + C2H2 [=] H + HCCOH - - - 5.040000E+02 - 2.2999999999999998 - 13500.000000 - - - C2H2:1 OH:1.0 - H:1.0 HCCOH:1 - - - - - OH + C2H2 [=] C2H + H2O - - - 3.370000E+04 - 2 - 14000.000000 - - - C2H2:1 OH:1.0 - C2H:1.0 H2O:1 - - - - - OH + C2H2 [=] CH3 + CO - - - 4.830000E-07 - 4 - -2000.000000 - - - C2H2:1 OH:1.0 - CH3:1.0 CO:1 - - - - - OH + C2H3 [=] H2O + C2H2 - - - 5.000000E+09 - 0 - 0.000000 - - - C2H3:1 OH:1.0 - H2O:1.0 C2H2:1 - - - - - OH + C2H4 [=] C2H3 + H2O - - - 3.600000E+03 - 2 - 2500.000000 - - - C2H4:1 OH:1.0 - H2O:1 C2H3:1.0 - - - - - OH + C2H6 [=] C2H5 + H2O - - - 3.540000E+03 - 2.1200000000000001 - 870.000000 - - - C2H6:1 OH:1.0 - C2H5:1.0 H2O:1 - - - - - OH + CH2CO [=] HCCO + H2O - - - 7.500000E+09 - 0 - 2000.000000 - - - CH2CO:1 OH:1.0 - H2O:1 HCCO:1.0 - - - - - 2 HO2 [=] O2 + H2O2 - - - 1.300000E+08 - 0 - -1630.000000 - - - HO2:2.0 - O2:1.0 H2O2:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 4.200000E+11 - 0 - 12000.000000 - - - HO2:2.0 - O2:1.0 H2O2:1 - - - - - HO2 + CH2 [=] OH + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 HO2:1.0 - CH2O:1 OH:1.0 - - - - - HO2 + CH3 [=] O2 + CH4 - - - 1.000000E+09 - 0 - 0.000000 - - - CH3:1 HO2:1.0 - CH4:1 O2:1.0 - - - - - HO2 + CH3 [=] OH + CH3O - - - 3.780000E+10 - 0 - 0.000000 - - - CH3:1 HO2:1.0 - CH3O:1 OH:1.0 - - - - - HO2 + CO [=] OH + CO2 - - - 1.500000E+11 - 0 - 23600.000000 - - - CO:1 HO2:1.0 - CO2:1 OH:1.0 - - - - - HO2 + CH2O [=] HCO + H2O2 - - - 5.600000E+03 - 2 - 12000.000000 - - - CH2O:1 HO2:1.0 - HCO:1.0 H2O2:1 - - - - - C + O2 [=] O + CO - - - 5.800000E+10 - 0 - 576.000000 - - - C:1.0 O2:1 - CO:1 O:1.0 - - - - - C + CH2 [=] H + C2H - - - 5.000000E+10 - 0 - 0.000000 - - - C:1.0 CH2:1 - H:1.0 C2H:1 - - - - - C + CH3 [=] H + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - C:1.0 CH3:1 - H:1.0 C2H2:1 - - - - - CH + O2 [=] O + HCO - - - 6.710000E+10 - 0 - 0.000000 - - - CH:1.0 O2:1 - HCO:1 O:1.0 - - - - - CH + H2 [=] H + CH2 - - - 1.080000E+11 - 0 - 3110.000000 - - - H2:1 CH:1.0 - H:1.0 CH2:1 - - - - - CH + H2O [=] H + CH2O - - - 5.710000E+09 - 0 - -755.000000 - - - H2O:1 CH:1.0 - CH2O:1 H:1.0 - - - - - CH + CH2 [=] H + C2H2 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH:1.0 - H:1.0 C2H2:1 - - - - - CH + CH3 [=] H + C2H3 - - - 3.000000E+10 - 0 - 0.000000 - - - CH3:1 CH:1.0 - H:1.0 C2H3:1 - - - - - CH + CH4 [=] H + C2H4 - - - 6.000000E+10 - 0 - 0.000000 - - - CH:1.0 CH4:1 - H:1.0 C2H4:1 - - - - - CH + CO (+ M) [=] HCCO (+ M) - - - 5.000000E+10 - 0 - 0.000000 - - - 2.690000E+22 - -3.7400000000000002 - 1936.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5757 237 1652 5069 - - CH:1.0 CO:1 - HCCO:1.0 - - - - - CH + CO2 [=] HCO + CO - - - 1.900000E+11 - 0 - 15792.000000 - - - CH:1.0 CO2:1 - CO:1 HCO:1.0 - - - - - CH + CH2O [=] H + CH2CO - - - 9.460000E+10 - 0 - -515.000000 - - - CH2O:1 CH:1.0 - H:1.0 CH2CO:1 - - - - - CH + HCCO [=] CO + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - CH:1.0 HCCO:1 - CO:1.0 C2H2:1 - - - - - CH2 + O2 =] OH + H + CO - - - 5.000000E+09 - 0 - 1500.000000 - - - CH2:1.0 O2:1 - H:1 CO:1 OH:1.0 - - - - - CH2 + H2 [=] H + CH3 - - - 5.000000E+02 - 2 - 7230.000000 - - - H2:1 CH2:1.0 - H:1.0 CH3:1 - - - - - 2 CH2 [=] H2 + C2H2 - - - 1.600000E+12 - 0 - 11944.000000 - - - CH2:2.0 - H2:1.0 C2H2:1 - - - - - CH2 + CH3 [=] H + C2H4 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1.0 CH3:1 - H:1.0 C2H4:1 - - - - - CH2 + CH4 [=] 2 CH3 - - - 2.460000E+03 - 2 - 8270.000000 - - - CH2:1.0 CH4:1 - CH3:2.0 - - - - - CH2 + CO (+ M) [=] CH2CO (+ M) - - - 8.100000E+08 - 0.5 - 4510.000000 - - - 2.690000E+27 - -5.1100000000000003 - 7095.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5907 275 1226 5185 - - CH2:1.0 CO:1 - CH2CO:1.0 - - - - - CH2 + HCCO [=] C2H3 + CO - - - 3.000000E+10 - 0 - 0.000000 - - - CH2:1.0 HCCO:1 - CO:1 C2H3:1.0 - - - - - CH2(S) + N2 [=] CH2 + N2 - - - 1.500000E+10 - 0 - 600.000000 - - - CH2(S):1.0 N2:1 - CH2:1.0 N2:1 - - - - - CH2(S) + AR [=] CH2 + AR - - - 9.000000E+09 - 0 - 600.000000 - - - CH2(S):1.0 AR:1 - CH2:1.0 AR:1 - - - - - CH2(S) + O2 [=] H + OH + CO - - - 2.800000E+10 - 0 - 0.000000 - - - CH2(S):1.0 O2:1 - H:1.0 CO:1 OH:1 - - - - - CH2(S) + O2 [=] CO + H2O - - - 1.200000E+10 - 0 - 0.000000 - - - CH2(S):1.0 O2:1 - H2O:1 CO:1.0 - - - - - CH2(S) + H2 [=] CH3 + H - - - 7.000000E+10 - 0 - 0.000000 - - - H2:1 CH2(S):1.0 - H:1 CH3:1.0 - - - - - CH2(S) + H2O (+ M) [=] CH3OH (+ M) - - - 4.820000E+14 - -1.1599999999999999 - 1145.000000 - - - 1.880000E+32 - -6.3600000000000003 - 5040.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6027 208 3922 10180 - - CH2(S):1.0 H2O:1 - CH3OH:1.0 - - - - - CH2(S) + H2O [=] CH2 + H2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1.0 H2O:1 - CH2:1.0 H2O:1 - - - - - CH2(S) + CH3 [=] H + C2H4 - - - 1.200000E+10 - 0 - -570.000000 - - - CH2(S):1.0 CH3:1 - H:1.0 C2H4:1 - - - - - CH2(S) + CH4 [=] 2 CH3 - - - 1.600000E+10 - 0 - -570.000000 - - - CH2(S):1.0 CH4:1 - CH3:2.0 - - - - - CH2(S) + CO [=] CH2 + CO - - - 9.000000E+09 - 0 - 0.000000 - - - CH2(S):1.0 CO:1 - CH2:1.0 CO:1 - - - - - CH2(S) + CO2 [=] CH2 + CO2 - - - 7.000000E+09 - 0 - 0.000000 - - - CH2(S):1.0 CO2:1 - CH2:1.0 CO2:1 - - - - - CH2(S) + CO2 [=] CO + CH2O - - - 1.400000E+10 - 0 - 0.000000 - - - CH2(S):1.0 CO2:1 - CH2O:1 CO:1.0 - - - - - CH2(S) + C2H6 [=] CH3 + C2H5 - - - 4.000000E+10 - 0 - -550.000000 - - - CH2(S):1.0 C2H6:1 - C2H5:1 CH3:1.0 - - - - - CH3 + O2 [=] O + CH3O - - - 3.560000E+10 - 0 - 30480.000000 - - - CH3:1.0 O2:1 - CH3O:1 O:1.0 - - - - - CH3 + O2 [=] OH + CH2O - - - 2.310000E+09 - 0 - 20315.000000 - - - CH3:1.0 O2:1 - CH2O:1 OH:1.0 - - - - - CH3 + H2O2 [=] HO2 + CH4 - - - 2.450000E+01 - 2.4700000000000002 - 5180.000000 - - - CH3:1.0 H2O2:1 - CH4:1 HO2:1.0 - - - - - 2 CH3 (+ M) [=] C2H6 (+ M) - - - 6.770000E+13 - -1.1799999999999999 - 654.000000 - - - 3.400000E+35 - -7.0300000000000002 - 2762.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.619 73.2 1180 9999 - - CH3:2.0 - C2H6:1.0 - - - - - 2 CH3 [=] H + C2H5 - - - 6.840000E+09 - 0.10000000000000001 - 10600.000000 - - - CH3:2.0 - H:1.0 C2H5:1 - - - - - CH3 + HCO [=] CH4 + CO - - - 2.648000E+10 - 0 - 0.000000 - - - CH3:1.0 HCO:1 - CO:1 CH4:1.0 - - - - - CH3 + CH2O [=] HCO + CH4 - - - 3.320000E+00 - 2.8100000000000001 - 5860.000000 - - - CH2O:1 CH3:1.0 - CH4:1 HCO:1.0 - - - - - CH3 + CH3OH [=] CH2OH + CH4 - - - 3.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1.0 - CH2OH:1.0 CH4:1 - - - - - CH3 + CH3OH [=] CH3O + CH4 - - - 1.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1.0 - CH3O:1.0 CH4:1 - - - - - CH3 + C2H4 [=] C2H3 + CH4 - - - 2.270000E+02 - 2 - 9200.000000 - - - CH3:1.0 C2H4:1 - CH4:1 C2H3:1.0 - - - - - CH3 + C2H6 [=] C2H5 + CH4 - - - 6.140000E+03 - 1.74 - 10450.000000 - - - C2H6:1 CH3:1.0 - C2H5:1.0 CH4:1 - - - - - HCO + H2O [=] H + CO + H2O - - - 1.500000E+15 - -1 - 17000.000000 - - - H2O:1 HCO:1.0 - H:1.0 H2O:1 CO:1 - - - - - HCO + M [=] H + CO + M - - - 1.870000E+14 - -1 - 17000.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 - - HCO:1.0 - H:1.0 CO:1 - - - - - HCO + O2 [=] HO2 + CO - - - 1.345000E+10 - 0 - 400.000000 - - - HCO:1.0 O2:1 - CO:1 HO2:1.0 - - - - - CH2OH + O2 [=] HO2 + CH2O - - - 1.800000E+10 - 0 - 900.000000 - - - CH2OH:1.0 O2:1 - CH2O:1 HO2:1.0 - - - - - CH3O + O2 [=] HO2 + CH2O - - - 4.280000E-16 - 7.5999999999999996 - -3530.000000 - - - CH3O:1.0 O2:1 - CH2O:1 HO2:1.0 - - - - - C2H + O2 [=] HCO + CO - - - 1.000000E+10 - 0 - -755.000000 - - - C2H:1.0 O2:1 - CO:1 HCO:1.0 - - - - - C2H + H2 [=] H + C2H2 - - - 5.680000E+07 - 0.90000000000000002 - 1993.000000 - - - H2:1 C2H:1.0 - H:1.0 C2H2:1 - - - - - C2H3 + O2 [=] HCO + CH2O - - - 4.580000E+13 - -1.3899999999999999 - 1015.000000 - - - C2H3:1.0 O2:1 - CH2O:1 HCO:1.0 - - - - - C2H4 (+ M) [=] H2 + C2H2 (+ M) - - - 8.000000E+12 - 0.44 - 86770.000000 - - - 1.580000E+48 - -9.3000000000000007 - 97800.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7345 180 1035 5417 - - C2H4:1.0 - H2:1.0 C2H2:1 - - - - - C2H5 + O2 [=] HO2 + C2H4 - - - 8.400000E+08 - 0 - 3875.000000 - - - C2H5:1.0 O2:1 - C2H4:1 HO2:1.0 - - - - - HCCO + O2 [=] OH + 2 CO - - - 3.200000E+09 - 0 - 854.000000 - - - HCCO:1.0 O2:1 - CO:2.0 OH:1.0 - - - - - 2 HCCO [=] 2 CO + C2H2 - - - 1.000000E+10 - 0 - 0.000000 - - - HCCO:2.0 - CO:2.0 C2H2:1 - - - - - N + NO [=] N2 + O - - - 2.700000E+10 - 0 - 355.000000 - - - NO:1 N:1.0 - N2:1.0 O:1 - - - - - N + O2 [=] NO + O - - - 9.000000E+06 - 1 - 6500.000000 - - - O2:1 N:1.0 - O:1 NO:1.0 - - - - - N + OH [=] NO + H - - - 3.360000E+10 - 0 - 385.000000 - - - OH:1 N:1.0 - H:1 NO:1.0 - - - - - N2O + O [=] N2 + O2 - - - 1.400000E+09 - 0 - 10810.000000 - - - N2O:1.0 O:1 - N2:1.0 O2:1 - - - - - N2O + O [=] 2 NO - - - 2.900000E+10 - 0 - 23150.000000 - - - N2O:1.0 O:1 - NO:2.0 - - - - - N2O + H [=] N2 + OH - - - 3.870000E+11 - 0 - 18880.000000 - - - H:1 N2O:1.0 - N2:1.0 OH:1 - - - - - N2O + OH [=] N2 + HO2 - - - 2.000000E+09 - 0 - 21060.000000 - - - N2O:1.0 OH:1 - N2:1.0 HO2:1 - - - - - N2O (+ M) [=] N2 + O (+ M) - - - 7.910000E+10 - 0 - 56020.000000 - - - 6.370000E+11 - 0 - 56640.000000 - - AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - N2O:1.0 - N2:1.0 O:1 - - - - - HO2 + NO [=] NO2 + OH - - - 2.110000E+09 - 0 - -480.000000 - - - HO2:1.0 NO:1 - NO2:1.0 OH:1 - - - - - NO + O + M [=] NO2 + M - - - 1.060000E+14 - -1.4099999999999999 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - O:1 NO:1.0 - NO2:1.0 - - - - - NO2 + O [=] NO + O2 - - - 3.900000E+09 - 0 - -240.000000 - - - O:1 NO2:1.0 - O2:1 NO:1.0 - - - - - NO2 + H [=] NO + OH - - - 1.320000E+11 - 0 - 360.000000 - - - H:1 NO2:1.0 - OH:1 NO:1.0 - - - - - NH + O [=] NO + H - - - 4.000000E+10 - 0 - 0.000000 - - - NH:1.0 O:1 - H:1 NO:1.0 - - - - - NH + H [=] N + H2 - - - 3.200000E+10 - 0 - 330.000000 - - - NH:1.0 H:1 - H2:1 N:1.0 - - - - - NH + OH [=] HNO + H - - - 2.000000E+10 - 0 - 0.000000 - - - NH:1.0 OH:1 - H:1 HNO:1.0 - - - - - NH + OH [=] N + H2O - - - 2.000000E+06 - 1.2 - 0.000000 - - - NH:1.0 OH:1 - H2O:1 N:1.0 - - - - - NH + O2 [=] HNO + O - - - 4.610000E+02 - 2 - 6500.000000 - - - NH:1.0 O2:1 - O:1 HNO:1.0 - - - - - NH + O2 [=] NO + OH - - - 1.280000E+03 - 1.5 - 100.000000 - - - NH:1.0 O2:1 - OH:1 NO:1.0 - - - - - NH + N [=] N2 + H - - - 1.500000E+10 - 0 - 0.000000 - - - NH:1.0 N:1 - H:1 N2:1.0 - - - - - NH + H2O [=] HNO + H2 - - - 2.000000E+10 - 0 - 13850.000000 - - - NH:1.0 H2O:1 - H2:1 HNO:1.0 - - - - - NH + NO [=] N2 + OH - - - 2.160000E+10 - -0.23000000000000001 - 0.000000 - - - NH:1.0 NO:1 - N2:1.0 OH:1 - - - - - NH + NO [=] N2O + H - - - 3.650000E+11 - -0.45000000000000001 - 0.000000 - - - NH:1.0 NO:1 - H:1 N2O:1.0 - - - - - NH2 + O [=] OH + NH - - - 3.000000E+09 - 0 - 0.000000 - - - O:1 NH2:1.0 - NH:1 OH:1.0 - - - - - NH2 + O [=] H + HNO - - - 3.900000E+10 - 0 - 0.000000 - - - O:1 NH2:1.0 - H:1.0 HNO:1 - - - - - NH2 + H [=] NH + H2 - - - 4.000000E+10 - 0 - 3650.000000 - - - H:1 NH2:1.0 - NH:1.0 H2:1 - - - - - NH2 + OH [=] NH + H2O - - - 9.000000E+04 - 1.5 - -460.000000 - - - OH:1 NH2:1.0 - NH:1.0 H2O:1 - - - - - NNH [=] N2 + H - - - 3.300000E+08 - 0 - 0.000000 - - - NNH:1.0 - H:1 N2:1.0 - - - - - NNH + M [=] N2 + H + M - - - 1.300000E+11 - -0.11 - 4980.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NNH:1.0 - H:1 N2:1.0 - - - - - NNH + O2 [=] HO2 + N2 - - - 5.000000E+09 - 0 - 0.000000 - - - O2:1 NNH:1.0 - N2:1 HO2:1.0 - - - - - NNH + O [=] OH + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 NNH:1.0 - N2:1 OH:1.0 - - - - - NNH + O [=] NH + NO - - - 7.000000E+10 - 0 - 0.000000 - - - O:1 NNH:1.0 - NH:1.0 NO:1 - - - - - NNH + H [=] H2 + N2 - - - 5.000000E+10 - 0 - 0.000000 - - - H:1 NNH:1.0 - H2:1.0 N2:1 - - - - - NNH + OH [=] H2O + N2 - - - 2.000000E+10 - 0 - 0.000000 - - - OH:1 NNH:1.0 - H2O:1.0 N2:1 - - - - - NNH + CH3 [=] CH4 + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - CH3:1 NNH:1.0 - N2:1 CH4:1.0 - - - - - H + NO + M [=] HNO + M - - - 4.480000E+13 - -1.3200000000000001 - 740.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1.0 NO:1 - HNO:1.0 - - - - - HNO + O [=] NO + OH - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 HNO:1.0 - OH:1 NO:1.0 - - - - - HNO + H [=] H2 + NO - - - 9.000000E+08 - 0.71999999999999997 - 660.000000 - - - H:1 HNO:1.0 - H2:1.0 NO:1 - - - - - HNO + OH [=] NO + H2O - - - 1.300000E+04 - 1.8999999999999999 - -950.000000 - - - HNO:1.0 OH:1 - H2O:1 NO:1.0 - - - - - HNO + O2 [=] HO2 + NO - - - 1.000000E+10 - 0 - 13000.000000 - - - O2:1 HNO:1.0 - HO2:1.0 NO:1 - - - - - CN + O [=] CO + N - - - 7.700000E+10 - 0 - 0.000000 - - - CN:1.0 O:1 - CO:1.0 N:1 - - - - - CN + OH [=] NCO + H - - - 4.000000E+10 - 0 - 0.000000 - - - CN:1.0 OH:1 - H:1 NCO:1.0 - - - - - CN + H2O [=] HCN + OH - - - 8.000000E+09 - 0 - 7460.000000 - - - H2O:1 CN:1.0 - HCN:1.0 OH:1 - - - - - CN + O2 [=] NCO + O - - - 6.140000E+09 - 0 - -440.000000 - - - CN:1.0 O2:1 - O:1 NCO:1.0 - - - - - CN + H2 [=] HCN + H - - - 2.950000E+02 - 2.4500000000000002 - 2240.000000 - - - H2:1 CN:1.0 - H:1 HCN:1.0 - - - - - NCO + O [=] NO + CO - - - 2.350000E+10 - 0 - 0.000000 - - - O:1 NCO:1.0 - CO:1 NO:1.0 - - - - - NCO + H [=] NH + CO - - - 5.400000E+10 - 0 - 0.000000 - - - H:1 NCO:1.0 - NH:1.0 CO:1 - - - - - NCO + OH [=] NO + H + CO - - - 2.500000E+09 - 0 - 0.000000 - - - OH:1 NCO:1.0 - H:1 CO:1 NO:1.0 - - - - - NCO + N [=] N2 + CO - - - 2.000000E+10 - 0 - 0.000000 - - - N:1 NCO:1.0 - N2:1.0 CO:1 - - - - - NCO + O2 [=] NO + CO2 - - - 2.000000E+09 - 0 - 20000.000000 - - - O2:1 NCO:1.0 - CO2:1 NO:1.0 - - - - - NCO + M [=] N + CO + M - - - 3.100000E+11 - 0 - 54050.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NCO:1.0 - CO:1 N:1.0 - - - - - NCO + NO [=] N2O + CO - - - 1.900000E+14 - -1.52 - 740.000000 - - - NO:1 NCO:1.0 - CO:1 N2O:1.0 - - - - - NCO + NO [=] N2 + CO2 - - - 3.800000E+15 - -2 - 800.000000 - - - NO:1 NCO:1.0 - N2:1.0 CO2:1 - - - - - HCN + M [=] H + CN + M - - - 1.040000E+26 - -3.2999999999999998 - 126600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HCN:1.0 - H:1.0 CN:1 - - - - - HCN + O [=] NCO + H - - - 2.030000E+01 - 2.6400000000000001 - 4980.000000 - - - HCN:1.0 O:1 - H:1 NCO:1.0 - - - - - HCN + O [=] NH + CO - - - 5.070000E+00 - 2.6400000000000001 - 4980.000000 - - - HCN:1.0 O:1 - NH:1.0 CO:1 - - - - - HCN + O [=] CN + OH - - - 3.910000E+06 - 1.5800000000000001 - 26600.000000 - - - HCN:1.0 O:1 - CN:1.0 OH:1 - - - - - HCN + OH [=] HOCN + H - - - 1.100000E+03 - 2.0299999999999998 - 13370.000000 - - - HCN:1.0 OH:1 - HOCN:1.0 H:1 - - - - - HCN + OH [=] HNCO + H - - - 4.400000E+00 - 2.2599999999999998 - 6400.000000 - - - HCN:1.0 OH:1 - HNCO:1.0 H:1 - - - - - HCN + OH [=] NH2 + CO - - - 1.600000E-01 - 2.5600000000000001 - 9000.000000 - - - HCN:1.0 OH:1 - CO:1 NH2:1.0 - - - - - H + HCN (+ M) [=] H2CN (+ M) - - - 3.300000E+10 - 0 - 0.000000 - - - 1.400000E+20 - -3.3999999999999999 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - H:1.0 HCN:1 - H2CN:1.0 - - - - - H2CN + N [=] N2 + CH2 - - - 6.000000E+10 - 0 - 400.000000 - - - H2CN:1.0 N:1 - N2:1.0 CH2:1 - - - - - C + N2 [=] CN + N - - - 6.300000E+10 - 0 - 46020.000000 - - - C:1.0 N2:1 - CN:1.0 N:1 - - - - - CH + N2 [=] HCN + N - - - 3.120000E+06 - 0.88 - 20130.000000 - - - N2:1 CH:1.0 - HCN:1.0 N:1 - - - - - CH + N2 (+ M) [=] HCNN (+ M) - - - 3.100000E+09 - 0.14999999999999999 - 0.000000 - - - 1.300000E+19 - -3.1600000000000001 - 740.000000 - - AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.667 235 2117 4536 - - N2:1 CH:1.0 - HCNN:1.0 - - - - - CH2 + N2 [=] HCN + NH - - - 1.000000E+10 - 0 - 74000.000000 - - - CH2:1.0 N2:1 - NH:1 HCN:1.0 - - - - - CH2(S) + N2 [=] NH + HCN - - - 1.000000E+08 - 0 - 65000.000000 - - - CH2(S):1.0 N2:1 - NH:1.0 HCN:1 - - - - - C + NO [=] CN + O - - - 1.900000E+10 - 0 - 0.000000 - - - C:1.0 NO:1 - CN:1.0 O:1 - - - - - C + NO [=] CO + N - - - 2.900000E+10 - 0 - 0.000000 - - - C:1.0 NO:1 - CO:1.0 N:1 - - - - - CH + NO [=] HCN + O - - - 4.100000E+10 - 0 - 0.000000 - - - CH:1.0 NO:1 - HCN:1.0 O:1 - - - - - CH + NO [=] H + NCO - - - 1.620000E+10 - 0 - 0.000000 - - - CH:1.0 NO:1 - H:1.0 NCO:1 - - - - - CH + NO [=] N + HCO - - - 2.460000E+10 - 0 - 0.000000 - - - CH:1.0 NO:1 - HCO:1 N:1.0 - - - - - CH2 + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2:1.0 NO:1 - HNCO:1 H:1.0 - - - - - CH2 + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2:1.0 NO:1 - HCN:1 OH:1.0 - - - - - CH2 + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2:1.0 NO:1 - H:1.0 HCNO:1 - - - - - CH2(S) + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2(S):1.0 NO:1 - HNCO:1 H:1.0 - - - - - CH2(S) + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2(S):1.0 NO:1 - HCN:1 OH:1.0 - - - - - CH2(S) + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2(S):1.0 NO:1 - H:1.0 HCNO:1 - - - - - CH3 + NO [=] HCN + H2O - - - 9.600000E+10 - 0 - 28800.000000 - - - CH3:1.0 NO:1 - H2O:1 HCN:1.0 - - - - - CH3 + NO [=] H2CN + OH - - - 1.000000E+09 - 0 - 21750.000000 - - - CH3:1.0 NO:1 - H2CN:1.0 OH:1 - - - - - HCNN + O [=] CO + H + N2 - - - 2.200000E+10 - 0 - 0.000000 - - - O:1 HCNN:1.0 - H:1 N2:1 CO:1.0 - - - - - HCNN + O [=] HCN + NO - - - 2.000000E+09 - 0 - 0.000000 - - - O:1 HCNN:1.0 - HCN:1.0 NO:1 - - - - - HCNN + O2 [=] O + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - O2:1 HCNN:1.0 - N2:1 HCO:1 O:1.0 - - - - - HCNN + OH [=] H + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - OH:1 HCNN:1.0 - H:1.0 N2:1 HCO:1 - - - - - HCNN + H [=] CH2 + N2 - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCNN:1.0 - CH2:1.0 N2:1 - - - - - HNCO + O [=] NH + CO2 - - - 9.800000E+04 - 1.4099999999999999 - 8500.000000 - - - HNCO:1.0 O:1 - NH:1.0 CO2:1 - - - - - HNCO + O [=] HNO + CO - - - 1.500000E+05 - 1.5700000000000001 - 44000.000000 - - - HNCO:1.0 O:1 - CO:1 HNO:1.0 - - - - - HNCO + O [=] NCO + OH - - - 2.200000E+03 - 2.1099999999999999 - 11400.000000 - - - HNCO:1.0 O:1 - OH:1 NCO:1.0 - - - - - HNCO + H [=] NH2 + CO - - - 2.250000E+04 - 1.7 - 3800.000000 - - - HNCO:1.0 H:1 - CO:1 NH2:1.0 - - - - - HNCO + H [=] H2 + NCO - - - 1.050000E+02 - 2.5 - 13300.000000 - - - HNCO:1.0 H:1 - H2:1.0 NCO:1 - - - - - HNCO + OH [=] NCO + H2O - - - 3.300000E+04 - 1.5 - 3600.000000 - - - HNCO:1.0 OH:1 - H2O:1 NCO:1.0 - - - - - HNCO + OH [=] NH2 + CO2 - - - 3.300000E+03 - 1.5 - 3600.000000 - - - HNCO:1.0 OH:1 - CO2:1 NH2:1.0 - - - - - HNCO + M [=] NH + CO + M - - - 1.180000E+13 - 0 - 84720.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HNCO:1.0 - NH:1.0 CO:1 - - - - - HCNO + H [=] H + HNCO - - - 2.100000E+12 - -0.68999999999999995 - 2850.000000 - - - H:1 HCNO:1.0 - HNCO:1 H:1.0 - - - - - HCNO + H [=] OH + HCN - - - 2.700000E+08 - 0.17999999999999999 - 2120.000000 - - - H:1 HCNO:1.0 - HCN:1 OH:1.0 - - - - - HCNO + H [=] NH2 + CO - - - 1.700000E+11 - -0.75 - 2890.000000 - - - H:1 HCNO:1.0 - CO:1 NH2:1.0 - - - - - HOCN + H [=] H + HNCO - - - 2.000000E+04 - 2 - 2000.000000 - - - HOCN:1.0 H:1 - HNCO:1 H:1.0 - - - - - HCCO + NO [=] HCNO + CO - - - 9.000000E+09 - 0 - 0.000000 - - - HCCO:1.0 NO:1 - CO:1 HCNO:1.0 - - - - - CH3 + N [=] H2CN + H - - - 6.100000E+11 - -0.31 - 290.000000 - - - CH3:1.0 N:1 - H:1 H2CN:1.0 - - - - - CH3 + N [=] HCN + H2 - - - 3.700000E+09 - 0.14999999999999999 - -90.000000 - - - CH3:1.0 N:1 - H2:1 HCN:1.0 - - - - - NH3 + H [=] NH2 + H2 - - - 5.400000E+02 - 2.3999999999999999 - 9915.000000 - - - H:1 NH3:1.0 - H2:1 NH2:1.0 - - - - - NH3 + OH [=] NH2 + H2O - - - 5.000000E+04 - 1.6000000000000001 - 955.000000 - - - NH3:1.0 OH:1 - H2O:1 NH2:1.0 - - - - - NH3 + O [=] NH2 + OH - - - 9.400000E+03 - 1.9399999999999999 - 6460.000000 - - - O:1 NH3:1.0 - OH:1 NH2:1.0 - - - - - NH + CO2 [=] HNO + CO - - - 1.000000E+10 - 0 - 14350.000000 - - - NH:1.0 CO2:1 - CO:1 HNO:1.0 - - - - - CN + NO2 [=] NCO + NO - - - 6.160000E+12 - -0.752 - 345.000000 - - - CN:1.0 NO2:1 - NO:1 NCO:1.0 - - - - - NCO + NO2 [=] N2O + CO2 - - - 3.250000E+09 - 0 - -705.000000 - - - NO2:1 NCO:1.0 - CO2:1 N2O:1.0 - - - - - N + CO2 [=] NO + CO - - - 3.000000E+09 - 0 - 11300.000000 - - - CO2:1 N:1.0 - CO:1 NO:1.0 - - - - - O + CH3 =] H + H2 + CO - - - 3.370000E+10 - 0 - 0.000000 - - - CH3:1 O:1.0 - H2:1 H:1.0 CO:1 - - - - - O + C2H4 [=] H + CH2CHO - - - 6.700000E+03 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1.0 - H:1.0 CH2CHO:1 - - - - - O + C2H5 [=] H + CH3CHO - - - 1.096000E+11 - 0 - 0.000000 - - - C2H5:1 O:1.0 - H:1.0 CH3CHO:1 - - - - - OH + HO2 [=] O2 + H2O - - - 5.000000E+12 - 0 - 17330.000000 - - - HO2:1 OH:1.0 - H2O:1 O2:1.0 - - - - - OH + CH3 =] H2 + CH2O - - - 8.000000E+06 - 0.5 - -1755.000000 - - - CH3:1 OH:1.0 - H2:1.0 CH2O:1 - - - - - CH + H2 (+ M) [=] CH3 (+ M) - - - 1.970000E+09 - 0.42999999999999999 - -370.000000 - - - 4.820000E+19 - -2.7999999999999998 - 590.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.578 122 2535 9365 - - H2:1 CH:1.0 - CH3:1.0 - - - - - CH2 + O2 =] 2 H + CO2 - - - 5.800000E+09 - 0 - 1500.000000 - - - CH2:1.0 O2:1 - H:2.0 CO2:1 - - - - - CH2 + O2 [=] O + CH2O - - - 2.400000E+09 - 0 - 1500.000000 - - - CH2:1.0 O2:1 - CH2O:1 O:1.0 - - - - - CH2 + CH2 =] 2 H + C2H2 - - - 2.000000E+11 - 0 - 10989.000000 - - - CH2:2.0 - H:2.0 C2H2:1 - - - - - CH2(S) + H2O =] H2 + CH2O - - - 6.820000E+07 - 0.25 - -935.000000 - - - CH2(S):1.0 H2O:1 - H2:1.0 CH2O:1 - - - - - C2H3 + O2 [=] O + CH2CHO - - - 3.030000E+08 - 0.28999999999999998 - 11.000000 - - - C2H3:1.0 O2:1 - CH2CHO:1 O:1.0 - - - - - C2H3 + O2 [=] HO2 + C2H2 - - - 1.337000E+03 - 1.6100000000000001 - -384.000000 - - - C2H3:1.0 O2:1 - HO2:1.0 C2H2:1 - - - - - O + CH3CHO [=] OH + CH2CHO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1.0 - CH2CHO:1 OH:1.0 - - - - - O + CH3CHO =] OH + CH3 + CO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1.0 - CH3:1 CO:1 OH:1.0 - - - - - O2 + CH3CHO =] HO2 + CH3 + CO - - - 3.010000E+10 - 0 - 39150.000000 - - - CH3CHO:1 O2:1.0 - CO:1 CH3:1 HO2:1.0 - - - - - H + CH3CHO [=] CH2CHO + H2 - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1.0 CH3CHO:1 - H2:1 CH2CHO:1.0 - - - - - H + CH3CHO =] CH3 + H2 + CO - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1.0 CH3CHO:1 - H2:1 CH3:1.0 CO:1 - - - - - OH + CH3CHO =] CH3 + H2O + CO - - - 2.343000E+07 - 0.72999999999999998 - -1113.000000 - - - CH3CHO:1 OH:1.0 - H2O:1 CH3:1.0 CO:1 - - - - - HO2 + CH3CHO =] CH3 + H2O2 + CO - - - 3.010000E+09 - 0 - 11923.000000 - - - CH3CHO:1 HO2:1.0 - CH3:1.0 CO:1 H2O2:1 - - - - - CH3 + CH3CHO =] CH3 + CH4 + CO - - - 2.720000E+03 - 1.77 - 5920.000000 - - - CH3CHO:1 CH3:1.0 - CO:1 CH3:1.0 CH4:1 - - - - - H + CH2CO (+ M) [=] CH2CHO (+ M) - - - 4.865000E+08 - 0.42199999999999999 - -1755.000000 - - - 1.012000E+36 - -7.6299999999999999 - 3854.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.465 201 1773 5333 - - H:1.0 CH2CO:1 - CH2CHO:1.0 - - - - - O + CH2CHO =] H + CH2 + CO2 - - - 1.500000E+11 - 0 - 0.000000 - - - CH2CHO:1 O:1.0 - H:1.0 CH2:1 CO2:1 - - - - - O2 + CH2CHO =] OH + CO + CH2O - - - 1.810000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1.0 - CH2O:1 CO:1 OH:1.0 - - - - - O2 + CH2CHO =] OH + 2 HCO - - - 2.350000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1.0 - HCO:2.0 OH:1.0 - - - - - H + CH2CHO [=] CH3 + HCO - - - 2.200000E+10 - 0 - 0.000000 - - - H:1.0 CH2CHO:1 - CH3:1.0 HCO:1 - - - - - H + CH2CHO [=] CH2CO + H2 - - - 1.100000E+10 - 0 - 0.000000 - - - H:1.0 CH2CHO:1 - H2:1 CH2CO:1.0 - - - - - OH + CH2CHO [=] H2O + CH2CO - - - 1.200000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1.0 - H2O:1.0 CH2CO:1 - - - - - OH + CH2CHO [=] HCO + CH2OH - - - 3.010000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1.0 - CH2OH:1 HCO:1.0 - - - - - CH3 + C2H5 (+ M) [=] C3H8 (+ M) - - - 9.430000E+09 - 0 - 0.000000 - - - 2.710000E+68 - -16.82 - 13065.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1527 291 2742 7748 - - C2H5:1 CH3:1.0 - C3H8:1.0 - - - - - O + C3H8 [=] OH + C3H7 - - - 1.930000E+02 - 2.6800000000000002 - 3716.000000 - - - C3H8:1 O:1.0 - C3H7:1 OH:1.0 - - - - - H + C3H8 [=] C3H7 + H2 - - - 1.320000E+03 - 2.54 - 6756.000000 - - - H:1.0 C3H8:1 - H2:1 C3H7:1.0 - - - - - OH + C3H8 [=] C3H7 + H2O - - - 3.160000E+04 - 1.8 - 934.000000 - - - C3H8:1 OH:1.0 - C3H7:1.0 H2O:1 - - - - - C3H7 + H2O2 [=] HO2 + C3H8 - - - 3.780000E-01 - 2.7200000000000002 - 1500.000000 - - - C3H7:1.0 H2O2:1 - HO2:1.0 C3H8:1 - - - - - CH3 + C3H8 [=] C3H7 + CH4 - - - 9.030000E-04 - 3.6499999999999999 - 7154.000000 - - - CH3:1.0 C3H8:1 - C3H7:1.0 CH4:1 - - - - - CH3 + C2H4 (+ M) [=] C3H7 (+ M) - - - 2.550000E+03 - 1.6000000000000001 - 5700.000000 - - - 3.000000E+57 - -14.6 - 18170.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1894 277 8748 7891 - - CH3:1.0 C2H4:1 - C3H7:1.0 - - - - - O + C3H7 [=] C2H5 + CH2O - - - 9.640000E+10 - 0 - 0.000000 - - - C3H7:1 O:1.0 - CH2O:1 C2H5:1.0 - - - - - H + C3H7 (+ M) [=] C3H8 (+ M) - - - 3.613000E+10 - 0 - 0.000000 - - - 4.420000E+55 - -13.545 - 11357.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.315 369 3285 6667 - - H:1.0 C3H7:1 - C3H8:1.0 - - - - - H + C3H7 [=] CH3 + C2H5 - - - 4.060000E+03 - 2.1899999999999999 - 890.000000 - - - H:1.0 C3H7:1 - C2H5:1 CH3:1.0 - - - - - OH + C3H7 [=] C2H5 + CH2OH - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 OH:1.0 - CH2OH:1 C2H5:1.0 - - - - - HO2 + C3H7 [=] O2 + C3H8 - - - 2.550000E+07 - 0.255 - -943.000000 - - - C3H7:1 HO2:1.0 - O2:1.0 C3H8:1 - - - - - HO2 + C3H7 =] OH + C2H5 + CH2O - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 HO2:1.0 - CH2O:1 C2H5:1 OH:1.0 - - - - - CH3 + C3H7 [=] 2 C2H5 - - - 1.927000E+10 - -0.32000000000000001 - 0.000000 - - - C3H7:1 CH3:1.0 - C2H5:2.0 - - - diff --git a/test_problems/mixGasTransport/gri30.xml b/test_problems/mixGasTransport/gri30.xml deleted file mode 100644 index 6acba138c..000000000 --- a/test_problems/mixGasTransport/gri30.xml +++ /dev/null @@ -1,6173 +0,0 @@ - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - - - - H:2 - TPIS78 - - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 - - - - - - H:1 - L 7/88 - - - - 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 - - - - 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 - - - - atom - 145.000 - 2.050 - 0.000 - 0.000 - 0.000 - - - - - - O:1 - L 1/90 - - - - 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 - - - - 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, - 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 - - - - atom - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - O:2 - TPIS89 - - - - 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 - - - - 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 - - - - linear - 107.400 - 3.460 - 0.000 - 1.600 - 3.800 - - - - - - H:1 O:1 - RUS 78 - - - - 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 - - - - 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, - 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 O:1 - L 8/89 - - - - 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 - - - - 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 - - - - nonlinear - 572.400 - 2.600 - 1.840 - 0.000 - 4.000 - - - - - - H:1 O:2 - L 5/89 - - - - 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 - - - - 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, - -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 1.000 - - - - - - H:2 O:2 - L 7/88 - - - - 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, - 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 - - - - 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, - -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 3.800 - - - - - - C:1 - L11/88 - - - - 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, - 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 - - - - 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, - -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 C:1 - TPIS79 - - - - 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, - -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 - - - - 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, - 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, - 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 - - - - 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, - -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, - 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 - - - - 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, - -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:3 C:1 - L11/89 - - - - 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, - 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 - - - - 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, - -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:4 C:1 - L 8/88 - - - - 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, - 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 - - - - 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, - -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 - - - - nonlinear - 141.400 - 3.750 - 0.000 - 2.600 - 13.000 - - - - - - C:1 O:1 - TPIS79 - - - - 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, - -9.044244990E-13, -1.434408600E+04, 3.508409280E+00 - - - - 2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10, - -2.036477160E-14, -1.415187240E+04, 7.818687720E+00 - - - - linear - 98.100 - 3.650 - 0.000 - 1.950 - 1.800 - - - - - - C:1 O:2 - L 7/88 - - - - 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, - -1.436995480E-13, -4.837196970E+04, 9.901052220E+00 - - - - 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, - -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 - - - - linear - 244.000 - 3.760 - 0.000 - 2.650 - 2.100 - - - - - - H:1 C:1 O:1 - L12/89 - - - - 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, - 4.337688650E-12, 3.839564960E+03, 3.394372430E+00 - - - - 2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10, - -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 O:1 - L 8/88 - - - - 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, - 1.317726520E-11, -1.430895670E+04, 6.028129000E-01 - - - - 1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09, - -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - GUNL93 - - - - 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, - 4.369672780E-12, -3.193913670E+03, 5.473022430E+00 - - - - 3.692665690E+00, 8.645767970E-03, -3.751011200E-06, 7.872346360E-10, - -6.485542010E-14, -3.242506270E+03, 5.810432150E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - 121686 - - - - 2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09, - 2.075610000E-12, 9.786011000E+02, 1.315217700E+01 - - - - 3.770799000E+00, 7.871497000E-03, -2.656384000E-06, 3.944431000E-10, - -2.112616000E-14, 1.278325200E+02, 2.929575000E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:4 C:1 O:1 - L 8/88 - - - - 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, - 2.613526980E-11, -2.564276560E+04, -1.504098230E+00 - - - - 1.789707910E+00, 1.409382920E-02, -6.365008350E-06, 1.381710850E-09, - -1.170602200E-13, -2.537487470E+04, 1.450236230E+01 - - - - nonlinear - 481.800 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:2 - L 1/91 - - - - 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, - -1.093315110E-11, 6.683939320E+04, 6.222964380E+00 - - - - 3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10, - -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:2 C:2 - L 1/91 - - - - 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, - -8.500729740E-12, 2.642898070E+04, 1.393970510E+01 - - - - 4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10, - -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:3 C:2 - L 2/92 - - - - 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, - 1.471508730E-11, 3.485984680E+04, 8.510540250E+00 - - - - 3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09, - -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 - - - - nonlinear - 209.000 - 4.100 - 0.000 - 0.000 - 1.000 - - - - - - H:4 C:2 - L 1/91 - - - - 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, - 2.698843730E-11, 5.089775930E+03, 4.097330960E+00 - - - - 2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09, - -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 - - - - nonlinear - 280.800 - 3.970 - 0.000 - 0.000 - 1.500 - - - - - - H:5 C:2 - L12/92 - - - - 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, - 2.305090040E-11, 1.284162650E+04, 4.707209240E+00 - - - - 1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09, - -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:6 C:2 - L 8/88 - - - - 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, - 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 - - - - 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, - -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:1 C:2 O:1 - SRIC91 - - - - 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, - -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 - - - - 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, - -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:2 O:1 - L 5/90 - - - - 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, - -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 - - - - 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, - -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:2 C:2 O:1 - SRI91 - - - - 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, - -1.401459400E-11, 8.031614300E+03, 1.387431900E+01 - - - - 5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10, - -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - N:1 - L 6/88 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, 5.610463700E+04, 4.193908700E+00 - - - - 2.415942900E+00, 1.748906500E-04, -1.190236900E-07, 3.022624500E-11, - -2.036098200E-15, 5.613377300E+04, 4.649609600E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 N:1 - And94 - - - - 3.492908500E+00, 3.117919800E-04, -1.489048400E-06, 2.481644200E-09, - -1.035696700E-12, 4.188062900E+04, 1.848327800E+00 - - - - 2.783692800E+00, 1.329843000E-03, -4.247804700E-07, 7.834850100E-11, - -5.504447000E-15, 4.212084800E+04, 5.740779900E+00 - - - - linear - 80.000 - 2.650 - 0.000 - 0.000 - 4.000 - - - - - - H:2 N:1 - And89 - - - - 4.204002900E+00, -2.106138500E-03, 7.106834800E-06, -5.611519700E-09, - 1.644071700E-12, 2.188591000E+04, -1.418424800E-01 - - - - 2.834742100E+00, 3.207308200E-03, -9.339080400E-07, 1.370295300E-10, - -7.920614400E-15, 2.217195700E+04, 6.520416300E+00 - - - - nonlinear - 80.000 - 2.650 - 0.000 - 2.260 - 4.000 - - - - - - H:3 N:1 - J 6/77 - - - - 4.286027400E+00, -4.660523000E-03, 2.171851300E-05, -2.280888700E-08, - 8.263804600E-12, -6.741728500E+03, -6.253727700E-01 - - - - 2.634452100E+00, 5.666256000E-03, -1.727867600E-06, 2.386716100E-10, - -1.257878600E-14, -6.544695800E+03, 6.566292800E+00 - - - - nonlinear - 481.000 - 2.920 - 1.470 - 0.000 - 10.000 - - - - - - H:1 N:2 - T07/93 - - - - 4.344692700E+00, -4.849707200E-03, 2.005945900E-05, -2.172646400E-08, - 7.946953900E-12, 2.879197300E+04, 2.977941000E+00 - - - - 3.766754400E+00, 2.891508200E-03, -1.041662000E-06, 1.684259400E-10, - -1.009189600E-14, 2.865069700E+04, 4.470506700E+00 - - - - nonlinear - 71.400 - 3.800 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:1 - RUS 78 - - - - 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, - 2.803577000E-12, 9.844623000E+03, 2.280846400E+00 - - - - 3.260605600E+00, 1.191104300E-03, -4.291704800E-07, 6.945766900E-11, - -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - O:2 N:1 - L 7/88 - - - - 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, - 7.835056400E-12, 2.896617900E+03, 6.311991700E+00 - - - - 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, - -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 - - - - nonlinear - 200.000 - 3.500 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:2 - L 7/88 - - - - 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, - -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 - - - - 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, - -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 O:1 N:1 - And93 - - - - 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, - 5.545457300E-12, 1.154829700E+04, 1.749841700E+00 - - - - 2.979250900E+00, 3.494405900E-03, -7.854977800E-07, 5.747959400E-11, - -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 - - - - nonlinear - 116.700 - 3.490 - 0.000 - 0.000 - 1.000 - - - - - - C:1 N:1 - HBH92 - - - - 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, - -4.643035600E-13, 5.170834000E+04, 3.980499500E+00 - - - - 3.745980500E+00, 4.345077500E-05, 2.970598400E-07, -6.865180600E-11, - 4.413417300E-15, 5.153618800E+04, 2.786760100E+00 - - - - linear - 75.000 - 3.860 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:1 - GRI/98 - - - - 2.258988600E+00, 1.005117000E-02, -1.335176300E-05, 1.009234900E-08, - -3.008902800E-12, 1.471263300E+04, 8.916441900E+00 - - - - 3.802239200E+00, 3.146422800E-03, -1.063218500E-06, 1.661975700E-10, - -9.799757000E-15, 1.440729200E+04, 1.575460100E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:1 N:1 - 41687 - - - - 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, - -2.351108100E-13, 2.863782000E+04, 8.992751100E+00 - - - - 5.209703000E+00, 2.969291100E-03, -2.855589100E-07, -1.635550000E-10, - 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:2 - SRI/94 - - - - 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, - -3.235737800E-12, 5.426198400E+04, 1.167587000E+01 - - - - 5.894636200E+00, 3.989595900E-03, -1.598238000E-06, 2.924939500E-10, - -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, - -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 - - - - 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, - -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, - 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 - - - - 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, - -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, - 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 - - - - 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, - -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - C:1 O:1 N:1 - EA 93 - - - - 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, - -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 - - - - 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, - -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - N:2 - 121286 - - - - 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 - - - - 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, - -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - Ar:1 - 120186 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - atom - 136.500 - 3.330 - 0.000 - 0.000 - 0.000 - - - - - - H:7 C:3 - L 9/84 - - - - 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, - 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 - - - - 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, - -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:8 C:3 - L 4/85 - - - - 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, - 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 - - - - 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, - -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:3 C:2 O:1 - SAND86 - - - - 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, - 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 - - - - 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, - -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:4 C:2 O:1 - L 8/88 - - - - 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, - 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 - - - - 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, - -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - - - 2 O + M [=] O2 + M - - - 1.200000E+11 - -1 - 0.000000 - - AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 - - O:2 - O2:1 - - - - - O + H + M [=] OH + M - - - 5.000000E+11 - -1 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 O:1 - OH:1 - - - - - O + H2 [=] H + OH - - - 3.870000E+01 - 2.7000000000000002 - 6260.000000 - - - H2:1 O:1 - H:1 OH:1 - - - - - O + HO2 [=] OH + O2 - - - 2.000000E+10 - 0 - 0.000000 - - - HO2:1 O:1 - O2:1 OH:1 - - - - - O + H2O2 [=] OH + HO2 - - - 9.630000E+03 - 2 - 4000.000000 - - - H2O2:1 O:1 - HO2:1 OH:1 - - - - - O + CH [=] H + CO - - - 5.700000E+10 - 0 - 0.000000 - - - CH:1 O:1 - H:1 CO:1 - - - - - O + CH2 [=] H + HCO - - - 8.000000E+10 - 0 - 0.000000 - - - CH2:1 O:1 - H:1 HCO:1 - - - - - O + CH2(S) [=] H2 + CO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H2:1 CO:1 - - - - - O + CH2(S) [=] H + HCO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H:1 HCO:1 - - - - - O + CH3 [=] H + CH2O - - - 5.060000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - CH2O:1 H:1 - - - - - O + CH4 [=] OH + CH3 - - - 1.020000E+06 - 1.5 - 8600.000000 - - - CH4:1 O:1 - CH3:1 OH:1 - - - - - O + CO (+ M) [=] CO2 (+ M) - - - 1.800000E+07 - 0 - 2385.000000 - - - 6.020000E+08 - 0 - 3000.000000 - - AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 - - - CO:1 O:1 - CO2:1 - - - - - O + HCO [=] OH + CO - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - CO:1 OH:1 - - - - - O + HCO [=] H + CO2 - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - H:1 CO2:1 - - - - - O + CH2O [=] OH + HCO - - - 3.900000E+10 - 0 - 3540.000000 - - - CH2O:1 O:1 - HCO:1 OH:1 - - - - - O + CH2OH [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH2OH:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3O [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH3O:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3OH [=] OH + CH2OH - - - 3.880000E+02 - 2.5 - 3100.000000 - - - CH3OH:1 O:1 - CH2OH:1 OH:1 - - - - - O + CH3OH [=] OH + CH3O - - - 1.300000E+02 - 2.5 - 5000.000000 - - - CH3OH:1 O:1 - CH3O:1 OH:1 - - - - - O + C2H [=] CH + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C2H:1 O:1 - CH:1 CO:1 - - - - - O + C2H2 [=] H + HCCO - - - 1.350000E+04 - 2 - 1900.000000 - - - C2H2:1 O:1 - H:1 HCCO:1 - - - - - O + C2H2 [=] OH + C2H - - - 4.600000E+16 - -1.4099999999999999 - 28950.000000 - - - C2H2:1 O:1 - C2H:1 OH:1 - - - - - O + C2H2 [=] CO + CH2 - - - 6.940000E+03 - 2 - 1900.000000 - - - C2H2:1 O:1 - CH2:1 CO:1 - - - - - O + C2H3 [=] H + CH2CO - - - 3.000000E+10 - 0 - 0.000000 - - - C2H3:1 O:1 - H:1 CH2CO:1 - - - - - O + C2H4 [=] CH3 + HCO - - - 1.250000E+04 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - CH3:1 HCO:1 - - - - - O + C2H5 [=] CH3 + CH2O - - - 2.240000E+10 - 0 - 0.000000 - - - C2H5:1 O:1 - CH2O:1 CH3:1 - - - - - O + C2H6 [=] OH + C2H5 - - - 8.980000E+04 - 1.9199999999999999 - 5690.000000 - - - C2H6:1 O:1 - C2H5:1 OH:1 - - - - - O + HCCO [=] H + 2 CO - - - 1.000000E+11 - 0 - 0.000000 - - - HCCO:1 O:1 - H:1 CO:2 - - - - - O + CH2CO [=] OH + HCCO - - - 1.000000E+10 - 0 - 8000.000000 - - - CH2CO:1 O:1 - HCCO:1 OH:1 - - - - - O + CH2CO [=] CH2 + CO2 - - - 1.750000E+09 - 0 - 1350.000000 - - - CH2CO:1 O:1 - CH2:1 CO2:1 - - - - - O2 + CO [=] O + CO2 - - - 2.500000E+09 - 0 - 47800.000000 - - - CO:1 O2:1 - CO2:1 O:1 - - - - - O2 + CH2O [=] HO2 + HCO - - - 1.000000E+11 - 0 - 40000.000000 - - - CH2O:1 O2:1 - HO2:1 HCO:1 - - - - - H + O2 + M [=] HO2 + M - - - 2.800000E+12 - -0.85999999999999999 - 0.000000 - - AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 - - H:1 O2:1 - HO2:1 - - - - - H + 2 O2 [=] HO2 + O2 - - - 2.080000E+13 - -1.24 - 0.000000 - - - H:1 O2:2 - HO2:1 O2:1 - - - - - H + O2 + H2O [=] HO2 + H2O - - - 1.126000E+13 - -0.76000000000000001 - 0.000000 - - - H:1 H2O:1 O2:1 - H2O:1 HO2:1 - - - - - H + O2 + N2 [=] HO2 + N2 - - - 2.600000E+13 - -1.24 - 0.000000 - - - H:1 N2:1 O2:1 - N2:1 HO2:1 - - - - - H + O2 + AR [=] HO2 + AR - - - 7.000000E+11 - -0.80000000000000004 - 0.000000 - - - H:1 AR:1 O2:1 - AR:1 HO2:1 - - - - - H + O2 [=] O + OH - - - 2.650000E+13 - -0.67069999999999996 - 17041.000000 - - - H:1 O2:1 - O:1 OH:1 - - - - - 2 H + M [=] H2 + M - - - 1.000000E+12 - -1 - 0.000000 - - AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 - - H:2 - H2:1 - - - - - 2 H + H2 [=] 2 H2 - - - 9.000000E+10 - -0.59999999999999998 - 0.000000 - - - H2:1 H:2 - H2:2 - - - - - 2 H + H2O [=] H2 + H2O - - - 6.000000E+13 - -1.25 - 0.000000 - - - H:2 H2O:1 - H2:1 H2O:1 - - - - - 2 H + CO2 [=] H2 + CO2 - - - 5.500000E+14 - -2 - 0.000000 - - - H:2 CO2:1 - H2:1 CO2:1 - - - - - H + OH + M [=] H2O + M - - - 2.200000E+16 - -2 - 0.000000 - - AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 - - H:1 OH:1 - H2O:1 - - - - - H + HO2 [=] O + H2O - - - 3.970000E+09 - 0 - 671.000000 - - - H:1 HO2:1 - H2O:1 O:1 - - - - - H + HO2 [=] O2 + H2 - - - 4.480000E+10 - 0 - 1068.000000 - - - H:1 HO2:1 - H2:1 O2:1 - - - - - H + HO2 [=] 2 OH - - - 8.400000E+10 - 0 - 635.000000 - - - H:1 HO2:1 - OH:2 - - - - - H + H2O2 [=] HO2 + H2 - - - 1.210000E+04 - 2 - 5200.000000 - - - H:1 H2O2:1 - H2:1 HO2:1 - - - - - H + H2O2 [=] OH + H2O - - - 1.000000E+10 - 0 - 3600.000000 - - - H:1 H2O2:1 - H2O:1 OH:1 - - - - - H + CH [=] C + H2 - - - 1.650000E+11 - 0 - 0.000000 - - - H:1 CH:1 - H2:1 C:1 - - - - - H + CH2 (+ M) [=] CH3 (+ M) - - - 6.000000E+11 - 0 - 0.000000 - - - 1.040000E+20 - -2.7599999999999998 - 1600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.562 91 5836 8552 - - H:1 CH2:1 - CH3:1 - - - - - H + CH2(S) [=] CH + H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 CH2(S):1 - H2:1 CH:1 - - - - - H + CH3 (+ M) [=] CH4 (+ M) - - - 1.390000E+13 - -0.53400000000000003 - 536.000000 - - - 2.620000E+27 - -4.7599999999999998 - 2440.000000 - - AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 - 0.783 74 2941 6964 - - H:1 CH3:1 - CH4:1 - - - - - H + CH4 [=] CH3 + H2 - - - 6.600000E+05 - 1.6200000000000001 - 10840.000000 - - - H:1 CH4:1 - H2:1 CH3:1 - - - - - H + HCO (+ M) [=] CH2O (+ M) - - - 1.090000E+09 - 0.47999999999999998 - -260.000000 - - - 2.470000E+18 - -2.5699999999999998 - 425.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7824 271 2755 6570 - - H:1 HCO:1 - CH2O:1 - - - - - H + HCO [=] H2 + CO - - - 7.340000E+10 - 0 - 0.000000 - - - H:1 HCO:1 - H2:1 CO:1 - - - - - H + CH2O (+ M) [=] CH2OH (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 3600.000000 - - - 1.270000E+26 - -4.8200000000000003 - 6530.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7187 103 1291 4160 - - CH2O:1 H:1 - CH2OH:1 - - - - - H + CH2O (+ M) [=] CH3O (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 2600.000000 - - - 2.200000E+24 - -4.7999999999999998 - 5560.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.758 94 1555 4200 - - CH2O:1 H:1 - CH3O:1 - - - - - H + CH2O [=] HCO + H2 - - - 5.740000E+04 - 1.8999999999999999 - 2742.000000 - - - CH2O:1 H:1 - H2:1 HCO:1 - - - - - H + CH2OH (+ M) [=] CH3OH (+ M) - - - 1.055000E+09 - 0.5 - 86.000000 - - - 4.360000E+25 - -4.6500000000000004 - 5080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6 100 90000 10000 - - H:1 CH2OH:1 - CH3OH:1 - - - - - H + CH2OH [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH2OH:1 - H2:1 CH2O:1 - - - - - H + CH2OH [=] OH + CH3 - - - 1.650000E+08 - 0.65000000000000002 - -284.000000 - - - H:1 CH2OH:1 - CH3:1 OH:1 - - - - - H + CH2OH [=] CH2(S) + H2O - - - 3.280000E+10 - -0.089999999999999997 - 610.000000 - - - H:1 CH2OH:1 - CH2(S):1 H2O:1 - - - - - H + CH3O (+ M) [=] CH3OH (+ M) - - - 2.430000E+09 - 0.51500000000000001 - 50.000000 - - - 4.660000E+35 - -7.4400000000000004 - 14080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7 100 90000 10000 - - H:1 CH3O:1 - CH3OH:1 - - - - - H + CH3O [=] H + CH2OH - - - 4.150000E+04 - 1.6299999999999999 - 1924.000000 - - - H:1 CH3O:1 - H:1 CH2OH:1 - - - - - H + CH3O [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH3O:1 - H2:1 CH2O:1 - - - - - H + CH3O [=] OH + CH3 - - - 1.500000E+09 - 0.5 - -110.000000 - - - H:1 CH3O:1 - CH3:1 OH:1 - - - - - H + CH3O [=] CH2(S) + H2O - - - 2.620000E+11 - -0.23000000000000001 - 1070.000000 - - - H:1 CH3O:1 - CH2(S):1 H2O:1 - - - - - H + CH3OH [=] CH2OH + H2 - - - 1.700000E+04 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH2OH:1 - - - - - H + CH3OH [=] CH3O + H2 - - - 4.200000E+03 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH3O:1 - - - - - H + C2H (+ M) [=] C2H2 (+ M) - - - 1.000000E+14 - -1 - 0.000000 - - - 3.750000E+27 - -4.7999999999999998 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6464 132 1315 5566 - - H:1 C2H:1 - C2H2:1 - - - - - H + C2H2 (+ M) [=] C2H3 (+ M) - - - 5.600000E+09 - 0 - 2400.000000 - - - 3.800000E+34 - -7.2699999999999996 - 7220.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7507 98.5 1302 4167 - - H:1 C2H2:1 - C2H3:1 - - - - - H + C2H3 (+ M) [=] C2H4 (+ M) - - - 6.080000E+09 - 0.27000000000000002 - 280.000000 - - - 1.400000E+24 - -3.8599999999999999 - 3320.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.782 207.5 2663 6095 - - H:1 C2H3:1 - C2H4:1 - - - - - H + C2H3 [=] H2 + C2H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 C2H3:1 - H2:1 C2H2:1 - - - - - H + C2H4 (+ M) [=] C2H5 (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 1820.000000 - - - 6.000000E+35 - -7.6200000000000001 - 6970.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.9753 210 984 4374 - - H:1 C2H4:1 - C2H5:1 - - - - - H + C2H4 [=] C2H3 + H2 - - - 1.325000E+03 - 2.5299999999999998 - 12240.000000 - - - H:1 C2H4:1 - H2:1 C2H3:1 - - - - - H + C2H5 (+ M) [=] C2H6 (+ M) - - - 5.210000E+14 - -0.98999999999999999 - 1580.000000 - - - 1.990000E+35 - -7.0800000000000001 - 6685.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.8422 125 2219 6882 - - H:1 C2H5:1 - C2H6:1 - - - - - H + C2H5 [=] H2 + C2H4 - - - 2.000000E+09 - 0 - 0.000000 - - - H:1 C2H5:1 - H2:1 C2H4:1 - - - - - H + C2H6 [=] C2H5 + H2 - - - 1.150000E+05 - 1.8999999999999999 - 7530.000000 - - - H:1 C2H6:1 - H2:1 C2H5:1 - - - - - H + HCCO [=] CH2(S) + CO - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCCO:1 - CH2(S):1 CO:1 - - - - - H + CH2CO [=] HCCO + H2 - - - 5.000000E+10 - 0 - 8000.000000 - - - H:1 CH2CO:1 - H2:1 HCCO:1 - - - - - H + CH2CO [=] CH3 + CO - - - 1.130000E+10 - 0 - 3428.000000 - - - H:1 CH2CO:1 - CH3:1 CO:1 - - - - - H + HCCOH [=] H + CH2CO - - - 1.000000E+10 - 0 - 0.000000 - - - H:1 HCCOH:1 - H:1 CH2CO:1 - - - - - H2 + CO (+ M) [=] CH2O (+ M) - - - 4.300000E+04 - 1.5 - 79600.000000 - - - 5.070000E+21 - -3.4199999999999999 - 84350.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.932 197 1540 10300 - - H2:1 CO:1 - CH2O:1 - - - - - OH + H2 [=] H + H2O - - - 2.160000E+05 - 1.51 - 3430.000000 - - - H2:1 OH:1 - H:1 H2O:1 - - - - - 2 OH (+ M) [=] H2O2 (+ M) - - - 7.400000E+10 - -0.37 - 0.000000 - - - 2.300000E+12 - -0.90000000000000002 - -1700.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7346 94 1756 5182 - - OH:2 - H2O2:1 - - - - - 2 OH [=] O + H2O - - - 3.570000E+01 - 2.3999999999999999 - -2110.000000 - - - OH:2 - H2O:1 O:1 - - - - - OH + HO2 [=] O2 + H2O - - - 1.450000E+10 - 0 - -500.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 2.000000E+09 - 0 - 427.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 1.700000E+15 - 0 - 29410.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + C [=] H + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 OH:1 - H:1 CO:1 - - - - - OH + CH [=] H + HCO - - - 3.000000E+10 - 0 - 0.000000 - - - CH:1 OH:1 - H:1 HCO:1 - - - - - OH + CH2 [=] H + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 OH:1 - CH2O:1 H:1 - - - - - OH + CH2 [=] CH + H2O - - - 1.130000E+04 - 2 - 3000.000000 - - - CH2:1 OH:1 - H2O:1 CH:1 - - - - - OH + CH2(S) [=] H + CH2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 OH:1 - CH2O:1 H:1 - - - - - OH + CH3 (+ M) [=] CH3OH (+ M) - - - 2.790000E+15 - -1.4299999999999999 - 1330.000000 - - - 4.000000E+30 - -5.9199999999999999 - 3140.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.412 195 5900 6394 - - CH3:1 OH:1 - CH3OH:1 - - - - - OH + CH3 [=] CH2 + H2O - - - 5.600000E+04 - 1.6000000000000001 - 5420.000000 - - - CH3:1 OH:1 - CH2:1 H2O:1 - - - - - OH + CH3 [=] CH2(S) + H2O - - - 6.440000E+14 - -1.3400000000000001 - 1417.000000 - - - CH3:1 OH:1 - CH2(S):1 H2O:1 - - - - - OH + CH4 [=] CH3 + H2O - - - 1.000000E+05 - 1.6000000000000001 - 3120.000000 - - - CH4:1 OH:1 - H2O:1 CH3:1 - - - - - OH + CO [=] H + CO2 - - - 4.760000E+04 - 1.228 - 70.000000 - - - CO:1 OH:1 - H:1 CO2:1 - - - - - OH + HCO [=] H2O + CO - - - 5.000000E+10 - 0 - 0.000000 - - - HCO:1 OH:1 - H2O:1 CO:1 - - - - - OH + CH2O [=] HCO + H2O - - - 3.430000E+06 - 1.1799999999999999 - -447.000000 - - - CH2O:1 OH:1 - H2O:1 HCO:1 - - - - - OH + CH2OH [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH2OH:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3O [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH3O:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3OH [=] CH2OH + H2O - - - 1.440000E+03 - 2 - -840.000000 - - - CH3OH:1 OH:1 - CH2OH:1 H2O:1 - - - - - OH + CH3OH [=] CH3O + H2O - - - 6.300000E+03 - 2 - 1500.000000 - - - CH3OH:1 OH:1 - H2O:1 CH3O:1 - - - - - OH + C2H [=] H + HCCO - - - 2.000000E+10 - 0 - 0.000000 - - - C2H:1 OH:1 - H:1 HCCO:1 - - - - - OH + C2H2 [=] H + CH2CO - - - 2.180000E-07 - 4.5 - -1000.000000 - - - C2H2:1 OH:1 - H:1 CH2CO:1 - - - - - OH + C2H2 [=] H + HCCOH - - - 5.040000E+02 - 2.2999999999999998 - 13500.000000 - - - C2H2:1 OH:1 - H:1 HCCOH:1 - - - - - OH + C2H2 [=] C2H + H2O - - - 3.370000E+04 - 2 - 14000.000000 - - - C2H2:1 OH:1 - C2H:1 H2O:1 - - - - - OH + C2H2 [=] CH3 + CO - - - 4.830000E-07 - 4 - -2000.000000 - - - C2H2:1 OH:1 - CH3:1 CO:1 - - - - - OH + C2H3 [=] H2O + C2H2 - - - 5.000000E+09 - 0 - 0.000000 - - - C2H3:1 OH:1 - H2O:1 C2H2:1 - - - - - OH + C2H4 [=] C2H3 + H2O - - - 3.600000E+03 - 2 - 2500.000000 - - - C2H4:1 OH:1 - H2O:1 C2H3:1 - - - - - OH + C2H6 [=] C2H5 + H2O - - - 3.540000E+03 - 2.1200000000000001 - 870.000000 - - - C2H6:1 OH:1 - C2H5:1 H2O:1 - - - - - OH + CH2CO [=] HCCO + H2O - - - 7.500000E+09 - 0 - 2000.000000 - - - CH2CO:1 OH:1 - H2O:1 HCCO:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 1.300000E+08 - 0 - -1630.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 4.200000E+11 - 0 - 12000.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - HO2 + CH2 [=] OH + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 HO2:1 - CH2O:1 OH:1 - - - - - HO2 + CH3 [=] O2 + CH4 - - - 1.000000E+09 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH4:1 O2:1 - - - - - HO2 + CH3 [=] OH + CH3O - - - 3.780000E+10 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH3O:1 OH:1 - - - - - HO2 + CO [=] OH + CO2 - - - 1.500000E+11 - 0 - 23600.000000 - - - CO:1 HO2:1 - CO2:1 OH:1 - - - - - HO2 + CH2O [=] HCO + H2O2 - - - 5.600000E+03 - 2 - 12000.000000 - - - CH2O:1 HO2:1 - HCO:1 H2O2:1 - - - - - C + O2 [=] O + CO - - - 5.800000E+10 - 0 - 576.000000 - - - C:1 O2:1 - CO:1 O:1 - - - - - C + CH2 [=] H + C2H - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH2:1 - H:1 C2H:1 - - - - - C + CH3 [=] H + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH3:1 - H:1 C2H2:1 - - - - - CH + O2 [=] O + HCO - - - 6.710000E+10 - 0 - 0.000000 - - - CH:1 O2:1 - HCO:1 O:1 - - - - - CH + H2 [=] H + CH2 - - - 1.080000E+11 - 0 - 3110.000000 - - - H2:1 CH:1 - H:1 CH2:1 - - - - - CH + H2O [=] H + CH2O - - - 5.710000E+09 - 0 - -755.000000 - - - H2O:1 CH:1 - CH2O:1 H:1 - - - - - CH + CH2 [=] H + C2H2 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH:1 - H:1 C2H2:1 - - - - - CH + CH3 [=] H + C2H3 - - - 3.000000E+10 - 0 - 0.000000 - - - CH3:1 CH:1 - H:1 C2H3:1 - - - - - CH + CH4 [=] H + C2H4 - - - 6.000000E+10 - 0 - 0.000000 - - - CH:1 CH4:1 - H:1 C2H4:1 - - - - - CH + CO (+ M) [=] HCCO (+ M) - - - 5.000000E+10 - 0 - 0.000000 - - - 2.690000E+22 - -3.7400000000000002 - 1936.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5757 237 1652 5069 - - CH:1 CO:1 - HCCO:1 - - - - - CH + CO2 [=] HCO + CO - - - 1.900000E+11 - 0 - 15792.000000 - - - CH:1 CO2:1 - CO:1 HCO:1 - - - - - CH + CH2O [=] H + CH2CO - - - 9.460000E+10 - 0 - -515.000000 - - - CH2O:1 CH:1 - H:1 CH2CO:1 - - - - - CH + HCCO [=] CO + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - CH:1 HCCO:1 - CO:1 C2H2:1 - - - - - CH2 + O2 =] OH + H + CO - - - 5.000000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2 + H2 [=] H + CH3 - - - 5.000000E+02 - 2 - 7230.000000 - - - H2:1 CH2:1 - H:1 CH3:1 - - - - - 2 CH2 [=] H2 + C2H2 - - - 1.600000E+12 - 0 - 11944.000000 - - - CH2:2 - H2:1 C2H2:1 - - - - - CH2 + CH3 [=] H + C2H4 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH3:1 - H:1 C2H4:1 - - - - - CH2 + CH4 [=] 2 CH3 - - - 2.460000E+03 - 2 - 8270.000000 - - - CH2:1 CH4:1 - CH3:2 - - - - - CH2 + CO (+ M) [=] CH2CO (+ M) - - - 8.100000E+08 - 0.5 - 4510.000000 - - - 2.690000E+27 - -5.1100000000000003 - 7095.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5907 275 1226 5185 - - CH2:1 CO:1 - CH2CO:1 - - - - - CH2 + HCCO [=] C2H3 + CO - - - 3.000000E+10 - 0 - 0.000000 - - - CH2:1 HCCO:1 - CO:1 C2H3:1 - - - - - CH2(S) + N2 [=] CH2 + N2 - - - 1.500000E+10 - 0 - 600.000000 - - - CH2(S):1 N2:1 - CH2:1 N2:1 - - - - - CH2(S) + AR [=] CH2 + AR - - - 9.000000E+09 - 0 - 600.000000 - - - CH2(S):1 AR:1 - CH2:1 AR:1 - - - - - CH2(S) + O2 [=] H + OH + CO - - - 2.800000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2(S) + O2 [=] CO + H2O - - - 1.200000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H2O:1 CO:1 - - - - - CH2(S) + H2 [=] CH3 + H - - - 7.000000E+10 - 0 - 0.000000 - - - H2:1 CH2(S):1 - H:1 CH3:1 - - - - - CH2(S) + H2O (+ M) [=] CH3OH (+ M) - - - 4.820000E+14 - -1.1599999999999999 - 1145.000000 - - - 1.880000E+32 - -6.3600000000000003 - 5040.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6027 208 3922 10180 - - CH2(S):1 H2O:1 - CH3OH:1 - - - - - CH2(S) + H2O [=] CH2 + H2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 H2O:1 - CH2:1 H2O:1 - - - - - CH2(S) + CH3 [=] H + C2H4 - - - 1.200000E+10 - 0 - -570.000000 - - - CH2(S):1 CH3:1 - H:1 C2H4:1 - - - - - CH2(S) + CH4 [=] 2 CH3 - - - 1.600000E+10 - 0 - -570.000000 - - - CH2(S):1 CH4:1 - CH3:2 - - - - - CH2(S) + CO [=] CH2 + CO - - - 9.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO:1 - CH2:1 CO:1 - - - - - CH2(S) + CO2 [=] CH2 + CO2 - - - 7.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2:1 CO2:1 - - - - - CH2(S) + CO2 [=] CO + CH2O - - - 1.400000E+10 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2O:1 CO:1 - - - - - CH2(S) + C2H6 [=] CH3 + C2H5 - - - 4.000000E+10 - 0 - -550.000000 - - - CH2(S):1 C2H6:1 - C2H5:1 CH3:1 - - - - - CH3 + O2 [=] O + CH3O - - - 3.560000E+10 - 0 - 30480.000000 - - - CH3:1 O2:1 - CH3O:1 O:1 - - - - - CH3 + O2 [=] OH + CH2O - - - 2.310000E+09 - 0 - 20315.000000 - - - CH3:1 O2:1 - CH2O:1 OH:1 - - - - - CH3 + H2O2 [=] HO2 + CH4 - - - 2.450000E+01 - 2.4700000000000002 - 5180.000000 - - - CH3:1 H2O2:1 - CH4:1 HO2:1 - - - - - 2 CH3 (+ M) [=] C2H6 (+ M) - - - 6.770000E+13 - -1.1799999999999999 - 654.000000 - - - 3.400000E+35 - -7.0300000000000002 - 2762.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.619 73.2 1180 9999 - - CH3:2 - C2H6:1 - - - - - 2 CH3 [=] H + C2H5 - - - 6.840000E+09 - 0.10000000000000001 - 10600.000000 - - - CH3:2 - H:1 C2H5:1 - - - - - CH3 + HCO [=] CH4 + CO - - - 2.648000E+10 - 0 - 0.000000 - - - CH3:1 HCO:1 - CO:1 CH4:1 - - - - - CH3 + CH2O [=] HCO + CH4 - - - 3.320000E+00 - 2.8100000000000001 - 5860.000000 - - - CH2O:1 CH3:1 - CH4:1 HCO:1 - - - - - CH3 + CH3OH [=] CH2OH + CH4 - - - 3.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH2OH:1 CH4:1 - - - - - CH3 + CH3OH [=] CH3O + CH4 - - - 1.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH3O:1 CH4:1 - - - - - CH3 + C2H4 [=] C2H3 + CH4 - - - 2.270000E+02 - 2 - 9200.000000 - - - CH3:1 C2H4:1 - CH4:1 C2H3:1 - - - - - CH3 + C2H6 [=] C2H5 + CH4 - - - 6.140000E+03 - 1.74 - 10450.000000 - - - C2H6:1 CH3:1 - C2H5:1 CH4:1 - - - - - HCO + H2O [=] H + CO + H2O - - - 1.500000E+15 - -1 - 17000.000000 - - - H2O:1 HCO:1 - H:1 H2O:1 CO:1 - - - - - HCO + M [=] H + CO + M - - - 1.870000E+14 - -1 - 17000.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 - - HCO:1 - H:1 CO:1 - - - - - HCO + O2 [=] HO2 + CO - - - 1.345000E+10 - 0 - 400.000000 - - - HCO:1 O2:1 - CO:1 HO2:1 - - - - - CH2OH + O2 [=] HO2 + CH2O - - - 1.800000E+10 - 0 - 900.000000 - - - CH2OH:1 O2:1 - CH2O:1 HO2:1 - - - - - CH3O + O2 [=] HO2 + CH2O - - - 4.280000E-16 - 7.5999999999999996 - -3530.000000 - - - CH3O:1 O2:1 - CH2O:1 HO2:1 - - - - - C2H + O2 [=] HCO + CO - - - 1.000000E+10 - 0 - -755.000000 - - - C2H:1 O2:1 - CO:1 HCO:1 - - - - - C2H + H2 [=] H + C2H2 - - - 5.680000E+07 - 0.90000000000000002 - 1993.000000 - - - H2:1 C2H:1 - H:1 C2H2:1 - - - - - C2H3 + O2 [=] HCO + CH2O - - - 4.580000E+13 - -1.3899999999999999 - 1015.000000 - - - C2H3:1 O2:1 - CH2O:1 HCO:1 - - - - - C2H4 (+ M) [=] H2 + C2H2 (+ M) - - - 8.000000E+12 - 0.44 - 86770.000000 - - - 1.580000E+48 - -9.3000000000000007 - 97800.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7345 180 1035 5417 - - C2H4:1 - H2:1 C2H2:1 - - - - - C2H5 + O2 [=] HO2 + C2H4 - - - 8.400000E+08 - 0 - 3875.000000 - - - C2H5:1 O2:1 - C2H4:1 HO2:1 - - - - - HCCO + O2 [=] OH + 2 CO - - - 3.200000E+09 - 0 - 854.000000 - - - HCCO:1 O2:1 - CO:2 OH:1 - - - - - 2 HCCO [=] 2 CO + C2H2 - - - 1.000000E+10 - 0 - 0.000000 - - - HCCO:2 - CO:2 C2H2:1 - - - - - N + NO [=] N2 + O - - - 2.700000E+10 - 0 - 355.000000 - - - NO:1 N:1 - N2:1 O:1 - - - - - N + O2 [=] NO + O - - - 9.000000E+06 - 1 - 6500.000000 - - - O2:1 N:1 - O:1 NO:1 - - - - - N + OH [=] NO + H - - - 3.360000E+10 - 0 - 385.000000 - - - OH:1 N:1 - H:1 NO:1 - - - - - N2O + O [=] N2 + O2 - - - 1.400000E+09 - 0 - 10810.000000 - - - N2O:1 O:1 - N2:1 O2:1 - - - - - N2O + O [=] 2 NO - - - 2.900000E+10 - 0 - 23150.000000 - - - N2O:1 O:1 - NO:2 - - - - - N2O + H [=] N2 + OH - - - 3.870000E+11 - 0 - 18880.000000 - - - H:1 N2O:1 - N2:1 OH:1 - - - - - N2O + OH [=] N2 + HO2 - - - 2.000000E+09 - 0 - 21060.000000 - - - N2O:1 OH:1 - N2:1 HO2:1 - - - - - N2O (+ M) [=] N2 + O (+ M) - - - 7.910000E+10 - 0 - 56020.000000 - - - 6.370000E+11 - 0 - 56640.000000 - - AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - N2O:1 - N2:1 O:1 - - - - - HO2 + NO [=] NO2 + OH - - - 2.110000E+09 - 0 - -480.000000 - - - HO2:1 NO:1 - NO2:1 OH:1 - - - - - NO + O + M [=] NO2 + M - - - 1.060000E+14 - -1.4099999999999999 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - O:1 NO:1 - NO2:1 - - - - - NO2 + O [=] NO + O2 - - - 3.900000E+09 - 0 - -240.000000 - - - O:1 NO2:1 - O2:1 NO:1 - - - - - NO2 + H [=] NO + OH - - - 1.320000E+11 - 0 - 360.000000 - - - H:1 NO2:1 - OH:1 NO:1 - - - - - NH + O [=] NO + H - - - 4.000000E+10 - 0 - 0.000000 - - - NH:1 O:1 - H:1 NO:1 - - - - - NH + H [=] N + H2 - - - 3.200000E+10 - 0 - 330.000000 - - - NH:1 H:1 - H2:1 N:1 - - - - - NH + OH [=] HNO + H - - - 2.000000E+10 - 0 - 0.000000 - - - NH:1 OH:1 - H:1 HNO:1 - - - - - NH + OH [=] N + H2O - - - 2.000000E+06 - 1.2 - 0.000000 - - - NH:1 OH:1 - H2O:1 N:1 - - - - - NH + O2 [=] HNO + O - - - 4.610000E+02 - 2 - 6500.000000 - - - NH:1 O2:1 - O:1 HNO:1 - - - - - NH + O2 [=] NO + OH - - - 1.280000E+03 - 1.5 - 100.000000 - - - NH:1 O2:1 - OH:1 NO:1 - - - - - NH + N [=] N2 + H - - - 1.500000E+10 - 0 - 0.000000 - - - NH:1 N:1 - H:1 N2:1 - - - - - NH + H2O [=] HNO + H2 - - - 2.000000E+10 - 0 - 13850.000000 - - - NH:1 H2O:1 - H2:1 HNO:1 - - - - - NH + NO [=] N2 + OH - - - 2.160000E+10 - -0.23000000000000001 - 0.000000 - - - NH:1 NO:1 - N2:1 OH:1 - - - - - NH + NO [=] N2O + H - - - 3.650000E+11 - -0.45000000000000001 - 0.000000 - - - NH:1 NO:1 - H:1 N2O:1 - - - - - NH2 + O [=] OH + NH - - - 3.000000E+09 - 0 - 0.000000 - - - O:1 NH2:1 - NH:1 OH:1 - - - - - NH2 + O [=] H + HNO - - - 3.900000E+10 - 0 - 0.000000 - - - O:1 NH2:1 - H:1 HNO:1 - - - - - NH2 + H [=] NH + H2 - - - 4.000000E+10 - 0 - 3650.000000 - - - H:1 NH2:1 - NH:1 H2:1 - - - - - NH2 + OH [=] NH + H2O - - - 9.000000E+04 - 1.5 - -460.000000 - - - OH:1 NH2:1 - NH:1 H2O:1 - - - - - NNH [=] N2 + H - - - 3.300000E+08 - 0 - 0.000000 - - - NNH:1 - H:1 N2:1 - - - - - NNH + M [=] N2 + H + M - - - 1.300000E+11 - -0.11 - 4980.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NNH:1 - H:1 N2:1 - - - - - NNH + O2 [=] HO2 + N2 - - - 5.000000E+09 - 0 - 0.000000 - - - O2:1 NNH:1 - N2:1 HO2:1 - - - - - NNH + O [=] OH + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - N2:1 OH:1 - - - - - NNH + O [=] NH + NO - - - 7.000000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - NH:1 NO:1 - - - - - NNH + H [=] H2 + N2 - - - 5.000000E+10 - 0 - 0.000000 - - - H:1 NNH:1 - H2:1 N2:1 - - - - - NNH + OH [=] H2O + N2 - - - 2.000000E+10 - 0 - 0.000000 - - - OH:1 NNH:1 - H2O:1 N2:1 - - - - - NNH + CH3 [=] CH4 + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - CH3:1 NNH:1 - N2:1 CH4:1 - - - - - H + NO + M [=] HNO + M - - - 4.480000E+13 - -1.3200000000000001 - 740.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 NO:1 - HNO:1 - - - - - HNO + O [=] NO + OH - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 HNO:1 - OH:1 NO:1 - - - - - HNO + H [=] H2 + NO - - - 9.000000E+08 - 0.71999999999999997 - 660.000000 - - - H:1 HNO:1 - H2:1 NO:1 - - - - - HNO + OH [=] NO + H2O - - - 1.300000E+04 - 1.8999999999999999 - -950.000000 - - - HNO:1 OH:1 - H2O:1 NO:1 - - - - - HNO + O2 [=] HO2 + NO - - - 1.000000E+10 - 0 - 13000.000000 - - - O2:1 HNO:1 - HO2:1 NO:1 - - - - - CN + O [=] CO + N - - - 7.700000E+10 - 0 - 0.000000 - - - CN:1 O:1 - CO:1 N:1 - - - - - CN + OH [=] NCO + H - - - 4.000000E+10 - 0 - 0.000000 - - - CN:1 OH:1 - H:1 NCO:1 - - - - - CN + H2O [=] HCN + OH - - - 8.000000E+09 - 0 - 7460.000000 - - - H2O:1 CN:1 - HCN:1 OH:1 - - - - - CN + O2 [=] NCO + O - - - 6.140000E+09 - 0 - -440.000000 - - - CN:1 O2:1 - O:1 NCO:1 - - - - - CN + H2 [=] HCN + H - - - 2.950000E+02 - 2.4500000000000002 - 2240.000000 - - - H2:1 CN:1 - H:1 HCN:1 - - - - - NCO + O [=] NO + CO - - - 2.350000E+10 - 0 - 0.000000 - - - O:1 NCO:1 - CO:1 NO:1 - - - - - NCO + H [=] NH + CO - - - 5.400000E+10 - 0 - 0.000000 - - - H:1 NCO:1 - NH:1 CO:1 - - - - - NCO + OH [=] NO + H + CO - - - 2.500000E+09 - 0 - 0.000000 - - - OH:1 NCO:1 - H:1 CO:1 NO:1 - - - - - NCO + N [=] N2 + CO - - - 2.000000E+10 - 0 - 0.000000 - - - N:1 NCO:1 - N2:1 CO:1 - - - - - NCO + O2 [=] NO + CO2 - - - 2.000000E+09 - 0 - 20000.000000 - - - O2:1 NCO:1 - CO2:1 NO:1 - - - - - NCO + M [=] N + CO + M - - - 3.100000E+11 - 0 - 54050.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NCO:1 - CO:1 N:1 - - - - - NCO + NO [=] N2O + CO - - - 1.900000E+14 - -1.52 - 740.000000 - - - NO:1 NCO:1 - CO:1 N2O:1 - - - - - NCO + NO [=] N2 + CO2 - - - 3.800000E+15 - -2 - 800.000000 - - - NO:1 NCO:1 - N2:1 CO2:1 - - - - - HCN + M [=] H + CN + M - - - 1.040000E+26 - -3.2999999999999998 - 126600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HCN:1 - H:1 CN:1 - - - - - HCN + O [=] NCO + H - - - 2.030000E+01 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - H:1 NCO:1 - - - - - HCN + O [=] NH + CO - - - 5.070000E+00 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - NH:1 CO:1 - - - - - HCN + O [=] CN + OH - - - 3.910000E+06 - 1.5800000000000001 - 26600.000000 - - - HCN:1 O:1 - CN:1 OH:1 - - - - - HCN + OH [=] HOCN + H - - - 1.100000E+03 - 2.0299999999999998 - 13370.000000 - - - HCN:1 OH:1 - HOCN:1 H:1 - - - - - HCN + OH [=] HNCO + H - - - 4.400000E+00 - 2.2599999999999998 - 6400.000000 - - - HCN:1 OH:1 - HNCO:1 H:1 - - - - - HCN + OH [=] NH2 + CO - - - 1.600000E-01 - 2.5600000000000001 - 9000.000000 - - - HCN:1 OH:1 - CO:1 NH2:1 - - - - - H + HCN (+ M) [=] H2CN (+ M) - - - 3.300000E+10 - 0 - 0.000000 - - - 1.400000E+20 - -3.3999999999999999 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - H:1 HCN:1 - H2CN:1 - - - - - H2CN + N [=] N2 + CH2 - - - 6.000000E+10 - 0 - 400.000000 - - - H2CN:1 N:1 - N2:1 CH2:1 - - - - - C + N2 [=] CN + N - - - 6.300000E+10 - 0 - 46020.000000 - - - C:1 N2:1 - CN:1 N:1 - - - - - CH + N2 [=] HCN + N - - - 3.120000E+06 - 0.88 - 20130.000000 - - - N2:1 CH:1 - HCN:1 N:1 - - - - - CH + N2 (+ M) [=] HCNN (+ M) - - - 3.100000E+09 - 0.14999999999999999 - 0.000000 - - - 1.300000E+19 - -3.1600000000000001 - 740.000000 - - AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.667 235 2117 4536 - - N2:1 CH:1 - HCNN:1 - - - - - CH2 + N2 [=] HCN + NH - - - 1.000000E+10 - 0 - 74000.000000 - - - CH2:1 N2:1 - NH:1 HCN:1 - - - - - CH2(S) + N2 [=] NH + HCN - - - 1.000000E+08 - 0 - 65000.000000 - - - CH2(S):1 N2:1 - NH:1 HCN:1 - - - - - C + NO [=] CN + O - - - 1.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CN:1 O:1 - - - - - C + NO [=] CO + N - - - 2.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CO:1 N:1 - - - - - CH + NO [=] HCN + O - - - 4.100000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCN:1 O:1 - - - - - CH + NO [=] H + NCO - - - 1.620000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - H:1 NCO:1 - - - - - CH + NO [=] N + HCO - - - 2.460000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCO:1 N:1 - - - - - CH2 + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2:1 NO:1 - HNCO:1 H:1 - - - - - CH2 + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2:1 NO:1 - HCN:1 OH:1 - - - - - CH2 + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2:1 NO:1 - H:1 HCNO:1 - - - - - CH2(S) + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2(S):1 NO:1 - HNCO:1 H:1 - - - - - CH2(S) + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2(S):1 NO:1 - HCN:1 OH:1 - - - - - CH2(S) + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2(S):1 NO:1 - H:1 HCNO:1 - - - - - CH3 + NO [=] HCN + H2O - - - 9.600000E+10 - 0 - 28800.000000 - - - CH3:1 NO:1 - H2O:1 HCN:1 - - - - - CH3 + NO [=] H2CN + OH - - - 1.000000E+09 - 0 - 21750.000000 - - - CH3:1 NO:1 - H2CN:1 OH:1 - - - - - HCNN + O [=] CO + H + N2 - - - 2.200000E+10 - 0 - 0.000000 - - - O:1 HCNN:1 - H:1 N2:1 CO:1 - - - - - HCNN + O [=] HCN + NO - - - 2.000000E+09 - 0 - 0.000000 - - - O:1 HCNN:1 - HCN:1 NO:1 - - - - - HCNN + O2 [=] O + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - O2:1 HCNN:1 - N2:1 HCO:1 O:1 - - - - - HCNN + OH [=] H + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - OH:1 HCNN:1 - H:1 N2:1 HCO:1 - - - - - HCNN + H [=] CH2 + N2 - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCNN:1 - CH2:1 N2:1 - - - - - HNCO + O [=] NH + CO2 - - - 9.800000E+04 - 1.4099999999999999 - 8500.000000 - - - HNCO:1 O:1 - NH:1 CO2:1 - - - - - HNCO + O [=] HNO + CO - - - 1.500000E+05 - 1.5700000000000001 - 44000.000000 - - - HNCO:1 O:1 - CO:1 HNO:1 - - - - - HNCO + O [=] NCO + OH - - - 2.200000E+03 - 2.1099999999999999 - 11400.000000 - - - HNCO:1 O:1 - OH:1 NCO:1 - - - - - HNCO + H [=] NH2 + CO - - - 2.250000E+04 - 1.7 - 3800.000000 - - - HNCO:1 H:1 - CO:1 NH2:1 - - - - - HNCO + H [=] H2 + NCO - - - 1.050000E+02 - 2.5 - 13300.000000 - - - HNCO:1 H:1 - H2:1 NCO:1 - - - - - HNCO + OH [=] NCO + H2O - - - 3.300000E+04 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - H2O:1 NCO:1 - - - - - HNCO + OH [=] NH2 + CO2 - - - 3.300000E+03 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - CO2:1 NH2:1 - - - - - HNCO + M [=] NH + CO + M - - - 1.180000E+13 - 0 - 84720.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HNCO:1 - NH:1 CO:1 - - - - - HCNO + H [=] H + HNCO - - - 2.100000E+12 - -0.68999999999999995 - 2850.000000 - - - H:1 HCNO:1 - HNCO:1 H:1 - - - - - HCNO + H [=] OH + HCN - - - 2.700000E+08 - 0.17999999999999999 - 2120.000000 - - - H:1 HCNO:1 - HCN:1 OH:1 - - - - - HCNO + H [=] NH2 + CO - - - 1.700000E+11 - -0.75 - 2890.000000 - - - H:1 HCNO:1 - CO:1 NH2:1 - - - - - HOCN + H [=] H + HNCO - - - 2.000000E+04 - 2 - 2000.000000 - - - HOCN:1 H:1 - HNCO:1 H:1 - - - - - HCCO + NO [=] HCNO + CO - - - 9.000000E+09 - 0 - 0.000000 - - - HCCO:1 NO:1 - CO:1 HCNO:1 - - - - - CH3 + N [=] H2CN + H - - - 6.100000E+11 - -0.31 - 290.000000 - - - CH3:1 N:1 - H:1 H2CN:1 - - - - - CH3 + N [=] HCN + H2 - - - 3.700000E+09 - 0.14999999999999999 - -90.000000 - - - CH3:1 N:1 - H2:1 HCN:1 - - - - - NH3 + H [=] NH2 + H2 - - - 5.400000E+02 - 2.3999999999999999 - 9915.000000 - - - H:1 NH3:1 - H2:1 NH2:1 - - - - - NH3 + OH [=] NH2 + H2O - - - 5.000000E+04 - 1.6000000000000001 - 955.000000 - - - NH3:1 OH:1 - H2O:1 NH2:1 - - - - - NH3 + O [=] NH2 + OH - - - 9.400000E+03 - 1.9399999999999999 - 6460.000000 - - - O:1 NH3:1 - OH:1 NH2:1 - - - - - NH + CO2 [=] HNO + CO - - - 1.000000E+10 - 0 - 14350.000000 - - - NH:1 CO2:1 - CO:1 HNO:1 - - - - - CN + NO2 [=] NCO + NO - - - 6.160000E+12 - -0.752 - 345.000000 - - - CN:1 NO2:1 - NO:1 NCO:1 - - - - - NCO + NO2 [=] N2O + CO2 - - - 3.250000E+09 - 0 - -705.000000 - - - NO2:1 NCO:1 - CO2:1 N2O:1 - - - - - N + CO2 [=] NO + CO - - - 3.000000E+09 - 0 - 11300.000000 - - - CO2:1 N:1 - CO:1 NO:1 - - - - - O + CH3 =] H + H2 + CO - - - 3.370000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - H2:1 H:1 CO:1 - - - - - O + C2H4 [=] H + CH2CHO - - - 6.700000E+03 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - H:1 CH2CHO:1 - - - - - O + C2H5 [=] H + CH3CHO - - - 1.096000E+11 - 0 - 0.000000 - - - C2H5:1 O:1 - H:1 CH3CHO:1 - - - - - OH + HO2 [=] O2 + H2O - - - 5.000000E+12 - 0 - 17330.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + CH3 =] H2 + CH2O - - - 8.000000E+06 - 0.5 - -1755.000000 - - - CH3:1 OH:1 - H2:1 CH2O:1 - - - - - CH + H2 (+ M) [=] CH3 (+ M) - - - 1.970000E+09 - 0.42999999999999999 - -370.000000 - - - 4.820000E+19 - -2.7999999999999998 - 590.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.578 122 2535 9365 - - H2:1 CH:1 - CH3:1 - - - - - CH2 + O2 =] 2 H + CO2 - - - 5.800000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:2 CO2:1 - - - - - CH2 + O2 [=] O + CH2O - - - 2.400000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - CH2O:1 O:1 - - - - - CH2 + CH2 =] 2 H + C2H2 - - - 2.000000E+11 - 0 - 10989.000000 - - - CH2:2 - H:2 C2H2:1 - - - - - CH2(S) + H2O =] H2 + CH2O - - - 6.820000E+07 - 0.25 - -935.000000 - - - CH2(S):1 H2O:1 - H2:1 CH2O:1 - - - - - C2H3 + O2 [=] O + CH2CHO - - - 3.030000E+08 - 0.28999999999999998 - 11.000000 - - - C2H3:1 O2:1 - CH2CHO:1 O:1 - - - - - C2H3 + O2 [=] HO2 + C2H2 - - - 1.337000E+03 - 1.6100000000000001 - -384.000000 - - - C2H3:1 O2:1 - HO2:1 C2H2:1 - - - - - O + CH3CHO [=] OH + CH2CHO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH2CHO:1 OH:1 - - - - - O + CH3CHO =] OH + CH3 + CO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH3:1 CO:1 OH:1 - - - - - O2 + CH3CHO =] HO2 + CH3 + CO - - - 3.010000E+10 - 0 - 39150.000000 - - - CH3CHO:1 O2:1 - CO:1 CH3:1 HO2:1 - - - - - H + CH3CHO [=] CH2CHO + H2 - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH2CHO:1 - - - - - H + CH3CHO =] CH3 + H2 + CO - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH3:1 CO:1 - - - - - OH + CH3CHO =] CH3 + H2O + CO - - - 2.343000E+07 - 0.72999999999999998 - -1113.000000 - - - CH3CHO:1 OH:1 - H2O:1 CH3:1 CO:1 - - - - - HO2 + CH3CHO =] CH3 + H2O2 + CO - - - 3.010000E+09 - 0 - 11923.000000 - - - CH3CHO:1 HO2:1 - CH3:1 CO:1 H2O2:1 - - - - - CH3 + CH3CHO =] CH3 + CH4 + CO - - - 2.720000E+03 - 1.77 - 5920.000000 - - - CH3CHO:1 CH3:1 - CO:1 CH3:1 CH4:1 - - - - - H + CH2CO (+ M) [=] CH2CHO (+ M) - - - 4.865000E+08 - 0.42199999999999999 - -1755.000000 - - - 1.012000E+36 - -7.6299999999999999 - 3854.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.465 201 1773 5333 - - H:1 CH2CO:1 - CH2CHO:1 - - - - - O + CH2CHO =] H + CH2 + CO2 - - - 1.500000E+11 - 0 - 0.000000 - - - CH2CHO:1 O:1 - H:1 CH2:1 CO2:1 - - - - - O2 + CH2CHO =] OH + CO + CH2O - - - 1.810000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - CH2O:1 CO:1 OH:1 - - - - - O2 + CH2CHO =] OH + 2 HCO - - - 2.350000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - HCO:2 OH:1 - - - - - H + CH2CHO [=] CH3 + HCO - - - 2.200000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - CH3:1 HCO:1 - - - - - H + CH2CHO [=] CH2CO + H2 - - - 1.100000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - H2:1 CH2CO:1 - - - - - OH + CH2CHO [=] H2O + CH2CO - - - 1.200000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - H2O:1 CH2CO:1 - - - - - OH + CH2CHO [=] HCO + CH2OH - - - 3.010000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - CH2OH:1 HCO:1 - - - - - CH3 + C2H5 (+ M) [=] C3H8 (+ M) - - - 9.430000E+09 - 0 - 0.000000 - - - 2.710000E+68 - -16.82 - 13065.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1527 291 2742 7748 - - C2H5:1 CH3:1 - C3H8:1 - - - - - O + C3H8 [=] OH + C3H7 - - - 1.930000E+02 - 2.6800000000000002 - 3716.000000 - - - C3H8:1 O:1 - C3H7:1 OH:1 - - - - - H + C3H8 [=] C3H7 + H2 - - - 1.320000E+03 - 2.54 - 6756.000000 - - - H:1 C3H8:1 - H2:1 C3H7:1 - - - - - OH + C3H8 [=] C3H7 + H2O - - - 3.160000E+04 - 1.8 - 934.000000 - - - C3H8:1 OH:1 - C3H7:1 H2O:1 - - - - - C3H7 + H2O2 [=] HO2 + C3H8 - - - 3.780000E-01 - 2.7200000000000002 - 1500.000000 - - - C3H7:1 H2O2:1 - HO2:1 C3H8:1 - - - - - CH3 + C3H8 [=] C3H7 + CH4 - - - 9.030000E-04 - 3.6499999999999999 - 7154.000000 - - - CH3:1 C3H8:1 - C3H7:1 CH4:1 - - - - - CH3 + C2H4 (+ M) [=] C3H7 (+ M) - - - 2.550000E+03 - 1.6000000000000001 - 5700.000000 - - - 3.000000E+57 - -14.6 - 18170.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1894 277 8748 7891 - - CH3:1 C2H4:1 - C3H7:1 - - - - - O + C3H7 [=] C2H5 + CH2O - - - 9.640000E+10 - 0 - 0.000000 - - - C3H7:1 O:1 - CH2O:1 C2H5:1 - - - - - H + C3H7 (+ M) [=] C3H8 (+ M) - - - 3.613000E+10 - 0 - 0.000000 - - - 4.420000E+55 - -13.545 - 11357.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.315 369 3285 6667 - - H:1 C3H7:1 - C3H8:1 - - - - - H + C3H7 [=] CH3 + C2H5 - - - 4.060000E+03 - 2.1899999999999999 - 890.000000 - - - H:1 C3H7:1 - C2H5:1 CH3:1 - - - - - OH + C3H7 [=] C2H5 + CH2OH - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 OH:1 - CH2OH:1 C2H5:1 - - - - - HO2 + C3H7 [=] O2 + C3H8 - - - 2.550000E+07 - 0.255 - -943.000000 - - - C3H7:1 HO2:1 - O2:1 C3H8:1 - - - - - HO2 + C3H7 =] OH + C2H5 + CH2O - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 HO2:1 - CH2O:1 C2H5:1 OH:1 - - - - - CH3 + C3H7 [=] 2 C2H5 - - - 1.927000E+10 - -0.32000000000000001 - 0.000000 - - - C3H7:1 CH3:1 - C2H5:2 - - - diff --git a/test_problems/multiGasTransport/gri30.xml b/test_problems/multiGasTransport/gri30.xml deleted file mode 100644 index 6acba138c..000000000 --- a/test_problems/multiGasTransport/gri30.xml +++ /dev/null @@ -1,6173 +0,0 @@ - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - - - - H:2 - TPIS78 - - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 - - - - - - H:1 - L 7/88 - - - - 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 - - - - 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 - - - - atom - 145.000 - 2.050 - 0.000 - 0.000 - 0.000 - - - - - - O:1 - L 1/90 - - - - 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 - - - - 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, - 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 - - - - atom - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - O:2 - TPIS89 - - - - 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 - - - - 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 - - - - linear - 107.400 - 3.460 - 0.000 - 1.600 - 3.800 - - - - - - H:1 O:1 - RUS 78 - - - - 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 - - - - 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, - 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 O:1 - L 8/89 - - - - 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 - - - - 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 - - - - nonlinear - 572.400 - 2.600 - 1.840 - 0.000 - 4.000 - - - - - - H:1 O:2 - L 5/89 - - - - 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 - - - - 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, - -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 1.000 - - - - - - H:2 O:2 - L 7/88 - - - - 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, - 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 - - - - 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, - -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 3.800 - - - - - - C:1 - L11/88 - - - - 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, - 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 - - - - 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, - -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 C:1 - TPIS79 - - - - 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, - -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 - - - - 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, - 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, - 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 - - - - 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, - -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, - 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 - - - - 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, - -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:3 C:1 - L11/89 - - - - 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, - 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 - - - - 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, - -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:4 C:1 - L 8/88 - - - - 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, - 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 - - - - 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, - -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 - - - - nonlinear - 141.400 - 3.750 - 0.000 - 2.600 - 13.000 - - - - - - C:1 O:1 - TPIS79 - - - - 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, - -9.044244990E-13, -1.434408600E+04, 3.508409280E+00 - - - - 2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10, - -2.036477160E-14, -1.415187240E+04, 7.818687720E+00 - - - - linear - 98.100 - 3.650 - 0.000 - 1.950 - 1.800 - - - - - - C:1 O:2 - L 7/88 - - - - 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, - -1.436995480E-13, -4.837196970E+04, 9.901052220E+00 - - - - 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, - -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 - - - - linear - 244.000 - 3.760 - 0.000 - 2.650 - 2.100 - - - - - - H:1 C:1 O:1 - L12/89 - - - - 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, - 4.337688650E-12, 3.839564960E+03, 3.394372430E+00 - - - - 2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10, - -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 O:1 - L 8/88 - - - - 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, - 1.317726520E-11, -1.430895670E+04, 6.028129000E-01 - - - - 1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09, - -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - GUNL93 - - - - 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, - 4.369672780E-12, -3.193913670E+03, 5.473022430E+00 - - - - 3.692665690E+00, 8.645767970E-03, -3.751011200E-06, 7.872346360E-10, - -6.485542010E-14, -3.242506270E+03, 5.810432150E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - 121686 - - - - 2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09, - 2.075610000E-12, 9.786011000E+02, 1.315217700E+01 - - - - 3.770799000E+00, 7.871497000E-03, -2.656384000E-06, 3.944431000E-10, - -2.112616000E-14, 1.278325200E+02, 2.929575000E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:4 C:1 O:1 - L 8/88 - - - - 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, - 2.613526980E-11, -2.564276560E+04, -1.504098230E+00 - - - - 1.789707910E+00, 1.409382920E-02, -6.365008350E-06, 1.381710850E-09, - -1.170602200E-13, -2.537487470E+04, 1.450236230E+01 - - - - nonlinear - 481.800 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:2 - L 1/91 - - - - 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, - -1.093315110E-11, 6.683939320E+04, 6.222964380E+00 - - - - 3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10, - -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:2 C:2 - L 1/91 - - - - 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, - -8.500729740E-12, 2.642898070E+04, 1.393970510E+01 - - - - 4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10, - -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:3 C:2 - L 2/92 - - - - 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, - 1.471508730E-11, 3.485984680E+04, 8.510540250E+00 - - - - 3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09, - -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 - - - - nonlinear - 209.000 - 4.100 - 0.000 - 0.000 - 1.000 - - - - - - H:4 C:2 - L 1/91 - - - - 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, - 2.698843730E-11, 5.089775930E+03, 4.097330960E+00 - - - - 2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09, - -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 - - - - nonlinear - 280.800 - 3.970 - 0.000 - 0.000 - 1.500 - - - - - - H:5 C:2 - L12/92 - - - - 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, - 2.305090040E-11, 1.284162650E+04, 4.707209240E+00 - - - - 1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09, - -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:6 C:2 - L 8/88 - - - - 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, - 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 - - - - 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, - -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:1 C:2 O:1 - SRIC91 - - - - 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, - -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 - - - - 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, - -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:2 O:1 - L 5/90 - - - - 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, - -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 - - - - 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, - -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:2 C:2 O:1 - SRI91 - - - - 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, - -1.401459400E-11, 8.031614300E+03, 1.387431900E+01 - - - - 5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10, - -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - N:1 - L 6/88 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, 5.610463700E+04, 4.193908700E+00 - - - - 2.415942900E+00, 1.748906500E-04, -1.190236900E-07, 3.022624500E-11, - -2.036098200E-15, 5.613377300E+04, 4.649609600E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 N:1 - And94 - - - - 3.492908500E+00, 3.117919800E-04, -1.489048400E-06, 2.481644200E-09, - -1.035696700E-12, 4.188062900E+04, 1.848327800E+00 - - - - 2.783692800E+00, 1.329843000E-03, -4.247804700E-07, 7.834850100E-11, - -5.504447000E-15, 4.212084800E+04, 5.740779900E+00 - - - - linear - 80.000 - 2.650 - 0.000 - 0.000 - 4.000 - - - - - - H:2 N:1 - And89 - - - - 4.204002900E+00, -2.106138500E-03, 7.106834800E-06, -5.611519700E-09, - 1.644071700E-12, 2.188591000E+04, -1.418424800E-01 - - - - 2.834742100E+00, 3.207308200E-03, -9.339080400E-07, 1.370295300E-10, - -7.920614400E-15, 2.217195700E+04, 6.520416300E+00 - - - - nonlinear - 80.000 - 2.650 - 0.000 - 2.260 - 4.000 - - - - - - H:3 N:1 - J 6/77 - - - - 4.286027400E+00, -4.660523000E-03, 2.171851300E-05, -2.280888700E-08, - 8.263804600E-12, -6.741728500E+03, -6.253727700E-01 - - - - 2.634452100E+00, 5.666256000E-03, -1.727867600E-06, 2.386716100E-10, - -1.257878600E-14, -6.544695800E+03, 6.566292800E+00 - - - - nonlinear - 481.000 - 2.920 - 1.470 - 0.000 - 10.000 - - - - - - H:1 N:2 - T07/93 - - - - 4.344692700E+00, -4.849707200E-03, 2.005945900E-05, -2.172646400E-08, - 7.946953900E-12, 2.879197300E+04, 2.977941000E+00 - - - - 3.766754400E+00, 2.891508200E-03, -1.041662000E-06, 1.684259400E-10, - -1.009189600E-14, 2.865069700E+04, 4.470506700E+00 - - - - nonlinear - 71.400 - 3.800 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:1 - RUS 78 - - - - 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, - 2.803577000E-12, 9.844623000E+03, 2.280846400E+00 - - - - 3.260605600E+00, 1.191104300E-03, -4.291704800E-07, 6.945766900E-11, - -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - O:2 N:1 - L 7/88 - - - - 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, - 7.835056400E-12, 2.896617900E+03, 6.311991700E+00 - - - - 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, - -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 - - - - nonlinear - 200.000 - 3.500 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:2 - L 7/88 - - - - 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, - -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 - - - - 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, - -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 O:1 N:1 - And93 - - - - 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, - 5.545457300E-12, 1.154829700E+04, 1.749841700E+00 - - - - 2.979250900E+00, 3.494405900E-03, -7.854977800E-07, 5.747959400E-11, - -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 - - - - nonlinear - 116.700 - 3.490 - 0.000 - 0.000 - 1.000 - - - - - - C:1 N:1 - HBH92 - - - - 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, - -4.643035600E-13, 5.170834000E+04, 3.980499500E+00 - - - - 3.745980500E+00, 4.345077500E-05, 2.970598400E-07, -6.865180600E-11, - 4.413417300E-15, 5.153618800E+04, 2.786760100E+00 - - - - linear - 75.000 - 3.860 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:1 - GRI/98 - - - - 2.258988600E+00, 1.005117000E-02, -1.335176300E-05, 1.009234900E-08, - -3.008902800E-12, 1.471263300E+04, 8.916441900E+00 - - - - 3.802239200E+00, 3.146422800E-03, -1.063218500E-06, 1.661975700E-10, - -9.799757000E-15, 1.440729200E+04, 1.575460100E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:1 N:1 - 41687 - - - - 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, - -2.351108100E-13, 2.863782000E+04, 8.992751100E+00 - - - - 5.209703000E+00, 2.969291100E-03, -2.855589100E-07, -1.635550000E-10, - 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:2 - SRI/94 - - - - 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, - -3.235737800E-12, 5.426198400E+04, 1.167587000E+01 - - - - 5.894636200E+00, 3.989595900E-03, -1.598238000E-06, 2.924939500E-10, - -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, - -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 - - - - 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, - -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, - 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 - - - - 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, - -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, - 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 - - - - 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, - -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - C:1 O:1 N:1 - EA 93 - - - - 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, - -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 - - - - 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, - -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - N:2 - 121286 - - - - 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 - - - - 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, - -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - Ar:1 - 120186 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - atom - 136.500 - 3.330 - 0.000 - 0.000 - 0.000 - - - - - - H:7 C:3 - L 9/84 - - - - 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, - 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 - - - - 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, - -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:8 C:3 - L 4/85 - - - - 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, - 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 - - - - 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, - -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:3 C:2 O:1 - SAND86 - - - - 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, - 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 - - - - 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, - -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:4 C:2 O:1 - L 8/88 - - - - 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, - 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 - - - - 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, - -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - - - 2 O + M [=] O2 + M - - - 1.200000E+11 - -1 - 0.000000 - - AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 - - O:2 - O2:1 - - - - - O + H + M [=] OH + M - - - 5.000000E+11 - -1 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 O:1 - OH:1 - - - - - O + H2 [=] H + OH - - - 3.870000E+01 - 2.7000000000000002 - 6260.000000 - - - H2:1 O:1 - H:1 OH:1 - - - - - O + HO2 [=] OH + O2 - - - 2.000000E+10 - 0 - 0.000000 - - - HO2:1 O:1 - O2:1 OH:1 - - - - - O + H2O2 [=] OH + HO2 - - - 9.630000E+03 - 2 - 4000.000000 - - - H2O2:1 O:1 - HO2:1 OH:1 - - - - - O + CH [=] H + CO - - - 5.700000E+10 - 0 - 0.000000 - - - CH:1 O:1 - H:1 CO:1 - - - - - O + CH2 [=] H + HCO - - - 8.000000E+10 - 0 - 0.000000 - - - CH2:1 O:1 - H:1 HCO:1 - - - - - O + CH2(S) [=] H2 + CO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H2:1 CO:1 - - - - - O + CH2(S) [=] H + HCO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H:1 HCO:1 - - - - - O + CH3 [=] H + CH2O - - - 5.060000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - CH2O:1 H:1 - - - - - O + CH4 [=] OH + CH3 - - - 1.020000E+06 - 1.5 - 8600.000000 - - - CH4:1 O:1 - CH3:1 OH:1 - - - - - O + CO (+ M) [=] CO2 (+ M) - - - 1.800000E+07 - 0 - 2385.000000 - - - 6.020000E+08 - 0 - 3000.000000 - - AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 - - - CO:1 O:1 - CO2:1 - - - - - O + HCO [=] OH + CO - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - CO:1 OH:1 - - - - - O + HCO [=] H + CO2 - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - H:1 CO2:1 - - - - - O + CH2O [=] OH + HCO - - - 3.900000E+10 - 0 - 3540.000000 - - - CH2O:1 O:1 - HCO:1 OH:1 - - - - - O + CH2OH [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH2OH:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3O [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH3O:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3OH [=] OH + CH2OH - - - 3.880000E+02 - 2.5 - 3100.000000 - - - CH3OH:1 O:1 - CH2OH:1 OH:1 - - - - - O + CH3OH [=] OH + CH3O - - - 1.300000E+02 - 2.5 - 5000.000000 - - - CH3OH:1 O:1 - CH3O:1 OH:1 - - - - - O + C2H [=] CH + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C2H:1 O:1 - CH:1 CO:1 - - - - - O + C2H2 [=] H + HCCO - - - 1.350000E+04 - 2 - 1900.000000 - - - C2H2:1 O:1 - H:1 HCCO:1 - - - - - O + C2H2 [=] OH + C2H - - - 4.600000E+16 - -1.4099999999999999 - 28950.000000 - - - C2H2:1 O:1 - C2H:1 OH:1 - - - - - O + C2H2 [=] CO + CH2 - - - 6.940000E+03 - 2 - 1900.000000 - - - C2H2:1 O:1 - CH2:1 CO:1 - - - - - O + C2H3 [=] H + CH2CO - - - 3.000000E+10 - 0 - 0.000000 - - - C2H3:1 O:1 - H:1 CH2CO:1 - - - - - O + C2H4 [=] CH3 + HCO - - - 1.250000E+04 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - CH3:1 HCO:1 - - - - - O + C2H5 [=] CH3 + CH2O - - - 2.240000E+10 - 0 - 0.000000 - - - C2H5:1 O:1 - CH2O:1 CH3:1 - - - - - O + C2H6 [=] OH + C2H5 - - - 8.980000E+04 - 1.9199999999999999 - 5690.000000 - - - C2H6:1 O:1 - C2H5:1 OH:1 - - - - - O + HCCO [=] H + 2 CO - - - 1.000000E+11 - 0 - 0.000000 - - - HCCO:1 O:1 - H:1 CO:2 - - - - - O + CH2CO [=] OH + HCCO - - - 1.000000E+10 - 0 - 8000.000000 - - - CH2CO:1 O:1 - HCCO:1 OH:1 - - - - - O + CH2CO [=] CH2 + CO2 - - - 1.750000E+09 - 0 - 1350.000000 - - - CH2CO:1 O:1 - CH2:1 CO2:1 - - - - - O2 + CO [=] O + CO2 - - - 2.500000E+09 - 0 - 47800.000000 - - - CO:1 O2:1 - CO2:1 O:1 - - - - - O2 + CH2O [=] HO2 + HCO - - - 1.000000E+11 - 0 - 40000.000000 - - - CH2O:1 O2:1 - HO2:1 HCO:1 - - - - - H + O2 + M [=] HO2 + M - - - 2.800000E+12 - -0.85999999999999999 - 0.000000 - - AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 - - H:1 O2:1 - HO2:1 - - - - - H + 2 O2 [=] HO2 + O2 - - - 2.080000E+13 - -1.24 - 0.000000 - - - H:1 O2:2 - HO2:1 O2:1 - - - - - H + O2 + H2O [=] HO2 + H2O - - - 1.126000E+13 - -0.76000000000000001 - 0.000000 - - - H:1 H2O:1 O2:1 - H2O:1 HO2:1 - - - - - H + O2 + N2 [=] HO2 + N2 - - - 2.600000E+13 - -1.24 - 0.000000 - - - H:1 N2:1 O2:1 - N2:1 HO2:1 - - - - - H + O2 + AR [=] HO2 + AR - - - 7.000000E+11 - -0.80000000000000004 - 0.000000 - - - H:1 AR:1 O2:1 - AR:1 HO2:1 - - - - - H + O2 [=] O + OH - - - 2.650000E+13 - -0.67069999999999996 - 17041.000000 - - - H:1 O2:1 - O:1 OH:1 - - - - - 2 H + M [=] H2 + M - - - 1.000000E+12 - -1 - 0.000000 - - AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 - - H:2 - H2:1 - - - - - 2 H + H2 [=] 2 H2 - - - 9.000000E+10 - -0.59999999999999998 - 0.000000 - - - H2:1 H:2 - H2:2 - - - - - 2 H + H2O [=] H2 + H2O - - - 6.000000E+13 - -1.25 - 0.000000 - - - H:2 H2O:1 - H2:1 H2O:1 - - - - - 2 H + CO2 [=] H2 + CO2 - - - 5.500000E+14 - -2 - 0.000000 - - - H:2 CO2:1 - H2:1 CO2:1 - - - - - H + OH + M [=] H2O + M - - - 2.200000E+16 - -2 - 0.000000 - - AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 - - H:1 OH:1 - H2O:1 - - - - - H + HO2 [=] O + H2O - - - 3.970000E+09 - 0 - 671.000000 - - - H:1 HO2:1 - H2O:1 O:1 - - - - - H + HO2 [=] O2 + H2 - - - 4.480000E+10 - 0 - 1068.000000 - - - H:1 HO2:1 - H2:1 O2:1 - - - - - H + HO2 [=] 2 OH - - - 8.400000E+10 - 0 - 635.000000 - - - H:1 HO2:1 - OH:2 - - - - - H + H2O2 [=] HO2 + H2 - - - 1.210000E+04 - 2 - 5200.000000 - - - H:1 H2O2:1 - H2:1 HO2:1 - - - - - H + H2O2 [=] OH + H2O - - - 1.000000E+10 - 0 - 3600.000000 - - - H:1 H2O2:1 - H2O:1 OH:1 - - - - - H + CH [=] C + H2 - - - 1.650000E+11 - 0 - 0.000000 - - - H:1 CH:1 - H2:1 C:1 - - - - - H + CH2 (+ M) [=] CH3 (+ M) - - - 6.000000E+11 - 0 - 0.000000 - - - 1.040000E+20 - -2.7599999999999998 - 1600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.562 91 5836 8552 - - H:1 CH2:1 - CH3:1 - - - - - H + CH2(S) [=] CH + H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 CH2(S):1 - H2:1 CH:1 - - - - - H + CH3 (+ M) [=] CH4 (+ M) - - - 1.390000E+13 - -0.53400000000000003 - 536.000000 - - - 2.620000E+27 - -4.7599999999999998 - 2440.000000 - - AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 - 0.783 74 2941 6964 - - H:1 CH3:1 - CH4:1 - - - - - H + CH4 [=] CH3 + H2 - - - 6.600000E+05 - 1.6200000000000001 - 10840.000000 - - - H:1 CH4:1 - H2:1 CH3:1 - - - - - H + HCO (+ M) [=] CH2O (+ M) - - - 1.090000E+09 - 0.47999999999999998 - -260.000000 - - - 2.470000E+18 - -2.5699999999999998 - 425.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7824 271 2755 6570 - - H:1 HCO:1 - CH2O:1 - - - - - H + HCO [=] H2 + CO - - - 7.340000E+10 - 0 - 0.000000 - - - H:1 HCO:1 - H2:1 CO:1 - - - - - H + CH2O (+ M) [=] CH2OH (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 3600.000000 - - - 1.270000E+26 - -4.8200000000000003 - 6530.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7187 103 1291 4160 - - CH2O:1 H:1 - CH2OH:1 - - - - - H + CH2O (+ M) [=] CH3O (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 2600.000000 - - - 2.200000E+24 - -4.7999999999999998 - 5560.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.758 94 1555 4200 - - CH2O:1 H:1 - CH3O:1 - - - - - H + CH2O [=] HCO + H2 - - - 5.740000E+04 - 1.8999999999999999 - 2742.000000 - - - CH2O:1 H:1 - H2:1 HCO:1 - - - - - H + CH2OH (+ M) [=] CH3OH (+ M) - - - 1.055000E+09 - 0.5 - 86.000000 - - - 4.360000E+25 - -4.6500000000000004 - 5080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6 100 90000 10000 - - H:1 CH2OH:1 - CH3OH:1 - - - - - H + CH2OH [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH2OH:1 - H2:1 CH2O:1 - - - - - H + CH2OH [=] OH + CH3 - - - 1.650000E+08 - 0.65000000000000002 - -284.000000 - - - H:1 CH2OH:1 - CH3:1 OH:1 - - - - - H + CH2OH [=] CH2(S) + H2O - - - 3.280000E+10 - -0.089999999999999997 - 610.000000 - - - H:1 CH2OH:1 - CH2(S):1 H2O:1 - - - - - H + CH3O (+ M) [=] CH3OH (+ M) - - - 2.430000E+09 - 0.51500000000000001 - 50.000000 - - - 4.660000E+35 - -7.4400000000000004 - 14080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7 100 90000 10000 - - H:1 CH3O:1 - CH3OH:1 - - - - - H + CH3O [=] H + CH2OH - - - 4.150000E+04 - 1.6299999999999999 - 1924.000000 - - - H:1 CH3O:1 - H:1 CH2OH:1 - - - - - H + CH3O [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH3O:1 - H2:1 CH2O:1 - - - - - H + CH3O [=] OH + CH3 - - - 1.500000E+09 - 0.5 - -110.000000 - - - H:1 CH3O:1 - CH3:1 OH:1 - - - - - H + CH3O [=] CH2(S) + H2O - - - 2.620000E+11 - -0.23000000000000001 - 1070.000000 - - - H:1 CH3O:1 - CH2(S):1 H2O:1 - - - - - H + CH3OH [=] CH2OH + H2 - - - 1.700000E+04 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH2OH:1 - - - - - H + CH3OH [=] CH3O + H2 - - - 4.200000E+03 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH3O:1 - - - - - H + C2H (+ M) [=] C2H2 (+ M) - - - 1.000000E+14 - -1 - 0.000000 - - - 3.750000E+27 - -4.7999999999999998 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6464 132 1315 5566 - - H:1 C2H:1 - C2H2:1 - - - - - H + C2H2 (+ M) [=] C2H3 (+ M) - - - 5.600000E+09 - 0 - 2400.000000 - - - 3.800000E+34 - -7.2699999999999996 - 7220.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7507 98.5 1302 4167 - - H:1 C2H2:1 - C2H3:1 - - - - - H + C2H3 (+ M) [=] C2H4 (+ M) - - - 6.080000E+09 - 0.27000000000000002 - 280.000000 - - - 1.400000E+24 - -3.8599999999999999 - 3320.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.782 207.5 2663 6095 - - H:1 C2H3:1 - C2H4:1 - - - - - H + C2H3 [=] H2 + C2H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 C2H3:1 - H2:1 C2H2:1 - - - - - H + C2H4 (+ M) [=] C2H5 (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 1820.000000 - - - 6.000000E+35 - -7.6200000000000001 - 6970.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.9753 210 984 4374 - - H:1 C2H4:1 - C2H5:1 - - - - - H + C2H4 [=] C2H3 + H2 - - - 1.325000E+03 - 2.5299999999999998 - 12240.000000 - - - H:1 C2H4:1 - H2:1 C2H3:1 - - - - - H + C2H5 (+ M) [=] C2H6 (+ M) - - - 5.210000E+14 - -0.98999999999999999 - 1580.000000 - - - 1.990000E+35 - -7.0800000000000001 - 6685.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.8422 125 2219 6882 - - H:1 C2H5:1 - C2H6:1 - - - - - H + C2H5 [=] H2 + C2H4 - - - 2.000000E+09 - 0 - 0.000000 - - - H:1 C2H5:1 - H2:1 C2H4:1 - - - - - H + C2H6 [=] C2H5 + H2 - - - 1.150000E+05 - 1.8999999999999999 - 7530.000000 - - - H:1 C2H6:1 - H2:1 C2H5:1 - - - - - H + HCCO [=] CH2(S) + CO - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCCO:1 - CH2(S):1 CO:1 - - - - - H + CH2CO [=] HCCO + H2 - - - 5.000000E+10 - 0 - 8000.000000 - - - H:1 CH2CO:1 - H2:1 HCCO:1 - - - - - H + CH2CO [=] CH3 + CO - - - 1.130000E+10 - 0 - 3428.000000 - - - H:1 CH2CO:1 - CH3:1 CO:1 - - - - - H + HCCOH [=] H + CH2CO - - - 1.000000E+10 - 0 - 0.000000 - - - H:1 HCCOH:1 - H:1 CH2CO:1 - - - - - H2 + CO (+ M) [=] CH2O (+ M) - - - 4.300000E+04 - 1.5 - 79600.000000 - - - 5.070000E+21 - -3.4199999999999999 - 84350.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.932 197 1540 10300 - - H2:1 CO:1 - CH2O:1 - - - - - OH + H2 [=] H + H2O - - - 2.160000E+05 - 1.51 - 3430.000000 - - - H2:1 OH:1 - H:1 H2O:1 - - - - - 2 OH (+ M) [=] H2O2 (+ M) - - - 7.400000E+10 - -0.37 - 0.000000 - - - 2.300000E+12 - -0.90000000000000002 - -1700.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7346 94 1756 5182 - - OH:2 - H2O2:1 - - - - - 2 OH [=] O + H2O - - - 3.570000E+01 - 2.3999999999999999 - -2110.000000 - - - OH:2 - H2O:1 O:1 - - - - - OH + HO2 [=] O2 + H2O - - - 1.450000E+10 - 0 - -500.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 2.000000E+09 - 0 - 427.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 1.700000E+15 - 0 - 29410.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + C [=] H + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 OH:1 - H:1 CO:1 - - - - - OH + CH [=] H + HCO - - - 3.000000E+10 - 0 - 0.000000 - - - CH:1 OH:1 - H:1 HCO:1 - - - - - OH + CH2 [=] H + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 OH:1 - CH2O:1 H:1 - - - - - OH + CH2 [=] CH + H2O - - - 1.130000E+04 - 2 - 3000.000000 - - - CH2:1 OH:1 - H2O:1 CH:1 - - - - - OH + CH2(S) [=] H + CH2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 OH:1 - CH2O:1 H:1 - - - - - OH + CH3 (+ M) [=] CH3OH (+ M) - - - 2.790000E+15 - -1.4299999999999999 - 1330.000000 - - - 4.000000E+30 - -5.9199999999999999 - 3140.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.412 195 5900 6394 - - CH3:1 OH:1 - CH3OH:1 - - - - - OH + CH3 [=] CH2 + H2O - - - 5.600000E+04 - 1.6000000000000001 - 5420.000000 - - - CH3:1 OH:1 - CH2:1 H2O:1 - - - - - OH + CH3 [=] CH2(S) + H2O - - - 6.440000E+14 - -1.3400000000000001 - 1417.000000 - - - CH3:1 OH:1 - CH2(S):1 H2O:1 - - - - - OH + CH4 [=] CH3 + H2O - - - 1.000000E+05 - 1.6000000000000001 - 3120.000000 - - - CH4:1 OH:1 - H2O:1 CH3:1 - - - - - OH + CO [=] H + CO2 - - - 4.760000E+04 - 1.228 - 70.000000 - - - CO:1 OH:1 - H:1 CO2:1 - - - - - OH + HCO [=] H2O + CO - - - 5.000000E+10 - 0 - 0.000000 - - - HCO:1 OH:1 - H2O:1 CO:1 - - - - - OH + CH2O [=] HCO + H2O - - - 3.430000E+06 - 1.1799999999999999 - -447.000000 - - - CH2O:1 OH:1 - H2O:1 HCO:1 - - - - - OH + CH2OH [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH2OH:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3O [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH3O:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3OH [=] CH2OH + H2O - - - 1.440000E+03 - 2 - -840.000000 - - - CH3OH:1 OH:1 - CH2OH:1 H2O:1 - - - - - OH + CH3OH [=] CH3O + H2O - - - 6.300000E+03 - 2 - 1500.000000 - - - CH3OH:1 OH:1 - H2O:1 CH3O:1 - - - - - OH + C2H [=] H + HCCO - - - 2.000000E+10 - 0 - 0.000000 - - - C2H:1 OH:1 - H:1 HCCO:1 - - - - - OH + C2H2 [=] H + CH2CO - - - 2.180000E-07 - 4.5 - -1000.000000 - - - C2H2:1 OH:1 - H:1 CH2CO:1 - - - - - OH + C2H2 [=] H + HCCOH - - - 5.040000E+02 - 2.2999999999999998 - 13500.000000 - - - C2H2:1 OH:1 - H:1 HCCOH:1 - - - - - OH + C2H2 [=] C2H + H2O - - - 3.370000E+04 - 2 - 14000.000000 - - - C2H2:1 OH:1 - C2H:1 H2O:1 - - - - - OH + C2H2 [=] CH3 + CO - - - 4.830000E-07 - 4 - -2000.000000 - - - C2H2:1 OH:1 - CH3:1 CO:1 - - - - - OH + C2H3 [=] H2O + C2H2 - - - 5.000000E+09 - 0 - 0.000000 - - - C2H3:1 OH:1 - H2O:1 C2H2:1 - - - - - OH + C2H4 [=] C2H3 + H2O - - - 3.600000E+03 - 2 - 2500.000000 - - - C2H4:1 OH:1 - H2O:1 C2H3:1 - - - - - OH + C2H6 [=] C2H5 + H2O - - - 3.540000E+03 - 2.1200000000000001 - 870.000000 - - - C2H6:1 OH:1 - C2H5:1 H2O:1 - - - - - OH + CH2CO [=] HCCO + H2O - - - 7.500000E+09 - 0 - 2000.000000 - - - CH2CO:1 OH:1 - H2O:1 HCCO:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 1.300000E+08 - 0 - -1630.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 4.200000E+11 - 0 - 12000.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - HO2 + CH2 [=] OH + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 HO2:1 - CH2O:1 OH:1 - - - - - HO2 + CH3 [=] O2 + CH4 - - - 1.000000E+09 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH4:1 O2:1 - - - - - HO2 + CH3 [=] OH + CH3O - - - 3.780000E+10 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH3O:1 OH:1 - - - - - HO2 + CO [=] OH + CO2 - - - 1.500000E+11 - 0 - 23600.000000 - - - CO:1 HO2:1 - CO2:1 OH:1 - - - - - HO2 + CH2O [=] HCO + H2O2 - - - 5.600000E+03 - 2 - 12000.000000 - - - CH2O:1 HO2:1 - HCO:1 H2O2:1 - - - - - C + O2 [=] O + CO - - - 5.800000E+10 - 0 - 576.000000 - - - C:1 O2:1 - CO:1 O:1 - - - - - C + CH2 [=] H + C2H - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH2:1 - H:1 C2H:1 - - - - - C + CH3 [=] H + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH3:1 - H:1 C2H2:1 - - - - - CH + O2 [=] O + HCO - - - 6.710000E+10 - 0 - 0.000000 - - - CH:1 O2:1 - HCO:1 O:1 - - - - - CH + H2 [=] H + CH2 - - - 1.080000E+11 - 0 - 3110.000000 - - - H2:1 CH:1 - H:1 CH2:1 - - - - - CH + H2O [=] H + CH2O - - - 5.710000E+09 - 0 - -755.000000 - - - H2O:1 CH:1 - CH2O:1 H:1 - - - - - CH + CH2 [=] H + C2H2 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH:1 - H:1 C2H2:1 - - - - - CH + CH3 [=] H + C2H3 - - - 3.000000E+10 - 0 - 0.000000 - - - CH3:1 CH:1 - H:1 C2H3:1 - - - - - CH + CH4 [=] H + C2H4 - - - 6.000000E+10 - 0 - 0.000000 - - - CH:1 CH4:1 - H:1 C2H4:1 - - - - - CH + CO (+ M) [=] HCCO (+ M) - - - 5.000000E+10 - 0 - 0.000000 - - - 2.690000E+22 - -3.7400000000000002 - 1936.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5757 237 1652 5069 - - CH:1 CO:1 - HCCO:1 - - - - - CH + CO2 [=] HCO + CO - - - 1.900000E+11 - 0 - 15792.000000 - - - CH:1 CO2:1 - CO:1 HCO:1 - - - - - CH + CH2O [=] H + CH2CO - - - 9.460000E+10 - 0 - -515.000000 - - - CH2O:1 CH:1 - H:1 CH2CO:1 - - - - - CH + HCCO [=] CO + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - CH:1 HCCO:1 - CO:1 C2H2:1 - - - - - CH2 + O2 =] OH + H + CO - - - 5.000000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2 + H2 [=] H + CH3 - - - 5.000000E+02 - 2 - 7230.000000 - - - H2:1 CH2:1 - H:1 CH3:1 - - - - - 2 CH2 [=] H2 + C2H2 - - - 1.600000E+12 - 0 - 11944.000000 - - - CH2:2 - H2:1 C2H2:1 - - - - - CH2 + CH3 [=] H + C2H4 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH3:1 - H:1 C2H4:1 - - - - - CH2 + CH4 [=] 2 CH3 - - - 2.460000E+03 - 2 - 8270.000000 - - - CH2:1 CH4:1 - CH3:2 - - - - - CH2 + CO (+ M) [=] CH2CO (+ M) - - - 8.100000E+08 - 0.5 - 4510.000000 - - - 2.690000E+27 - -5.1100000000000003 - 7095.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5907 275 1226 5185 - - CH2:1 CO:1 - CH2CO:1 - - - - - CH2 + HCCO [=] C2H3 + CO - - - 3.000000E+10 - 0 - 0.000000 - - - CH2:1 HCCO:1 - CO:1 C2H3:1 - - - - - CH2(S) + N2 [=] CH2 + N2 - - - 1.500000E+10 - 0 - 600.000000 - - - CH2(S):1 N2:1 - CH2:1 N2:1 - - - - - CH2(S) + AR [=] CH2 + AR - - - 9.000000E+09 - 0 - 600.000000 - - - CH2(S):1 AR:1 - CH2:1 AR:1 - - - - - CH2(S) + O2 [=] H + OH + CO - - - 2.800000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2(S) + O2 [=] CO + H2O - - - 1.200000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H2O:1 CO:1 - - - - - CH2(S) + H2 [=] CH3 + H - - - 7.000000E+10 - 0 - 0.000000 - - - H2:1 CH2(S):1 - H:1 CH3:1 - - - - - CH2(S) + H2O (+ M) [=] CH3OH (+ M) - - - 4.820000E+14 - -1.1599999999999999 - 1145.000000 - - - 1.880000E+32 - -6.3600000000000003 - 5040.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6027 208 3922 10180 - - CH2(S):1 H2O:1 - CH3OH:1 - - - - - CH2(S) + H2O [=] CH2 + H2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 H2O:1 - CH2:1 H2O:1 - - - - - CH2(S) + CH3 [=] H + C2H4 - - - 1.200000E+10 - 0 - -570.000000 - - - CH2(S):1 CH3:1 - H:1 C2H4:1 - - - - - CH2(S) + CH4 [=] 2 CH3 - - - 1.600000E+10 - 0 - -570.000000 - - - CH2(S):1 CH4:1 - CH3:2 - - - - - CH2(S) + CO [=] CH2 + CO - - - 9.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO:1 - CH2:1 CO:1 - - - - - CH2(S) + CO2 [=] CH2 + CO2 - - - 7.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2:1 CO2:1 - - - - - CH2(S) + CO2 [=] CO + CH2O - - - 1.400000E+10 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2O:1 CO:1 - - - - - CH2(S) + C2H6 [=] CH3 + C2H5 - - - 4.000000E+10 - 0 - -550.000000 - - - CH2(S):1 C2H6:1 - C2H5:1 CH3:1 - - - - - CH3 + O2 [=] O + CH3O - - - 3.560000E+10 - 0 - 30480.000000 - - - CH3:1 O2:1 - CH3O:1 O:1 - - - - - CH3 + O2 [=] OH + CH2O - - - 2.310000E+09 - 0 - 20315.000000 - - - CH3:1 O2:1 - CH2O:1 OH:1 - - - - - CH3 + H2O2 [=] HO2 + CH4 - - - 2.450000E+01 - 2.4700000000000002 - 5180.000000 - - - CH3:1 H2O2:1 - CH4:1 HO2:1 - - - - - 2 CH3 (+ M) [=] C2H6 (+ M) - - - 6.770000E+13 - -1.1799999999999999 - 654.000000 - - - 3.400000E+35 - -7.0300000000000002 - 2762.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.619 73.2 1180 9999 - - CH3:2 - C2H6:1 - - - - - 2 CH3 [=] H + C2H5 - - - 6.840000E+09 - 0.10000000000000001 - 10600.000000 - - - CH3:2 - H:1 C2H5:1 - - - - - CH3 + HCO [=] CH4 + CO - - - 2.648000E+10 - 0 - 0.000000 - - - CH3:1 HCO:1 - CO:1 CH4:1 - - - - - CH3 + CH2O [=] HCO + CH4 - - - 3.320000E+00 - 2.8100000000000001 - 5860.000000 - - - CH2O:1 CH3:1 - CH4:1 HCO:1 - - - - - CH3 + CH3OH [=] CH2OH + CH4 - - - 3.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH2OH:1 CH4:1 - - - - - CH3 + CH3OH [=] CH3O + CH4 - - - 1.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH3O:1 CH4:1 - - - - - CH3 + C2H4 [=] C2H3 + CH4 - - - 2.270000E+02 - 2 - 9200.000000 - - - CH3:1 C2H4:1 - CH4:1 C2H3:1 - - - - - CH3 + C2H6 [=] C2H5 + CH4 - - - 6.140000E+03 - 1.74 - 10450.000000 - - - C2H6:1 CH3:1 - C2H5:1 CH4:1 - - - - - HCO + H2O [=] H + CO + H2O - - - 1.500000E+15 - -1 - 17000.000000 - - - H2O:1 HCO:1 - H:1 H2O:1 CO:1 - - - - - HCO + M [=] H + CO + M - - - 1.870000E+14 - -1 - 17000.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 - - HCO:1 - H:1 CO:1 - - - - - HCO + O2 [=] HO2 + CO - - - 1.345000E+10 - 0 - 400.000000 - - - HCO:1 O2:1 - CO:1 HO2:1 - - - - - CH2OH + O2 [=] HO2 + CH2O - - - 1.800000E+10 - 0 - 900.000000 - - - CH2OH:1 O2:1 - CH2O:1 HO2:1 - - - - - CH3O + O2 [=] HO2 + CH2O - - - 4.280000E-16 - 7.5999999999999996 - -3530.000000 - - - CH3O:1 O2:1 - CH2O:1 HO2:1 - - - - - C2H + O2 [=] HCO + CO - - - 1.000000E+10 - 0 - -755.000000 - - - C2H:1 O2:1 - CO:1 HCO:1 - - - - - C2H + H2 [=] H + C2H2 - - - 5.680000E+07 - 0.90000000000000002 - 1993.000000 - - - H2:1 C2H:1 - H:1 C2H2:1 - - - - - C2H3 + O2 [=] HCO + CH2O - - - 4.580000E+13 - -1.3899999999999999 - 1015.000000 - - - C2H3:1 O2:1 - CH2O:1 HCO:1 - - - - - C2H4 (+ M) [=] H2 + C2H2 (+ M) - - - 8.000000E+12 - 0.44 - 86770.000000 - - - 1.580000E+48 - -9.3000000000000007 - 97800.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7345 180 1035 5417 - - C2H4:1 - H2:1 C2H2:1 - - - - - C2H5 + O2 [=] HO2 + C2H4 - - - 8.400000E+08 - 0 - 3875.000000 - - - C2H5:1 O2:1 - C2H4:1 HO2:1 - - - - - HCCO + O2 [=] OH + 2 CO - - - 3.200000E+09 - 0 - 854.000000 - - - HCCO:1 O2:1 - CO:2 OH:1 - - - - - 2 HCCO [=] 2 CO + C2H2 - - - 1.000000E+10 - 0 - 0.000000 - - - HCCO:2 - CO:2 C2H2:1 - - - - - N + NO [=] N2 + O - - - 2.700000E+10 - 0 - 355.000000 - - - NO:1 N:1 - N2:1 O:1 - - - - - N + O2 [=] NO + O - - - 9.000000E+06 - 1 - 6500.000000 - - - O2:1 N:1 - O:1 NO:1 - - - - - N + OH [=] NO + H - - - 3.360000E+10 - 0 - 385.000000 - - - OH:1 N:1 - H:1 NO:1 - - - - - N2O + O [=] N2 + O2 - - - 1.400000E+09 - 0 - 10810.000000 - - - N2O:1 O:1 - N2:1 O2:1 - - - - - N2O + O [=] 2 NO - - - 2.900000E+10 - 0 - 23150.000000 - - - N2O:1 O:1 - NO:2 - - - - - N2O + H [=] N2 + OH - - - 3.870000E+11 - 0 - 18880.000000 - - - H:1 N2O:1 - N2:1 OH:1 - - - - - N2O + OH [=] N2 + HO2 - - - 2.000000E+09 - 0 - 21060.000000 - - - N2O:1 OH:1 - N2:1 HO2:1 - - - - - N2O (+ M) [=] N2 + O (+ M) - - - 7.910000E+10 - 0 - 56020.000000 - - - 6.370000E+11 - 0 - 56640.000000 - - AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - N2O:1 - N2:1 O:1 - - - - - HO2 + NO [=] NO2 + OH - - - 2.110000E+09 - 0 - -480.000000 - - - HO2:1 NO:1 - NO2:1 OH:1 - - - - - NO + O + M [=] NO2 + M - - - 1.060000E+14 - -1.4099999999999999 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - O:1 NO:1 - NO2:1 - - - - - NO2 + O [=] NO + O2 - - - 3.900000E+09 - 0 - -240.000000 - - - O:1 NO2:1 - O2:1 NO:1 - - - - - NO2 + H [=] NO + OH - - - 1.320000E+11 - 0 - 360.000000 - - - H:1 NO2:1 - OH:1 NO:1 - - - - - NH + O [=] NO + H - - - 4.000000E+10 - 0 - 0.000000 - - - NH:1 O:1 - H:1 NO:1 - - - - - NH + H [=] N + H2 - - - 3.200000E+10 - 0 - 330.000000 - - - NH:1 H:1 - H2:1 N:1 - - - - - NH + OH [=] HNO + H - - - 2.000000E+10 - 0 - 0.000000 - - - NH:1 OH:1 - H:1 HNO:1 - - - - - NH + OH [=] N + H2O - - - 2.000000E+06 - 1.2 - 0.000000 - - - NH:1 OH:1 - H2O:1 N:1 - - - - - NH + O2 [=] HNO + O - - - 4.610000E+02 - 2 - 6500.000000 - - - NH:1 O2:1 - O:1 HNO:1 - - - - - NH + O2 [=] NO + OH - - - 1.280000E+03 - 1.5 - 100.000000 - - - NH:1 O2:1 - OH:1 NO:1 - - - - - NH + N [=] N2 + H - - - 1.500000E+10 - 0 - 0.000000 - - - NH:1 N:1 - H:1 N2:1 - - - - - NH + H2O [=] HNO + H2 - - - 2.000000E+10 - 0 - 13850.000000 - - - NH:1 H2O:1 - H2:1 HNO:1 - - - - - NH + NO [=] N2 + OH - - - 2.160000E+10 - -0.23000000000000001 - 0.000000 - - - NH:1 NO:1 - N2:1 OH:1 - - - - - NH + NO [=] N2O + H - - - 3.650000E+11 - -0.45000000000000001 - 0.000000 - - - NH:1 NO:1 - H:1 N2O:1 - - - - - NH2 + O [=] OH + NH - - - 3.000000E+09 - 0 - 0.000000 - - - O:1 NH2:1 - NH:1 OH:1 - - - - - NH2 + O [=] H + HNO - - - 3.900000E+10 - 0 - 0.000000 - - - O:1 NH2:1 - H:1 HNO:1 - - - - - NH2 + H [=] NH + H2 - - - 4.000000E+10 - 0 - 3650.000000 - - - H:1 NH2:1 - NH:1 H2:1 - - - - - NH2 + OH [=] NH + H2O - - - 9.000000E+04 - 1.5 - -460.000000 - - - OH:1 NH2:1 - NH:1 H2O:1 - - - - - NNH [=] N2 + H - - - 3.300000E+08 - 0 - 0.000000 - - - NNH:1 - H:1 N2:1 - - - - - NNH + M [=] N2 + H + M - - - 1.300000E+11 - -0.11 - 4980.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NNH:1 - H:1 N2:1 - - - - - NNH + O2 [=] HO2 + N2 - - - 5.000000E+09 - 0 - 0.000000 - - - O2:1 NNH:1 - N2:1 HO2:1 - - - - - NNH + O [=] OH + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - N2:1 OH:1 - - - - - NNH + O [=] NH + NO - - - 7.000000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - NH:1 NO:1 - - - - - NNH + H [=] H2 + N2 - - - 5.000000E+10 - 0 - 0.000000 - - - H:1 NNH:1 - H2:1 N2:1 - - - - - NNH + OH [=] H2O + N2 - - - 2.000000E+10 - 0 - 0.000000 - - - OH:1 NNH:1 - H2O:1 N2:1 - - - - - NNH + CH3 [=] CH4 + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - CH3:1 NNH:1 - N2:1 CH4:1 - - - - - H + NO + M [=] HNO + M - - - 4.480000E+13 - -1.3200000000000001 - 740.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 NO:1 - HNO:1 - - - - - HNO + O [=] NO + OH - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 HNO:1 - OH:1 NO:1 - - - - - HNO + H [=] H2 + NO - - - 9.000000E+08 - 0.71999999999999997 - 660.000000 - - - H:1 HNO:1 - H2:1 NO:1 - - - - - HNO + OH [=] NO + H2O - - - 1.300000E+04 - 1.8999999999999999 - -950.000000 - - - HNO:1 OH:1 - H2O:1 NO:1 - - - - - HNO + O2 [=] HO2 + NO - - - 1.000000E+10 - 0 - 13000.000000 - - - O2:1 HNO:1 - HO2:1 NO:1 - - - - - CN + O [=] CO + N - - - 7.700000E+10 - 0 - 0.000000 - - - CN:1 O:1 - CO:1 N:1 - - - - - CN + OH [=] NCO + H - - - 4.000000E+10 - 0 - 0.000000 - - - CN:1 OH:1 - H:1 NCO:1 - - - - - CN + H2O [=] HCN + OH - - - 8.000000E+09 - 0 - 7460.000000 - - - H2O:1 CN:1 - HCN:1 OH:1 - - - - - CN + O2 [=] NCO + O - - - 6.140000E+09 - 0 - -440.000000 - - - CN:1 O2:1 - O:1 NCO:1 - - - - - CN + H2 [=] HCN + H - - - 2.950000E+02 - 2.4500000000000002 - 2240.000000 - - - H2:1 CN:1 - H:1 HCN:1 - - - - - NCO + O [=] NO + CO - - - 2.350000E+10 - 0 - 0.000000 - - - O:1 NCO:1 - CO:1 NO:1 - - - - - NCO + H [=] NH + CO - - - 5.400000E+10 - 0 - 0.000000 - - - H:1 NCO:1 - NH:1 CO:1 - - - - - NCO + OH [=] NO + H + CO - - - 2.500000E+09 - 0 - 0.000000 - - - OH:1 NCO:1 - H:1 CO:1 NO:1 - - - - - NCO + N [=] N2 + CO - - - 2.000000E+10 - 0 - 0.000000 - - - N:1 NCO:1 - N2:1 CO:1 - - - - - NCO + O2 [=] NO + CO2 - - - 2.000000E+09 - 0 - 20000.000000 - - - O2:1 NCO:1 - CO2:1 NO:1 - - - - - NCO + M [=] N + CO + M - - - 3.100000E+11 - 0 - 54050.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NCO:1 - CO:1 N:1 - - - - - NCO + NO [=] N2O + CO - - - 1.900000E+14 - -1.52 - 740.000000 - - - NO:1 NCO:1 - CO:1 N2O:1 - - - - - NCO + NO [=] N2 + CO2 - - - 3.800000E+15 - -2 - 800.000000 - - - NO:1 NCO:1 - N2:1 CO2:1 - - - - - HCN + M [=] H + CN + M - - - 1.040000E+26 - -3.2999999999999998 - 126600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HCN:1 - H:1 CN:1 - - - - - HCN + O [=] NCO + H - - - 2.030000E+01 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - H:1 NCO:1 - - - - - HCN + O [=] NH + CO - - - 5.070000E+00 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - NH:1 CO:1 - - - - - HCN + O [=] CN + OH - - - 3.910000E+06 - 1.5800000000000001 - 26600.000000 - - - HCN:1 O:1 - CN:1 OH:1 - - - - - HCN + OH [=] HOCN + H - - - 1.100000E+03 - 2.0299999999999998 - 13370.000000 - - - HCN:1 OH:1 - HOCN:1 H:1 - - - - - HCN + OH [=] HNCO + H - - - 4.400000E+00 - 2.2599999999999998 - 6400.000000 - - - HCN:1 OH:1 - HNCO:1 H:1 - - - - - HCN + OH [=] NH2 + CO - - - 1.600000E-01 - 2.5600000000000001 - 9000.000000 - - - HCN:1 OH:1 - CO:1 NH2:1 - - - - - H + HCN (+ M) [=] H2CN (+ M) - - - 3.300000E+10 - 0 - 0.000000 - - - 1.400000E+20 - -3.3999999999999999 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - H:1 HCN:1 - H2CN:1 - - - - - H2CN + N [=] N2 + CH2 - - - 6.000000E+10 - 0 - 400.000000 - - - H2CN:1 N:1 - N2:1 CH2:1 - - - - - C + N2 [=] CN + N - - - 6.300000E+10 - 0 - 46020.000000 - - - C:1 N2:1 - CN:1 N:1 - - - - - CH + N2 [=] HCN + N - - - 3.120000E+06 - 0.88 - 20130.000000 - - - N2:1 CH:1 - HCN:1 N:1 - - - - - CH + N2 (+ M) [=] HCNN (+ M) - - - 3.100000E+09 - 0.14999999999999999 - 0.000000 - - - 1.300000E+19 - -3.1600000000000001 - 740.000000 - - AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.667 235 2117 4536 - - N2:1 CH:1 - HCNN:1 - - - - - CH2 + N2 [=] HCN + NH - - - 1.000000E+10 - 0 - 74000.000000 - - - CH2:1 N2:1 - NH:1 HCN:1 - - - - - CH2(S) + N2 [=] NH + HCN - - - 1.000000E+08 - 0 - 65000.000000 - - - CH2(S):1 N2:1 - NH:1 HCN:1 - - - - - C + NO [=] CN + O - - - 1.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CN:1 O:1 - - - - - C + NO [=] CO + N - - - 2.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CO:1 N:1 - - - - - CH + NO [=] HCN + O - - - 4.100000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCN:1 O:1 - - - - - CH + NO [=] H + NCO - - - 1.620000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - H:1 NCO:1 - - - - - CH + NO [=] N + HCO - - - 2.460000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCO:1 N:1 - - - - - CH2 + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2:1 NO:1 - HNCO:1 H:1 - - - - - CH2 + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2:1 NO:1 - HCN:1 OH:1 - - - - - CH2 + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2:1 NO:1 - H:1 HCNO:1 - - - - - CH2(S) + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2(S):1 NO:1 - HNCO:1 H:1 - - - - - CH2(S) + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2(S):1 NO:1 - HCN:1 OH:1 - - - - - CH2(S) + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2(S):1 NO:1 - H:1 HCNO:1 - - - - - CH3 + NO [=] HCN + H2O - - - 9.600000E+10 - 0 - 28800.000000 - - - CH3:1 NO:1 - H2O:1 HCN:1 - - - - - CH3 + NO [=] H2CN + OH - - - 1.000000E+09 - 0 - 21750.000000 - - - CH3:1 NO:1 - H2CN:1 OH:1 - - - - - HCNN + O [=] CO + H + N2 - - - 2.200000E+10 - 0 - 0.000000 - - - O:1 HCNN:1 - H:1 N2:1 CO:1 - - - - - HCNN + O [=] HCN + NO - - - 2.000000E+09 - 0 - 0.000000 - - - O:1 HCNN:1 - HCN:1 NO:1 - - - - - HCNN + O2 [=] O + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - O2:1 HCNN:1 - N2:1 HCO:1 O:1 - - - - - HCNN + OH [=] H + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - OH:1 HCNN:1 - H:1 N2:1 HCO:1 - - - - - HCNN + H [=] CH2 + N2 - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCNN:1 - CH2:1 N2:1 - - - - - HNCO + O [=] NH + CO2 - - - 9.800000E+04 - 1.4099999999999999 - 8500.000000 - - - HNCO:1 O:1 - NH:1 CO2:1 - - - - - HNCO + O [=] HNO + CO - - - 1.500000E+05 - 1.5700000000000001 - 44000.000000 - - - HNCO:1 O:1 - CO:1 HNO:1 - - - - - HNCO + O [=] NCO + OH - - - 2.200000E+03 - 2.1099999999999999 - 11400.000000 - - - HNCO:1 O:1 - OH:1 NCO:1 - - - - - HNCO + H [=] NH2 + CO - - - 2.250000E+04 - 1.7 - 3800.000000 - - - HNCO:1 H:1 - CO:1 NH2:1 - - - - - HNCO + H [=] H2 + NCO - - - 1.050000E+02 - 2.5 - 13300.000000 - - - HNCO:1 H:1 - H2:1 NCO:1 - - - - - HNCO + OH [=] NCO + H2O - - - 3.300000E+04 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - H2O:1 NCO:1 - - - - - HNCO + OH [=] NH2 + CO2 - - - 3.300000E+03 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - CO2:1 NH2:1 - - - - - HNCO + M [=] NH + CO + M - - - 1.180000E+13 - 0 - 84720.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HNCO:1 - NH:1 CO:1 - - - - - HCNO + H [=] H + HNCO - - - 2.100000E+12 - -0.68999999999999995 - 2850.000000 - - - H:1 HCNO:1 - HNCO:1 H:1 - - - - - HCNO + H [=] OH + HCN - - - 2.700000E+08 - 0.17999999999999999 - 2120.000000 - - - H:1 HCNO:1 - HCN:1 OH:1 - - - - - HCNO + H [=] NH2 + CO - - - 1.700000E+11 - -0.75 - 2890.000000 - - - H:1 HCNO:1 - CO:1 NH2:1 - - - - - HOCN + H [=] H + HNCO - - - 2.000000E+04 - 2 - 2000.000000 - - - HOCN:1 H:1 - HNCO:1 H:1 - - - - - HCCO + NO [=] HCNO + CO - - - 9.000000E+09 - 0 - 0.000000 - - - HCCO:1 NO:1 - CO:1 HCNO:1 - - - - - CH3 + N [=] H2CN + H - - - 6.100000E+11 - -0.31 - 290.000000 - - - CH3:1 N:1 - H:1 H2CN:1 - - - - - CH3 + N [=] HCN + H2 - - - 3.700000E+09 - 0.14999999999999999 - -90.000000 - - - CH3:1 N:1 - H2:1 HCN:1 - - - - - NH3 + H [=] NH2 + H2 - - - 5.400000E+02 - 2.3999999999999999 - 9915.000000 - - - H:1 NH3:1 - H2:1 NH2:1 - - - - - NH3 + OH [=] NH2 + H2O - - - 5.000000E+04 - 1.6000000000000001 - 955.000000 - - - NH3:1 OH:1 - H2O:1 NH2:1 - - - - - NH3 + O [=] NH2 + OH - - - 9.400000E+03 - 1.9399999999999999 - 6460.000000 - - - O:1 NH3:1 - OH:1 NH2:1 - - - - - NH + CO2 [=] HNO + CO - - - 1.000000E+10 - 0 - 14350.000000 - - - NH:1 CO2:1 - CO:1 HNO:1 - - - - - CN + NO2 [=] NCO + NO - - - 6.160000E+12 - -0.752 - 345.000000 - - - CN:1 NO2:1 - NO:1 NCO:1 - - - - - NCO + NO2 [=] N2O + CO2 - - - 3.250000E+09 - 0 - -705.000000 - - - NO2:1 NCO:1 - CO2:1 N2O:1 - - - - - N + CO2 [=] NO + CO - - - 3.000000E+09 - 0 - 11300.000000 - - - CO2:1 N:1 - CO:1 NO:1 - - - - - O + CH3 =] H + H2 + CO - - - 3.370000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - H2:1 H:1 CO:1 - - - - - O + C2H4 [=] H + CH2CHO - - - 6.700000E+03 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - H:1 CH2CHO:1 - - - - - O + C2H5 [=] H + CH3CHO - - - 1.096000E+11 - 0 - 0.000000 - - - C2H5:1 O:1 - H:1 CH3CHO:1 - - - - - OH + HO2 [=] O2 + H2O - - - 5.000000E+12 - 0 - 17330.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + CH3 =] H2 + CH2O - - - 8.000000E+06 - 0.5 - -1755.000000 - - - CH3:1 OH:1 - H2:1 CH2O:1 - - - - - CH + H2 (+ M) [=] CH3 (+ M) - - - 1.970000E+09 - 0.42999999999999999 - -370.000000 - - - 4.820000E+19 - -2.7999999999999998 - 590.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.578 122 2535 9365 - - H2:1 CH:1 - CH3:1 - - - - - CH2 + O2 =] 2 H + CO2 - - - 5.800000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:2 CO2:1 - - - - - CH2 + O2 [=] O + CH2O - - - 2.400000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - CH2O:1 O:1 - - - - - CH2 + CH2 =] 2 H + C2H2 - - - 2.000000E+11 - 0 - 10989.000000 - - - CH2:2 - H:2 C2H2:1 - - - - - CH2(S) + H2O =] H2 + CH2O - - - 6.820000E+07 - 0.25 - -935.000000 - - - CH2(S):1 H2O:1 - H2:1 CH2O:1 - - - - - C2H3 + O2 [=] O + CH2CHO - - - 3.030000E+08 - 0.28999999999999998 - 11.000000 - - - C2H3:1 O2:1 - CH2CHO:1 O:1 - - - - - C2H3 + O2 [=] HO2 + C2H2 - - - 1.337000E+03 - 1.6100000000000001 - -384.000000 - - - C2H3:1 O2:1 - HO2:1 C2H2:1 - - - - - O + CH3CHO [=] OH + CH2CHO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH2CHO:1 OH:1 - - - - - O + CH3CHO =] OH + CH3 + CO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH3:1 CO:1 OH:1 - - - - - O2 + CH3CHO =] HO2 + CH3 + CO - - - 3.010000E+10 - 0 - 39150.000000 - - - CH3CHO:1 O2:1 - CO:1 CH3:1 HO2:1 - - - - - H + CH3CHO [=] CH2CHO + H2 - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH2CHO:1 - - - - - H + CH3CHO =] CH3 + H2 + CO - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH3:1 CO:1 - - - - - OH + CH3CHO =] CH3 + H2O + CO - - - 2.343000E+07 - 0.72999999999999998 - -1113.000000 - - - CH3CHO:1 OH:1 - H2O:1 CH3:1 CO:1 - - - - - HO2 + CH3CHO =] CH3 + H2O2 + CO - - - 3.010000E+09 - 0 - 11923.000000 - - - CH3CHO:1 HO2:1 - CH3:1 CO:1 H2O2:1 - - - - - CH3 + CH3CHO =] CH3 + CH4 + CO - - - 2.720000E+03 - 1.77 - 5920.000000 - - - CH3CHO:1 CH3:1 - CO:1 CH3:1 CH4:1 - - - - - H + CH2CO (+ M) [=] CH2CHO (+ M) - - - 4.865000E+08 - 0.42199999999999999 - -1755.000000 - - - 1.012000E+36 - -7.6299999999999999 - 3854.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.465 201 1773 5333 - - H:1 CH2CO:1 - CH2CHO:1 - - - - - O + CH2CHO =] H + CH2 + CO2 - - - 1.500000E+11 - 0 - 0.000000 - - - CH2CHO:1 O:1 - H:1 CH2:1 CO2:1 - - - - - O2 + CH2CHO =] OH + CO + CH2O - - - 1.810000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - CH2O:1 CO:1 OH:1 - - - - - O2 + CH2CHO =] OH + 2 HCO - - - 2.350000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - HCO:2 OH:1 - - - - - H + CH2CHO [=] CH3 + HCO - - - 2.200000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - CH3:1 HCO:1 - - - - - H + CH2CHO [=] CH2CO + H2 - - - 1.100000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - H2:1 CH2CO:1 - - - - - OH + CH2CHO [=] H2O + CH2CO - - - 1.200000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - H2O:1 CH2CO:1 - - - - - OH + CH2CHO [=] HCO + CH2OH - - - 3.010000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - CH2OH:1 HCO:1 - - - - - CH3 + C2H5 (+ M) [=] C3H8 (+ M) - - - 9.430000E+09 - 0 - 0.000000 - - - 2.710000E+68 - -16.82 - 13065.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1527 291 2742 7748 - - C2H5:1 CH3:1 - C3H8:1 - - - - - O + C3H8 [=] OH + C3H7 - - - 1.930000E+02 - 2.6800000000000002 - 3716.000000 - - - C3H8:1 O:1 - C3H7:1 OH:1 - - - - - H + C3H8 [=] C3H7 + H2 - - - 1.320000E+03 - 2.54 - 6756.000000 - - - H:1 C3H8:1 - H2:1 C3H7:1 - - - - - OH + C3H8 [=] C3H7 + H2O - - - 3.160000E+04 - 1.8 - 934.000000 - - - C3H8:1 OH:1 - C3H7:1 H2O:1 - - - - - C3H7 + H2O2 [=] HO2 + C3H8 - - - 3.780000E-01 - 2.7200000000000002 - 1500.000000 - - - C3H7:1 H2O2:1 - HO2:1 C3H8:1 - - - - - CH3 + C3H8 [=] C3H7 + CH4 - - - 9.030000E-04 - 3.6499999999999999 - 7154.000000 - - - CH3:1 C3H8:1 - C3H7:1 CH4:1 - - - - - CH3 + C2H4 (+ M) [=] C3H7 (+ M) - - - 2.550000E+03 - 1.6000000000000001 - 5700.000000 - - - 3.000000E+57 - -14.6 - 18170.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1894 277 8748 7891 - - CH3:1 C2H4:1 - C3H7:1 - - - - - O + C3H7 [=] C2H5 + CH2O - - - 9.640000E+10 - 0 - 0.000000 - - - C3H7:1 O:1 - CH2O:1 C2H5:1 - - - - - H + C3H7 (+ M) [=] C3H8 (+ M) - - - 3.613000E+10 - 0 - 0.000000 - - - 4.420000E+55 - -13.545 - 11357.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.315 369 3285 6667 - - H:1 C3H7:1 - C3H8:1 - - - - - H + C3H7 [=] CH3 + C2H5 - - - 4.060000E+03 - 2.1899999999999999 - 890.000000 - - - H:1 C3H7:1 - C2H5:1 CH3:1 - - - - - OH + C3H7 [=] C2H5 + CH2OH - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 OH:1 - CH2OH:1 C2H5:1 - - - - - HO2 + C3H7 [=] O2 + C3H8 - - - 2.550000E+07 - 0.255 - -943.000000 - - - C3H7:1 HO2:1 - O2:1 C3H8:1 - - - - - HO2 + C3H7 =] OH + C2H5 + CH2O - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 HO2:1 - CH2O:1 C2H5:1 OH:1 - - - - - CH3 + C3H7 [=] 2 C2H5 - - - 1.927000E+10 - -0.32000000000000001 - 0.000000 - - - C3H7:1 CH3:1 - C2H5:2 - - - diff --git a/test_problems/pureFluidTest/liquidvapor.xml b/test_problems/pureFluidTest/liquidvapor.xml deleted file mode 100644 index 47b4ebefe..000000000 --- a/test_problems/pureFluidTest/liquidvapor.xml +++ /dev/null @@ -1,237 +0,0 @@ - - - - - - - O H - H2O - - 300.0 - 101325.0 - - - - - - - - N - N2 - - 300.0 - 101325.0 - - - - - - - - C H - CH4 - - 300.0 - 101325.0 - - - - - - - - H - H2 - - 300.0 - 101325.0 - - - - - - - - O - O2 - - 300.0 - 101325.0 - - - - - - - - C O - CO2 - - 280.0 - 101325.0 - - - - - - - - C H - C7H16 - - 300.0 - 101325.0 - - - - - - - - C F H - C2F4H2 - - 300.0 - 101325.0 - - - - - - - - - - - H:2 O:1 - - - - 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 - - - - 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 - - - - - - - N:2 - - - - 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 - - - - 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, - -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 - - - - - - - H:4 C:1 - - - - 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, - 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 - - - - 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, - -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 - - - - - - - O:2 - - - - 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 - - - - 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 - - - - - - - H:2 - - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - - - - C:1 O:2 - - - - 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, - -1.436995480E-13, -4.837196970E+04, 9.901052220E+00 - - - - 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, - -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 - - - - - - - H:16 C:7 - - - - 1.115324840E+01, -9.494154330E-03, 1.955711810E-04, -2.497525200E-07, - 9.848732130E-11, -2.677117350E+04, -1.590961100E+01 - - - - 1.853547040E+01, 3.914204680E-02, -1.380302680E-05, 2.224038740E-09, - -1.334525800E-13, -3.195007830E+04, -7.019028400E+01 - - - - - - - H:2 C:2 F:4 - - - 273.14999999999998 - 23083414.8686 - 167025.46599999999 - 0.0 - - - - - - diff --git a/test_problems/python/tut1/gri30.cti b/test_problems/python/tut1/gri30.cti deleted file mode 100644 index 7520b6ffb..000000000 --- a/test_problems/python/tut1/gri30.cti +++ /dev/null @@ -1,2123 +0,0 @@ -# -# Generated from file gri30.inp -# by ck2cti on Mon Aug 25 09:52:57 2003 -# -# Transport data from file ../transport/gri30_tran.dat. - -units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol") - - -ideal_gas(name = "gri30", - elements = " O H C N Ar ", - species = """ H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO """, - reactions = "all", - kinetics = "GRI30", - initial_state = state(temperature = 300.0, - pressure = OneAtm) ) - -ideal_gas(name = "gri30_mix", - elements = " O H C N Ar ", - species = """ H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO """, - reactions = "all", - kinetics = "GRI30", - transport = "Mix", - initial_state = state(temperature = 300.0, - pressure = OneAtm) ) - - -ideal_gas(name = "gri30_multi", - elements = " O H C N Ar ", - species = """ H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO """, - reactions = "all", - kinetics = "GRI30", - transport = "Multi", - initial_state = state(temperature = 300.0, - pressure = OneAtm) ) - - - -#------------------------------------------------------------------------------- -# Species data -#------------------------------------------------------------------------------- - -species(name = "H2", - atoms = " H:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.344331120E+00, 7.980520750E-03, - -1.947815100E-05, 2.015720940E-08, -7.376117610E-12, - -9.179351730E+02, 6.830102380E-01] ), - NASA( [ 1000.00, 3500.00], [ 3.337279200E+00, -4.940247310E-05, - 4.994567780E-07, -1.795663940E-10, 2.002553760E-14, - -9.501589220E+02, -3.205023310E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 2.92, - well_depth = 38.00, - polar = 0.79, - rot_relax = 280.00), - note = "TPIS78" - ) - -species(name = "H", - atoms = " H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 7.053328190E-13, - -1.995919640E-15, 2.300816320E-18, -9.277323320E-22, - 2.547365990E+04, -4.466828530E-01] ), - NASA( [ 1000.00, 3500.00], [ 2.500000010E+00, -2.308429730E-11, - 1.615619480E-14, -4.735152350E-18, 4.981973570E-22, - 2.547365990E+04, -4.466829140E-01] ) - ), - transport = gas_transport( - geom = "atom", - diam = 2.05, - well_depth = 145.00), - note = "L 7/88" - ) - -species(name = "O", - atoms = " O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.168267100E+00, -3.279318840E-03, - 6.643063960E-06, -6.128066240E-09, 2.112659710E-12, - 2.912225920E+04, 2.051933460E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.569420780E+00, -8.597411370E-05, - 4.194845890E-08, -1.001777990E-11, 1.228336910E-15, - 2.921757910E+04, 4.784338640E+00] ) - ), - transport = gas_transport( - geom = "atom", - diam = 2.75, - well_depth = 80.00), - note = "L 1/90" - ) - -species(name = "O2", - atoms = " O:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.782456360E+00, -2.996734160E-03, - 9.847302010E-06, -9.681295090E-09, 3.243728370E-12, - -1.063943560E+03, 3.657675730E+00] ), - NASA( [ 1000.00, 3500.00], [ 3.282537840E+00, 1.483087540E-03, - -7.579666690E-07, 2.094705550E-10, -2.167177940E-14, - -1.088457720E+03, 5.453231290E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.46, - well_depth = 107.40, - polar = 1.60, - rot_relax = 3.80), - note = "TPIS89" - ) - -species(name = "OH", - atoms = " O:1 H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.992015430E+00, -2.401317520E-03, - 4.617938410E-06, -3.881133330E-09, 1.364114700E-12, - 3.615080560E+03, -1.039254580E-01] ), - NASA( [ 1000.00, 3500.00], [ 3.092887670E+00, 5.484297160E-04, - 1.265052280E-07, -8.794615560E-11, 1.174123760E-14, - 3.858657000E+03, 4.476696100E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 2.75, - well_depth = 80.00), - note = "RUS 78" - ) - -species(name = "H2O", - atoms = " H:2 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.198640560E+00, -2.036434100E-03, - 6.520402110E-06, -5.487970620E-09, 1.771978170E-12, - -3.029372670E+04, -8.490322080E-01] ), - NASA( [ 1000.00, 3500.00], [ 3.033992490E+00, 2.176918040E-03, - -1.640725180E-07, -9.704198700E-11, 1.682009920E-14, - -3.000429710E+04, 4.966770100E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 2.60, - well_depth = 572.40, - dipole = 1.84, - rot_relax = 4.00), - note = "L 8/89" - ) - -species(name = "HO2", - atoms = " H:1 O:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.301798010E+00, -4.749120510E-03, - 2.115828910E-05, -2.427638940E-08, 9.292251240E-12, - 2.948080400E+02, 3.716662450E+00] ), - NASA( [ 1000.00, 3500.00], [ 4.017210900E+00, 2.239820130E-03, - -6.336581500E-07, 1.142463700E-10, -1.079085350E-14, - 1.118567130E+02, 3.785102150E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.46, - well_depth = 107.40, - rot_relax = 1.00), - note = "L 5/89" - ) - -species(name = "H2O2", - atoms = " H:2 O:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.276112690E+00, -5.428224170E-04, - 1.673357010E-05, -2.157708130E-08, 8.624543630E-12, - -1.770258210E+04, 3.435050740E+00] ), - NASA( [ 1000.00, 3500.00], [ 4.165002850E+00, 4.908316940E-03, - -1.901392250E-06, 3.711859860E-10, -2.879083050E-14, - -1.786178770E+04, 2.916156620E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.46, - well_depth = 107.40, - rot_relax = 3.80), - note = "L 7/88" - ) - -species(name = "C", - atoms = " C:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.554239550E+00, -3.215377240E-04, - 7.337922450E-07, -7.322348890E-10, 2.665214460E-13, - 8.544388320E+04, 4.531308480E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.492668880E+00, 4.798892840E-05, - -7.243350200E-08, 3.742910290E-11, -4.872778930E-15, - 8.545129530E+04, 4.801503730E+00] ) - ), - transport = gas_transport( - geom = "atom", - diam = 3.30, - well_depth = 71.40), - note = "L11/88" - ) - -species(name = "CH", - atoms = " C:1 H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.489816650E+00, 3.238355410E-04, - -1.688990650E-06, 3.162173270E-09, -1.406090670E-12, - 7.079729340E+04, 2.084011080E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.878464730E+00, 9.709136810E-04, - 1.444456550E-07, -1.306878490E-10, 1.760793830E-14, - 7.101243640E+04, 5.484979990E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 2.75, - well_depth = 80.00), - note = "TPIS79" - ) - -species(name = "CH2", - atoms = " C:1 H:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.762678670E+00, 9.688721430E-04, - 2.794898410E-06, -3.850911530E-09, 1.687417190E-12, - 4.600404010E+04, 1.562531850E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.874101130E+00, 3.656392920E-03, - -1.408945970E-06, 2.601795490E-10, -1.877275670E-14, - 4.626360400E+04, 6.171193240E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.80, - well_depth = 144.00), - note = "L S/93" - ) - -species(name = "CH2(S)", - atoms = " C:1 H:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.198604110E+00, -2.366614190E-03, - 8.232962200E-06, -6.688159810E-09, 1.943147370E-12, - 5.049681630E+04, -7.691189670E-01] ), - NASA( [ 1000.00, 3500.00], [ 2.292038420E+00, 4.655886370E-03, - -2.011919470E-06, 4.179060000E-10, -3.397163650E-14, - 5.092599970E+04, 8.626501690E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.80, - well_depth = 144.00), - note = "L S/93" - ) - -species(name = "CH3", - atoms = " C:1 H:3 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.673590400E+00, 2.010951750E-03, - 5.730218560E-06, -6.871174250E-09, 2.543857340E-12, - 1.644499880E+04, 1.604564330E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.285717720E+00, 7.239900370E-03, - -2.987143480E-06, 5.956846440E-10, -4.671543940E-14, - 1.677558430E+04, 8.480071790E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.80, - well_depth = 144.00), - note = "L11/89" - ) - -species(name = "CH4", - atoms = " C:1 H:4 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 5.149876130E+00, -1.367097880E-02, - 4.918005990E-05, -4.847430260E-08, 1.666939560E-11, - -1.024664760E+04, -4.641303760E+00] ), - NASA( [ 1000.00, 3500.00], [ 7.485149500E-02, 1.339094670E-02, - -5.732858090E-06, 1.222925350E-09, -1.018152300E-13, - -9.468344590E+03, 1.843731800E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.75, - well_depth = 141.40, - polar = 2.60, - rot_relax = 13.00), - note = "L 8/88" - ) - -species(name = "CO", - atoms = " C:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.579533470E+00, -6.103536800E-04, - 1.016814330E-06, 9.070058840E-10, -9.044244990E-13, - -1.434408600E+04, 3.508409280E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.715185610E+00, 2.062527430E-03, - -9.988257710E-07, 2.300530080E-10, -2.036477160E-14, - -1.415187240E+04, 7.818687720E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.65, - well_depth = 98.10, - polar = 1.95, - rot_relax = 1.80), - note = "TPIS79" - ) - -species(name = "CO2", - atoms = " C:1 O:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.356773520E+00, 8.984596770E-03, - -7.123562690E-06, 2.459190220E-09, -1.436995480E-13, - -4.837196970E+04, 9.901052220E+00] ), - NASA( [ 1000.00, 3500.00], [ 3.857460290E+00, 4.414370260E-03, - -2.214814040E-06, 5.234901880E-10, -4.720841640E-14, - -4.875916600E+04, 2.271638060E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.76, - well_depth = 244.00, - polar = 2.65, - rot_relax = 2.10), - note = "L 7/88" - ) - -species(name = "HCO", - atoms = " H:1 C:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.221185840E+00, -3.243925320E-03, - 1.377994460E-05, -1.331440930E-08, 4.337688650E-12, - 3.839564960E+03, 3.394372430E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.772174380E+00, 4.956955260E-03, - -2.484456130E-06, 5.891617780E-10, -5.335087110E-14, - 4.011918150E+03, 9.798344920E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.59, - well_depth = 498.00), - note = "L12/89" - ) - -species(name = "CH2O", - atoms = " H:2 C:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.793723150E+00, -9.908333690E-03, - 3.732200080E-05, -3.792852610E-08, 1.317726520E-11, - -1.430895670E+04, 6.028129000E-01] ), - NASA( [ 1000.00, 3500.00], [ 1.760690080E+00, 9.200000820E-03, - -4.422588130E-06, 1.006412120E-09, -8.838556400E-14, - -1.399583230E+04, 1.365632300E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.59, - well_depth = 498.00, - rot_relax = 2.00), - note = "L 8/88" - ) - -species(name = "CH2OH", - atoms = " C:1 H:3 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.863889180E+00, 5.596723040E-03, - 5.932717910E-06, -1.045320120E-08, 4.369672780E-12, - -3.193913670E+03, 5.473022430E+00] ), - NASA( [ 1000.00, 3500.00], [ 3.692665690E+00, 8.645767970E-03, - -3.751011200E-06, 7.872346360E-10, -6.485542010E-14, - -3.242506270E+03, 5.810432150E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.69, - well_depth = 417.00, - dipole = 1.70, - rot_relax = 2.00), - note = "GUNL93" - ) - -species(name = "CH3O", - atoms = " C:1 H:3 O:1 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 2.106204000E+00, 7.216595000E-03, - 5.338472000E-06, -7.377636000E-09, 2.075610000E-12, - 9.786011000E+02, 1.315217700E+01] ), - NASA( [ 1000.00, 3000.00], [ 3.770799000E+00, 7.871497000E-03, - -2.656384000E-06, 3.944431000E-10, -2.112616000E-14, - 1.278325200E+02, 2.929575000E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.69, - well_depth = 417.00, - dipole = 1.70, - rot_relax = 2.00), - note = "121686" - ) - -species(name = "CH3OH", - atoms = " C:1 H:4 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 5.715395820E+00, -1.523091290E-02, - 6.524411550E-05, -7.108068890E-08, 2.613526980E-11, - -2.564276560E+04, -1.504098230E+00] ), - NASA( [ 1000.00, 3500.00], [ 1.789707910E+00, 1.409382920E-02, - -6.365008350E-06, 1.381710850E-09, -1.170602200E-13, - -2.537487470E+04, 1.450236230E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.63, - well_depth = 481.80, - rot_relax = 1.00), - note = "L 8/88" - ) - -species(name = "C2H", - atoms = " C:2 H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.889657330E+00, 1.340996110E-02, - -2.847695010E-05, 2.947910450E-08, -1.093315110E-11, - 6.683939320E+04, 6.222964380E+00] ), - NASA( [ 1000.00, 3500.00], [ 3.167806520E+00, 4.752219020E-03, - -1.837870770E-06, 3.041902520E-10, -1.772327700E-14, - 6.712106500E+04, 6.635894750E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 4.10, - well_depth = 209.00, - rot_relax = 2.50), - note = "L 1/91" - ) - -species(name = "C2H2", - atoms = " C:2 H:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 8.086810940E-01, 2.336156290E-02, - -3.551718150E-05, 2.801524370E-08, -8.500729740E-12, - 2.642898070E+04, 1.393970510E+01] ), - NASA( [ 1000.00, 3500.00], [ 4.147569640E+00, 5.961666640E-03, - -2.372948520E-06, 4.674121710E-10, -3.612352130E-14, - 2.593599920E+04, -1.230281210E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 4.10, - well_depth = 209.00, - rot_relax = 2.50), - note = "L 1/91" - ) - -species(name = "C2H3", - atoms = " C:2 H:3 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.212466450E+00, 1.514791620E-03, - 2.592094120E-05, -3.576578470E-08, 1.471508730E-11, - 3.485984680E+04, 8.510540250E+00] ), - NASA( [ 1000.00, 3500.00], [ 3.016724000E+00, 1.033022920E-02, - -4.680823490E-06, 1.017632880E-09, -8.626070410E-14, - 3.461287390E+04, 7.787323780E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 4.10, - well_depth = 209.00, - rot_relax = 1.00), - note = "L 2/92" - ) - -species(name = "C2H4", - atoms = " C:2 H:4 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.959201480E+00, -7.570522470E-03, - 5.709902920E-05, -6.915887530E-08, 2.698843730E-11, - 5.089775930E+03, 4.097330960E+00] ), - NASA( [ 1000.00, 3500.00], [ 2.036111160E+00, 1.464541510E-02, - -6.710779150E-06, 1.472229230E-09, -1.257060610E-13, - 4.939886140E+03, 1.030536930E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.97, - well_depth = 280.80, - rot_relax = 1.50), - note = "L 1/91" - ) - -species(name = "C2H5", - atoms = " C:2 H:5 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.306465680E+00, -4.186588920E-03, - 4.971428070E-05, -5.991266060E-08, 2.305090040E-11, - 1.284162650E+04, 4.707209240E+00] ), - NASA( [ 1000.00, 3500.00], [ 1.954656420E+00, 1.739727220E-02, - -7.982066680E-06, 1.752176890E-09, -1.496415760E-13, - 1.285752000E+04, 1.346243430E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 4.30, - well_depth = 252.30, - rot_relax = 1.50), - note = "L12/92" - ) - -species(name = "C2H6", - atoms = " C:2 H:6 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.291424920E+00, -5.501542700E-03, - 5.994382880E-05, -7.084662850E-08, 2.686857710E-11, - -1.152220550E+04, 2.666823160E+00] ), - NASA( [ 1000.00, 3500.00], [ 1.071881500E+00, 2.168526770E-02, - -1.002560670E-05, 2.214120010E-09, -1.900028900E-13, - -1.142639320E+04, 1.511561070E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 4.30, - well_depth = 252.30, - rot_relax = 1.50), - note = "L 8/88" - ) - -species(name = "HCCO", - atoms = " H:1 C:2 O:1 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 2.251721400E+00, 1.765502100E-02, - -2.372910100E-05, 1.727575900E-08, -5.066481100E-12, - 2.005944900E+04, 1.249041700E+01] ), - NASA( [ 1000.00, 4000.00], [ 5.628205800E+00, 4.085340100E-03, - -1.593454700E-06, 2.862605200E-10, -1.940783200E-14, - 1.932721500E+04, -3.930259500E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 2.50, - well_depth = 150.00, - rot_relax = 1.00), - note = "SRIC91" - ) - -species(name = "CH2CO", - atoms = " C:2 H:2 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.135836300E+00, 1.811887210E-02, - -1.739474740E-05, 9.343975680E-09, -2.014576150E-12, - -7.042918040E+03, 1.221564800E+01] ), - NASA( [ 1000.00, 3500.00], [ 4.511297320E+00, 9.003597450E-03, - -4.169396350E-06, 9.233458820E-10, -7.948382010E-14, - -7.551053110E+03, 6.322472050E-01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.97, - well_depth = 436.00, - rot_relax = 2.00), - note = "L 5/90" - ) - -species(name = "HCCOH", - atoms = " C:2 O:1 H:2 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 1.242373300E+00, 3.107220100E-02, - -5.086686400E-05, 4.313713100E-08, -1.401459400E-11, - 8.031614300E+03, 1.387431900E+01] ), - NASA( [ 1000.00, 5000.00], [ 5.923829100E+00, 6.792360000E-03, - -2.565856400E-06, 4.498784100E-10, -2.994010100E-14, - 7.264626000E+03, -7.601774200E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.97, - well_depth = 436.00, - rot_relax = 2.00), - note = "SRI91" - ) - -species(name = "N", - atoms = " N:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, - 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 5.610463700E+04, 4.193908700E+00] ), - NASA( [ 1000.00, 6000.00], [ 2.415942900E+00, 1.748906500E-04, - -1.190236900E-07, 3.022624500E-11, -2.036098200E-15, - 5.613377300E+04, 4.649609600E+00] ) - ), - transport = gas_transport( - geom = "atom", - diam = 3.30, - well_depth = 71.40), - note = "L 6/88" - ) - -species(name = "NH", - atoms = " N:1 H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.492908500E+00, 3.117919800E-04, - -1.489048400E-06, 2.481644200E-09, -1.035696700E-12, - 4.188062900E+04, 1.848327800E+00] ), - NASA( [ 1000.00, 6000.00], [ 2.783692800E+00, 1.329843000E-03, - -4.247804700E-07, 7.834850100E-11, -5.504447000E-15, - 4.212084800E+04, 5.740779900E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 2.65, - well_depth = 80.00, - rot_relax = 4.00), - note = "And94" - ) - -species(name = "NH2", - atoms = " N:1 H:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.204002900E+00, -2.106138500E-03, - 7.106834800E-06, -5.611519700E-09, 1.644071700E-12, - 2.188591000E+04, -1.418424800E-01] ), - NASA( [ 1000.00, 6000.00], [ 2.834742100E+00, 3.207308200E-03, - -9.339080400E-07, 1.370295300E-10, -7.920614400E-15, - 2.217195700E+04, 6.520416300E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 2.65, - well_depth = 80.00, - polar = 2.26, - rot_relax = 4.00), - note = "And89" - ) - -species(name = "NH3", - atoms = " N:1 H:3 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.286027400E+00, -4.660523000E-03, - 2.171851300E-05, -2.280888700E-08, 8.263804600E-12, - -6.741728500E+03, -6.253727700E-01] ), - NASA( [ 1000.00, 6000.00], [ 2.634452100E+00, 5.666256000E-03, - -1.727867600E-06, 2.386716100E-10, -1.257878600E-14, - -6.544695800E+03, 6.566292800E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 2.92, - well_depth = 481.00, - dipole = 1.47, - rot_relax = 10.00), - note = "J 6/77" - ) - -species(name = "NNH", - atoms = " N:2 H:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.344692700E+00, -4.849707200E-03, - 2.005945900E-05, -2.172646400E-08, 7.946953900E-12, - 2.879197300E+04, 2.977941000E+00] ), - NASA( [ 1000.00, 6000.00], [ 3.766754400E+00, 2.891508200E-03, - -1.041662000E-06, 1.684259400E-10, -1.009189600E-14, - 2.865069700E+04, 4.470506700E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.80, - well_depth = 71.40, - rot_relax = 1.00), - note = "T07/93" - ) - -species(name = "NO", - atoms = " N:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.218476300E+00, -4.638976000E-03, - 1.104102200E-05, -9.336135400E-09, 2.803577000E-12, - 9.844623000E+03, 2.280846400E+00] ), - NASA( [ 1000.00, 6000.00], [ 3.260605600E+00, 1.191104300E-03, - -4.291704800E-07, 6.945766900E-11, -4.033609900E-15, - 9.920974600E+03, 6.369302700E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.62, - well_depth = 97.53, - polar = 1.76, - rot_relax = 4.00), - note = "RUS 78" - ) - -species(name = "NO2", - atoms = " N:1 O:2 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.944031200E+00, -1.585429000E-03, - 1.665781200E-05, -2.047542600E-08, 7.835056400E-12, - 2.896617900E+03, 6.311991700E+00] ), - NASA( [ 1000.00, 6000.00], [ 4.884754200E+00, 2.172395600E-03, - -8.280690600E-07, 1.574751000E-10, -1.051089500E-14, - 2.316498300E+03, -1.174169500E-01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.50, - well_depth = 200.00, - rot_relax = 1.00), - note = "L 7/88" - ) - -species(name = "N2O", - atoms = " N:2 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.257150200E+00, 1.130472800E-02, - -1.367131900E-05, 9.681980600E-09, -2.930718200E-12, - 8.741774400E+03, 1.075799200E+01] ), - NASA( [ 1000.00, 6000.00], [ 4.823072900E+00, 2.627025100E-03, - -9.585087400E-07, 1.600071200E-10, -9.775230300E-15, - 8.073404800E+03, -2.201720700E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.83, - well_depth = 232.40, - rot_relax = 1.00), - note = "L 7/88" - ) - -species(name = "HNO", - atoms = " H:1 N:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.533491600E+00, -5.669617100E-03, - 1.847320700E-05, -1.713709400E-08, 5.545457300E-12, - 1.154829700E+04, 1.749841700E+00] ), - NASA( [ 1000.00, 6000.00], [ 2.979250900E+00, 3.494405900E-03, - -7.854977800E-07, 5.747959400E-11, -1.933591600E-16, - 1.175058200E+04, 8.606372800E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.49, - well_depth = 116.70, - rot_relax = 1.00), - note = "And93" - ) - -species(name = "CN", - atoms = " C:1 N:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 3.612935100E+00, -9.555132700E-04, - 2.144297700E-06, -3.151632300E-10, -4.643035600E-13, - 5.170834000E+04, 3.980499500E+00] ), - NASA( [ 1000.00, 6000.00], [ 3.745980500E+00, 4.345077500E-05, - 2.970598400E-07, -6.865180600E-11, 4.413417300E-15, - 5.153618800E+04, 2.786760100E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.86, - well_depth = 75.00, - rot_relax = 1.00), - note = "HBH92" - ) - -species(name = "HCN", - atoms = " H:1 C:1 N:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.258988600E+00, 1.005117000E-02, - -1.335176300E-05, 1.009234900E-08, -3.008902800E-12, - 1.471263300E+04, 8.916441900E+00] ), - NASA( [ 1000.00, 6000.00], [ 3.802239200E+00, 3.146422800E-03, - -1.063218500E-06, 1.661975700E-10, -9.799757000E-15, - 1.440729200E+04, 1.575460100E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.63, - well_depth = 569.00, - rot_relax = 1.00), - note = "GRI/98" - ) - -species(name = "H2CN", - atoms = " H:2 C:1 N:1 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 2.851661000E+00, 5.695233100E-03, - 1.071140000E-06, -1.622612000E-09, -2.351108100E-13, - 2.863782000E+04, 8.992751100E+00] ), - NASA( [ 1000.00, 4000.00], [ 5.209703000E+00, 2.969291100E-03, - -2.855589100E-07, -1.635550000E-10, 3.043258900E-14, - 2.767710900E+04, -4.444478000E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.63, - well_depth = 569.00, - rot_relax = 1.00), - note = "41687" - ) - -species(name = "HCNN", - atoms = " C:1 N:2 H:1 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 2.524319400E+00, 1.596061900E-02, - -1.881635400E-05, 1.212554000E-08, -3.235737800E-12, - 5.426198400E+04, 1.167587000E+01] ), - NASA( [ 1000.00, 5000.00], [ 5.894636200E+00, 3.989595900E-03, - -1.598238000E-06, 2.924939500E-10, -2.009468600E-14, - 5.345294100E+04, -5.103050200E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 2.50, - well_depth = 150.00, - rot_relax = 1.00), - note = "SRI/94" - ) - -species(name = "HCNO", - atoms = " H:1 N:1 C:1 O:1 ", - thermo = ( - NASA( [ 300.00, 1382.00], [ 2.647279890E+00, 1.275053420E-02, - -1.047942360E-05, 4.414328360E-09, -7.575214660E-13, - 1.929902520E+04, 1.073329720E+01] ), - NASA( [ 1382.00, 5000.00], [ 6.598604560E+00, 3.027786260E-03, - -1.077043460E-06, 1.716665280E-10, -1.014393910E-14, - 1.796613390E+04, -1.033065990E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.83, - well_depth = 232.40, - rot_relax = 1.00), - note = "BDEA94" - ) - -species(name = "HOCN", - atoms = " H:1 N:1 C:1 O:1 ", - thermo = ( - NASA( [ 300.00, 1368.00], [ 3.786049520E+00, 6.886679220E-03, - -3.214878640E-06, 5.171957670E-10, 1.193607880E-14, - -2.826984000E+03, 5.632921620E+00] ), - NASA( [ 1368.00, 5000.00], [ 5.897848850E+00, 3.167893930E-03, - -1.118010640E-06, 1.772431440E-10, -1.043391770E-14, - -3.706533310E+03, -6.181678250E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.83, - well_depth = 232.40, - rot_relax = 1.00), - note = "BDEA94" - ) - -species(name = "HNCO", - atoms = " H:1 N:1 C:1 O:1 ", - thermo = ( - NASA( [ 300.00, 1478.00], [ 3.630963170E+00, 7.302823570E-03, - -2.280500030E-06, -6.612712980E-10, 3.622357520E-13, - -1.558736360E+04, 6.194577270E+00] ), - NASA( [ 1478.00, 5000.00], [ 6.223951340E+00, 3.178640040E-03, - -1.093787550E-06, 1.707351630E-10, -9.950219550E-15, - -1.665993440E+04, -8.382247410E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.83, - well_depth = 232.40, - rot_relax = 1.00), - note = "BDEA94" - ) - -species(name = "NCO", - atoms = " N:1 C:1 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 2.826930800E+00, 8.805168800E-03, - -8.386613400E-06, 4.801696400E-09, -1.331359500E-12, - 1.468247700E+04, 9.550464600E+00] ), - NASA( [ 1000.00, 6000.00], [ 5.152184500E+00, 2.305176100E-03, - -8.803315300E-07, 1.478909800E-10, -9.097799600E-15, - 1.400412300E+04, -2.544266000E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.83, - well_depth = 232.40, - rot_relax = 1.00), - note = "EA 93" - ) - -species(name = "N2", - atoms = " N:2 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 3.298677000E+00, 1.408240400E-03, - -3.963222000E-06, 5.641515000E-09, -2.444854000E-12, - -1.020899900E+03, 3.950372000E+00] ), - NASA( [ 1000.00, 5000.00], [ 2.926640000E+00, 1.487976800E-03, - -5.684760000E-07, 1.009703800E-10, -6.753351000E-15, - -9.227977000E+02, 5.980528000E+00] ) - ), - transport = gas_transport( - geom = "linear", - diam = 3.62, - well_depth = 97.53, - polar = 1.76, - rot_relax = 4.00), - note = "121286" - ) - -species(name = "AR", - atoms = " Ar:1 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, - 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - -7.453750000E+02, 4.366000000E+00] ), - NASA( [ 1000.00, 5000.00], [ 2.500000000E+00, 0.000000000E+00, - 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - -7.453750000E+02, 4.366000000E+00] ) - ), - transport = gas_transport( - geom = "atom", - diam = 3.33, - well_depth = 136.50), - note = "120186" - ) - -species(name = "C3H7", - atoms = " C:3 H:7 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 1.051551800E+00, 2.599198000E-02, - 2.380054000E-06, -1.960956900E-08, 9.373247000E-12, - 1.063186300E+04, 2.112255900E+01] ), - NASA( [ 1000.00, 5000.00], [ 7.702698700E+00, 1.604420300E-02, - -5.283322000E-06, 7.629859000E-10, -3.939228400E-14, - 8.298433600E+03, -1.548018000E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 4.98, - well_depth = 266.80, - rot_relax = 1.00), - note = "L 9/84" - ) - -species(name = "C3H8", - atoms = " C:3 H:8 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 9.335538100E-01, 2.642457900E-02, - 6.105972700E-06, -2.197749900E-08, 9.514925300E-12, - -1.395852000E+04, 1.920169100E+01] ), - NASA( [ 1000.00, 5000.00], [ 7.534136800E+00, 1.887223900E-02, - -6.271849100E-06, 9.147564900E-10, -4.783806900E-14, - -1.646751600E+04, -1.789234900E+01] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 4.98, - well_depth = 266.80, - rot_relax = 1.00), - note = "L 4/85" - ) - -species(name = "CH2CHO", - atoms = " O:1 H:3 C:2 ", - thermo = ( - NASA( [ 300.00, 1000.00], [ 3.409062000E+00, 1.073857400E-02, - 1.891492000E-06, -7.158583000E-09, 2.867385000E-12, - 1.521476600E+03, 9.558290000E+00] ), - NASA( [ 1000.00, 5000.00], [ 5.975670000E+00, 8.130591000E-03, - -2.743624000E-06, 4.070304000E-10, -2.176017000E-14, - 4.903218000E+02, -5.045251000E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.97, - well_depth = 436.00, - rot_relax = 2.00), - note = "SAND86" - ) - -species(name = "CH3CHO", - atoms = " C:2 H:4 O:1 ", - thermo = ( - NASA( [ 200.00, 1000.00], [ 4.729459500E+00, -3.193285800E-03, - 4.753492100E-05, -5.745861100E-08, 2.193111200E-11, - -2.157287800E+04, 4.103015900E+00] ), - NASA( [ 1000.00, 6000.00], [ 5.404110800E+00, 1.172305900E-02, - -4.226313700E-06, 6.837245100E-10, -4.098486300E-14, - -2.259312200E+04, -3.480791700E+00] ) - ), - transport = gas_transport( - geom = "nonlinear", - diam = 3.97, - well_depth = 436.00, - rot_relax = 2.00), - note = "L 8/88" - ) - - - -#------------------------------------------------------------------------------- -# Reaction data -#------------------------------------------------------------------------------- - -# Reaction 1 -three_body_reaction( "2 O + M <=> O2 + M", [1.20000E+17, -1, 0], - efficiencies = " AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 ") - -# Reaction 2 -three_body_reaction( "O + H + M <=> OH + M", [5.00000E+17, -1, 0], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 3 -reaction( "O + H2 <=> H + OH", [3.87000E+04, 2.7, 6260]) - -# Reaction 4 -reaction( "O + HO2 <=> OH + O2", [2.00000E+13, 0, 0]) - -# Reaction 5 -reaction( "O + H2O2 <=> OH + HO2", [9.63000E+06, 2, 4000]) - -# Reaction 6 -reaction( "O + CH <=> H + CO", [5.70000E+13, 0, 0]) - -# Reaction 7 -reaction( "O + CH2 <=> H + HCO", [8.00000E+13, 0, 0]) - -# Reaction 8 -reaction( "O + CH2(S) <=> H2 + CO", [1.50000E+13, 0, 0]) - -# Reaction 9 -reaction( "O + CH2(S) <=> H + HCO", [1.50000E+13, 0, 0]) - -# Reaction 10 -reaction( "O + CH3 <=> H + CH2O", [5.06000E+13, 0, 0]) - -# Reaction 11 -reaction( "O + CH4 <=> OH + CH3", [1.02000E+09, 1.5, 8600]) - -# Reaction 12 -falloff_reaction( "O + CO (+ M) <=> CO2 (+ M)", - kf = [1.80000E+10, 0, 2385], - kf0 = [6.02000E+14, 0, 3000], - efficiencies = " AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 ") - -# Reaction 13 -reaction( "O + HCO <=> OH + CO", [3.00000E+13, 0, 0]) - -# Reaction 14 -reaction( "O + HCO <=> H + CO2", [3.00000E+13, 0, 0]) - -# Reaction 15 -reaction( "O + CH2O <=> OH + HCO", [3.90000E+13, 0, 3540]) - -# Reaction 16 -reaction( "O + CH2OH <=> OH + CH2O", [1.00000E+13, 0, 0]) - -# Reaction 17 -reaction( "O + CH3O <=> OH + CH2O", [1.00000E+13, 0, 0]) - -# Reaction 18 -reaction( "O + CH3OH <=> OH + CH2OH", [3.88000E+05, 2.5, 3100]) - -# Reaction 19 -reaction( "O + CH3OH <=> OH + CH3O", [1.30000E+05, 2.5, 5000]) - -# Reaction 20 -reaction( "O + C2H <=> CH + CO", [5.00000E+13, 0, 0]) - -# Reaction 21 -reaction( "O + C2H2 <=> H + HCCO", [1.35000E+07, 2, 1900]) - -# Reaction 22 -reaction( "O + C2H2 <=> OH + C2H", [4.60000E+19, -1.41, 28950]) - -# Reaction 23 -reaction( "O + C2H2 <=> CO + CH2", [6.94000E+06, 2, 1900]) - -# Reaction 24 -reaction( "O + C2H3 <=> H + CH2CO", [3.00000E+13, 0, 0]) - -# Reaction 25 -reaction( "O + C2H4 <=> CH3 + HCO", [1.25000E+07, 1.83, 220]) - -# Reaction 26 -reaction( "O + C2H5 <=> CH3 + CH2O", [2.24000E+13, 0, 0]) - -# Reaction 27 -reaction( "O + C2H6 <=> OH + C2H5", [8.98000E+07, 1.92, 5690]) - -# Reaction 28 -reaction( "O + HCCO <=> H + 2 CO", [1.00000E+14, 0, 0]) - -# Reaction 29 -reaction( "O + CH2CO <=> OH + HCCO", [1.00000E+13, 0, 8000]) - -# Reaction 30 -reaction( "O + CH2CO <=> CH2 + CO2", [1.75000E+12, 0, 1350]) - -# Reaction 31 -reaction( "O2 + CO <=> O + CO2", [2.50000E+12, 0, 47800]) - -# Reaction 32 -reaction( "O2 + CH2O <=> HO2 + HCO", [1.00000E+14, 0, 40000]) - -# Reaction 33 -three_body_reaction( "H + O2 + M <=> HO2 + M", [2.80000E+18, -0.86, 0], - efficiencies = " AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 ") - -# Reaction 34 -reaction( "H + 2 O2 <=> HO2 + O2", [2.08000E+19, -1.24, 0]) - -# Reaction 35 -reaction( "H + O2 + H2O <=> HO2 + H2O", [1.12600E+19, -0.76, 0]) - -# Reaction 36 -reaction( "H + O2 + N2 <=> HO2 + N2", [2.60000E+19, -1.24, 0]) - -# Reaction 37 -reaction( "H + O2 + AR <=> HO2 + AR", [7.00000E+17, -0.8, 0]) - -# Reaction 38 -reaction( "H + O2 <=> O + OH", [2.65000E+16, -0.6707, 17041]) - -# Reaction 39 -three_body_reaction( "2 H + M <=> H2 + M", [1.00000E+18, -1, 0], - efficiencies = " AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 ") - -# Reaction 40 -reaction( "2 H + H2 <=> 2 H2", [9.00000E+16, -0.6, 0]) - -# Reaction 41 -reaction( "2 H + H2O <=> H2 + H2O", [6.00000E+19, -1.25, 0]) - -# Reaction 42 -reaction( "2 H + CO2 <=> H2 + CO2", [5.50000E+20, -2, 0]) - -# Reaction 43 -three_body_reaction( "H + OH + M <=> H2O + M", [2.20000E+22, -2, 0], - efficiencies = " AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 ") - -# Reaction 44 -reaction( "H + HO2 <=> O + H2O", [3.97000E+12, 0, 671]) - -# Reaction 45 -reaction( "H + HO2 <=> O2 + H2", [4.48000E+13, 0, 1068]) - -# Reaction 46 -reaction( "H + HO2 <=> 2 OH", [8.40000E+13, 0, 635]) - -# Reaction 47 -reaction( "H + H2O2 <=> HO2 + H2", [1.21000E+07, 2, 5200]) - -# Reaction 48 -reaction( "H + H2O2 <=> OH + H2O", [1.00000E+13, 0, 3600]) - -# Reaction 49 -reaction( "H + CH <=> C + H2", [1.65000E+14, 0, 0]) - -# Reaction 50 -falloff_reaction( "H + CH2 (+ M) <=> CH3 (+ M)", - kf = [6.00000E+14, 0, 0], - kf0 = [1.04000E+26, -2.76, 1600], - falloff = Troe(A = 0.562, T3 = 91, T1 = 5836, T2 = 8552), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 51 -reaction( "H + CH2(S) <=> CH + H2", [3.00000E+13, 0, 0]) - -# Reaction 52 -falloff_reaction( "H + CH3 (+ M) <=> CH4 (+ M)", - kf = [1.39000E+16, -0.534, 536], - kf0 = [2.62000E+33, -4.76, 2440], - falloff = Troe(A = 0.783, T3 = 74, T1 = 2941, T2 = 6964), - efficiencies = " AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 53 -reaction( "H + CH4 <=> CH3 + H2", [6.60000E+08, 1.62, 10840]) - -# Reaction 54 -falloff_reaction( "H + HCO (+ M) <=> CH2O (+ M)", - kf = [1.09000E+12, 0.48, -260], - kf0 = [2.47000E+24, -2.57, 425], - falloff = Troe(A = 0.7824, T3 = 271, T1 = 2755, T2 = 6570), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 55 -reaction( "H + HCO <=> H2 + CO", [7.34000E+13, 0, 0]) - -# Reaction 56 -falloff_reaction( "H + CH2O (+ M) <=> CH2OH (+ M)", - kf = [5.40000E+11, 0.454, 3600], - kf0 = [1.27000E+32, -4.82, 6530], - falloff = Troe(A = 0.7187, T3 = 103, T1 = 1291, T2 = 4160), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 57 -falloff_reaction( "H + CH2O (+ M) <=> CH3O (+ M)", - kf = [5.40000E+11, 0.454, 2600], - kf0 = [2.20000E+30, -4.8, 5560], - falloff = Troe(A = 0.758, T3 = 94, T1 = 1555, T2 = 4200), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 58 -reaction( "H + CH2O <=> HCO + H2", [5.74000E+07, 1.9, 2742]) - -# Reaction 59 -falloff_reaction( "H + CH2OH (+ M) <=> CH3OH (+ M)", - kf = [1.05500E+12, 0.5, 86], - kf0 = [4.36000E+31, -4.65, 5080], - falloff = Troe(A = 0.6, T3 = 100, T1 = 90000, T2 = 10000), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 60 -reaction( "H + CH2OH <=> H2 + CH2O", [2.00000E+13, 0, 0]) - -# Reaction 61 -reaction( "H + CH2OH <=> OH + CH3", [1.65000E+11, 0.65, -284]) - -# Reaction 62 -reaction( "H + CH2OH <=> CH2(S) + H2O", [3.28000E+13, -0.09, 610]) - -# Reaction 63 -falloff_reaction( "H + CH3O (+ M) <=> CH3OH (+ M)", - kf = [2.43000E+12, 0.515, 50], - kf0 = [4.66000E+41, -7.44, 14080], - falloff = Troe(A = 0.7, T3 = 100, T1 = 90000, T2 = 10000), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 64 -reaction( "H + CH3O <=> H + CH2OH", [4.15000E+07, 1.63, 1924]) - -# Reaction 65 -reaction( "H + CH3O <=> H2 + CH2O", [2.00000E+13, 0, 0]) - -# Reaction 66 -reaction( "H + CH3O <=> OH + CH3", [1.50000E+12, 0.5, -110]) - -# Reaction 67 -reaction( "H + CH3O <=> CH2(S) + H2O", [2.62000E+14, -0.23, 1070]) - -# Reaction 68 -reaction( "H + CH3OH <=> CH2OH + H2", [1.70000E+07, 2.1, 4870]) - -# Reaction 69 -reaction( "H + CH3OH <=> CH3O + H2", [4.20000E+06, 2.1, 4870]) - -# Reaction 70 -falloff_reaction( "H + C2H (+ M) <=> C2H2 (+ M)", - kf = [1.00000E+17, -1, 0], - kf0 = [3.75000E+33, -4.8, 1900], - falloff = Troe(A = 0.6464, T3 = 132, T1 = 1315, T2 = 5566), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 71 -falloff_reaction( "H + C2H2 (+ M) <=> C2H3 (+ M)", - kf = [5.60000E+12, 0, 2400], - kf0 = [3.80000E+40, -7.27, 7220], - falloff = Troe(A = 0.7507, T3 = 98.5, T1 = 1302, T2 = 4167), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 72 -falloff_reaction( "H + C2H3 (+ M) <=> C2H4 (+ M)", - kf = [6.08000E+12, 0.27, 280], - kf0 = [1.40000E+30, -3.86, 3320], - falloff = Troe(A = 0.782, T3 = 207.5, T1 = 2663, T2 = 6095), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 73 -reaction( "H + C2H3 <=> H2 + C2H2", [3.00000E+13, 0, 0]) - -# Reaction 74 -falloff_reaction( "H + C2H4 (+ M) <=> C2H5 (+ M)", - kf = [5.40000E+11, 0.454, 1820], - kf0 = [6.00000E+41, -7.62, 6970], - falloff = Troe(A = 0.9753, T3 = 210, T1 = 984, T2 = 4374), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 75 -reaction( "H + C2H4 <=> C2H3 + H2", [1.32500E+06, 2.53, 12240]) - -# Reaction 76 -falloff_reaction( "H + C2H5 (+ M) <=> C2H6 (+ M)", - kf = [5.21000E+17, -0.99, 1580], - kf0 = [1.99000E+41, -7.08, 6685], - falloff = Troe(A = 0.8422, T3 = 125, T1 = 2219, T2 = 6882), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 77 -reaction( "H + C2H5 <=> H2 + C2H4", [2.00000E+12, 0, 0]) - -# Reaction 78 -reaction( "H + C2H6 <=> C2H5 + H2", [1.15000E+08, 1.9, 7530]) - -# Reaction 79 -reaction( "H + HCCO <=> CH2(S) + CO", [1.00000E+14, 0, 0]) - -# Reaction 80 -reaction( "H + CH2CO <=> HCCO + H2", [5.00000E+13, 0, 8000]) - -# Reaction 81 -reaction( "H + CH2CO <=> CH3 + CO", [1.13000E+13, 0, 3428]) - -# Reaction 82 -reaction( "H + HCCOH <=> H + CH2CO", [1.00000E+13, 0, 0]) - -# Reaction 83 -falloff_reaction( "H2 + CO (+ M) <=> CH2O (+ M)", - kf = [4.30000E+07, 1.5, 79600], - kf0 = [5.07000E+27, -3.42, 84350], - falloff = Troe(A = 0.932, T3 = 197, T1 = 1540, T2 = 10300), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 84 -reaction( "OH + H2 <=> H + H2O", [2.16000E+08, 1.51, 3430]) - -# Reaction 85 -falloff_reaction( "2 OH (+ M) <=> H2O2 (+ M)", - kf = [7.40000E+13, -0.37, 0], - kf0 = [2.30000E+18, -0.9, -1700], - falloff = Troe(A = 0.7346, T3 = 94, T1 = 1756, T2 = 5182), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 86 -reaction( "2 OH <=> O + H2O", [3.57000E+04, 2.4, -2110]) - -# Reaction 87 -reaction( "OH + HO2 <=> O2 + H2O", [1.45000E+13, 0, -500], - options = 'duplicate') - -# Reaction 88 -reaction( "OH + H2O2 <=> HO2 + H2O", [2.00000E+12, 0, 427], - options = 'duplicate') - -# Reaction 89 -reaction( "OH + H2O2 <=> HO2 + H2O", [1.70000E+18, 0, 29410], - options = 'duplicate') - -# Reaction 90 -reaction( "OH + C <=> H + CO", [5.00000E+13, 0, 0]) - -# Reaction 91 -reaction( "OH + CH <=> H + HCO", [3.00000E+13, 0, 0]) - -# Reaction 92 -reaction( "OH + CH2 <=> H + CH2O", [2.00000E+13, 0, 0]) - -# Reaction 93 -reaction( "OH + CH2 <=> CH + H2O", [1.13000E+07, 2, 3000]) - -# Reaction 94 -reaction( "OH + CH2(S) <=> H + CH2O", [3.00000E+13, 0, 0]) - -# Reaction 95 -falloff_reaction( "OH + CH3 (+ M) <=> CH3OH (+ M)", - kf = [2.79000E+18, -1.43, 1330], - kf0 = [4.00000E+36, -5.92, 3140], - falloff = Troe(A = 0.412, T3 = 195, T1 = 5900, T2 = 6394), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 96 -reaction( "OH + CH3 <=> CH2 + H2O", [5.60000E+07, 1.6, 5420]) - -# Reaction 97 -reaction( "OH + CH3 <=> CH2(S) + H2O", [6.44000E+17, -1.34, 1417]) - -# Reaction 98 -reaction( "OH + CH4 <=> CH3 + H2O", [1.00000E+08, 1.6, 3120]) - -# Reaction 99 -reaction( "OH + CO <=> H + CO2", [4.76000E+07, 1.228, 70]) - -# Reaction 100 -reaction( "OH + HCO <=> H2O + CO", [5.00000E+13, 0, 0]) - -# Reaction 101 -reaction( "OH + CH2O <=> HCO + H2O", [3.43000E+09, 1.18, -447]) - -# Reaction 102 -reaction( "OH + CH2OH <=> H2O + CH2O", [5.00000E+12, 0, 0]) - -# Reaction 103 -reaction( "OH + CH3O <=> H2O + CH2O", [5.00000E+12, 0, 0]) - -# Reaction 104 -reaction( "OH + CH3OH <=> CH2OH + H2O", [1.44000E+06, 2, -840]) - -# Reaction 105 -reaction( "OH + CH3OH <=> CH3O + H2O", [6.30000E+06, 2, 1500]) - -# Reaction 106 -reaction( "OH + C2H <=> H + HCCO", [2.00000E+13, 0, 0]) - -# Reaction 107 -reaction( "OH + C2H2 <=> H + CH2CO", [2.18000E-04, 4.5, -1000]) - -# Reaction 108 -reaction( "OH + C2H2 <=> H + HCCOH", [5.04000E+05, 2.3, 13500]) - -# Reaction 109 -reaction( "OH + C2H2 <=> C2H + H2O", [3.37000E+07, 2, 14000]) - -# Reaction 110 -reaction( "OH + C2H2 <=> CH3 + CO", [4.83000E-04, 4, -2000]) - -# Reaction 111 -reaction( "OH + C2H3 <=> H2O + C2H2", [5.00000E+12, 0, 0]) - -# Reaction 112 -reaction( "OH + C2H4 <=> C2H3 + H2O", [3.60000E+06, 2, 2500]) - -# Reaction 113 -reaction( "OH + C2H6 <=> C2H5 + H2O", [3.54000E+06, 2.12, 870]) - -# Reaction 114 -reaction( "OH + CH2CO <=> HCCO + H2O", [7.50000E+12, 0, 2000]) - -# Reaction 115 -reaction( "2 HO2 <=> O2 + H2O2", [1.30000E+11, 0, -1630], - options = 'duplicate') - -# Reaction 116 -reaction( "2 HO2 <=> O2 + H2O2", [4.20000E+14, 0, 12000], - options = 'duplicate') - -# Reaction 117 -reaction( "HO2 + CH2 <=> OH + CH2O", [2.00000E+13, 0, 0]) - -# Reaction 118 -reaction( "HO2 + CH3 <=> O2 + CH4", [1.00000E+12, 0, 0]) - -# Reaction 119 -reaction( "HO2 + CH3 <=> OH + CH3O", [3.78000E+13, 0, 0]) - -# Reaction 120 -reaction( "HO2 + CO <=> OH + CO2", [1.50000E+14, 0, 23600]) - -# Reaction 121 -reaction( "HO2 + CH2O <=> HCO + H2O2", [5.60000E+06, 2, 12000]) - -# Reaction 122 -reaction( "C + O2 <=> O + CO", [5.80000E+13, 0, 576]) - -# Reaction 123 -reaction( "C + CH2 <=> H + C2H", [5.00000E+13, 0, 0]) - -# Reaction 124 -reaction( "C + CH3 <=> H + C2H2", [5.00000E+13, 0, 0]) - -# Reaction 125 -reaction( "CH + O2 <=> O + HCO", [6.71000E+13, 0, 0]) - -# Reaction 126 -reaction( "CH + H2 <=> H + CH2", [1.08000E+14, 0, 3110]) - -# Reaction 127 -reaction( "CH + H2O <=> H + CH2O", [5.71000E+12, 0, -755]) - -# Reaction 128 -reaction( "CH + CH2 <=> H + C2H2", [4.00000E+13, 0, 0]) - -# Reaction 129 -reaction( "CH + CH3 <=> H + C2H3", [3.00000E+13, 0, 0]) - -# Reaction 130 -reaction( "CH + CH4 <=> H + C2H4", [6.00000E+13, 0, 0]) - -# Reaction 131 -falloff_reaction( "CH + CO (+ M) <=> HCCO (+ M)", - kf = [5.00000E+13, 0, 0], - kf0 = [2.69000E+28, -3.74, 1936], - falloff = Troe(A = 0.5757, T3 = 237, T1 = 1652, T2 = 5069), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 132 -reaction( "CH + CO2 <=> HCO + CO", [1.90000E+14, 0, 15792]) - -# Reaction 133 -reaction( "CH + CH2O <=> H + CH2CO", [9.46000E+13, 0, -515]) - -# Reaction 134 -reaction( "CH + HCCO <=> CO + C2H2", [5.00000E+13, 0, 0]) - -# Reaction 135 -reaction( "CH2 + O2 => OH + H + CO", [5.00000E+12, 0, 1500]) - -# Reaction 136 -reaction( "CH2 + H2 <=> H + CH3", [5.00000E+05, 2, 7230]) - -# Reaction 137 -reaction( "2 CH2 <=> H2 + C2H2", [1.60000E+15, 0, 11944]) - -# Reaction 138 -reaction( "CH2 + CH3 <=> H + C2H4", [4.00000E+13, 0, 0]) - -# Reaction 139 -reaction( "CH2 + CH4 <=> 2 CH3", [2.46000E+06, 2, 8270]) - -# Reaction 140 -falloff_reaction( "CH2 + CO (+ M) <=> CH2CO (+ M)", - kf = [8.10000E+11, 0.5, 4510], - kf0 = [2.69000E+33, -5.11, 7095], - falloff = Troe(A = 0.5907, T3 = 275, T1 = 1226, T2 = 5185), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 141 -reaction( "CH2 + HCCO <=> C2H3 + CO", [3.00000E+13, 0, 0]) - -# Reaction 142 -reaction( "CH2(S) + N2 <=> CH2 + N2", [1.50000E+13, 0, 600]) - -# Reaction 143 -reaction( "CH2(S) + AR <=> CH2 + AR", [9.00000E+12, 0, 600]) - -# Reaction 144 -reaction( "CH2(S) + O2 <=> H + OH + CO", [2.80000E+13, 0, 0]) - -# Reaction 145 -reaction( "CH2(S) + O2 <=> CO + H2O", [1.20000E+13, 0, 0]) - -# Reaction 146 -reaction( "CH2(S) + H2 <=> CH3 + H", [7.00000E+13, 0, 0]) - -# Reaction 147 -falloff_reaction( "CH2(S) + H2O (+ M) <=> CH3OH (+ M)", - kf = [4.82000E+17, -1.16, 1145], - kf0 = [1.88000E+38, -6.36, 5040], - falloff = Troe(A = 0.6027, T3 = 208, T1 = 3922, T2 = 10180), - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 148 -reaction( "CH2(S) + H2O <=> CH2 + H2O", [3.00000E+13, 0, 0]) - -# Reaction 149 -reaction( "CH2(S) + CH3 <=> H + C2H4", [1.20000E+13, 0, -570]) - -# Reaction 150 -reaction( "CH2(S) + CH4 <=> 2 CH3", [1.60000E+13, 0, -570]) - -# Reaction 151 -reaction( "CH2(S) + CO <=> CH2 + CO", [9.00000E+12, 0, 0]) - -# Reaction 152 -reaction( "CH2(S) + CO2 <=> CH2 + CO2", [7.00000E+12, 0, 0]) - -# Reaction 153 -reaction( "CH2(S) + CO2 <=> CO + CH2O", [1.40000E+13, 0, 0]) - -# Reaction 154 -reaction( "CH2(S) + C2H6 <=> CH3 + C2H5", [4.00000E+13, 0, -550]) - -# Reaction 155 -reaction( "CH3 + O2 <=> O + CH3O", [3.56000E+13, 0, 30480]) - -# Reaction 156 -reaction( "CH3 + O2 <=> OH + CH2O", [2.31000E+12, 0, 20315]) - -# Reaction 157 -reaction( "CH3 + H2O2 <=> HO2 + CH4", [2.45000E+04, 2.47, 5180]) - -# Reaction 158 -falloff_reaction( "2 CH3 (+ M) <=> C2H6 (+ M)", - kf = [6.77000E+16, -1.18, 654], - kf0 = [3.40000E+41, -7.03, 2762], - falloff = Troe(A = 0.619, T3 = 73.2, T1 = 1180, T2 = 9999), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 159 -reaction( "2 CH3 <=> H + C2H5", [6.84000E+12, 0.1, 10600]) - -# Reaction 160 -reaction( "CH3 + HCO <=> CH4 + CO", [2.64800E+13, 0, 0]) - -# Reaction 161 -reaction( "CH3 + CH2O <=> HCO + CH4", [3.32000E+03, 2.81, 5860]) - -# Reaction 162 -reaction( "CH3 + CH3OH <=> CH2OH + CH4", [3.00000E+07, 1.5, 9940]) - -# Reaction 163 -reaction( "CH3 + CH3OH <=> CH3O + CH4", [1.00000E+07, 1.5, 9940]) - -# Reaction 164 -reaction( "CH3 + C2H4 <=> C2H3 + CH4", [2.27000E+05, 2, 9200]) - -# Reaction 165 -reaction( "CH3 + C2H6 <=> C2H5 + CH4", [6.14000E+06, 1.74, 10450]) - -# Reaction 166 -reaction( "HCO + H2O <=> H + CO + H2O", [1.50000E+18, -1, 17000]) - -# Reaction 167 -three_body_reaction( "HCO + M <=> H + CO + M", [1.87000E+17, -1, 17000], - efficiencies = " C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 ") - -# Reaction 168 -reaction( "HCO + O2 <=> HO2 + CO", [1.34500E+13, 0, 400]) - -# Reaction 169 -reaction( "CH2OH + O2 <=> HO2 + CH2O", [1.80000E+13, 0, 900]) - -# Reaction 170 -reaction( "CH3O + O2 <=> HO2 + CH2O", [4.28000E-13, 7.6, -3530]) - -# Reaction 171 -reaction( "C2H + O2 <=> HCO + CO", [1.00000E+13, 0, -755]) - -# Reaction 172 -reaction( "C2H + H2 <=> H + C2H2", [5.68000E+10, 0.9, 1993]) - -# Reaction 173 -reaction( "C2H3 + O2 <=> HCO + CH2O", [4.58000E+16, -1.39, 1015]) - -# Reaction 174 -falloff_reaction( "C2H4 (+ M) <=> H2 + C2H2 (+ M)", - kf = [8.00000E+12, 0.44, 86770], - kf0 = [1.58000E+51, -9.3, 97800], - falloff = Troe(A = 0.7345, T3 = 180, T1 = 1035, T2 = 5417), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 175 -reaction( "C2H5 + O2 <=> HO2 + C2H4", [8.40000E+11, 0, 3875]) - -# Reaction 176 -reaction( "HCCO + O2 <=> OH + 2 CO", [3.20000E+12, 0, 854]) - -# Reaction 177 -reaction( "2 HCCO <=> 2 CO + C2H2", [1.00000E+13, 0, 0]) - -# Reaction 178 -reaction( "N + NO <=> N2 + O", [2.70000E+13, 0, 355]) - -# Reaction 179 -reaction( "N + O2 <=> NO + O", [9.00000E+09, 1, 6500]) - -# Reaction 180 -reaction( "N + OH <=> NO + H", [3.36000E+13, 0, 385]) - -# Reaction 181 -reaction( "N2O + O <=> N2 + O2", [1.40000E+12, 0, 10810]) - -# Reaction 182 -reaction( "N2O + O <=> 2 NO", [2.90000E+13, 0, 23150]) - -# Reaction 183 -reaction( "N2O + H <=> N2 + OH", [3.87000E+14, 0, 18880]) - -# Reaction 184 -reaction( "N2O + OH <=> N2 + HO2", [2.00000E+12, 0, 21060]) - -# Reaction 185 -falloff_reaction( "N2O (+ M) <=> N2 + O (+ M)", - kf = [7.91000E+10, 0, 56020], - kf0 = [6.37000E+14, 0, 56640], - efficiencies = " AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 186 -reaction( "HO2 + NO <=> NO2 + OH", [2.11000E+12, 0, -480]) - -# Reaction 187 -three_body_reaction( "NO + O + M <=> NO2 + M", [1.06000E+20, -1.41, 0], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 188 -reaction( "NO2 + O <=> NO + O2", [3.90000E+12, 0, -240]) - -# Reaction 189 -reaction( "NO2 + H <=> NO + OH", [1.32000E+14, 0, 360]) - -# Reaction 190 -reaction( "NH + O <=> NO + H", [4.00000E+13, 0, 0]) - -# Reaction 191 -reaction( "NH + H <=> N + H2", [3.20000E+13, 0, 330]) - -# Reaction 192 -reaction( "NH + OH <=> HNO + H", [2.00000E+13, 0, 0]) - -# Reaction 193 -reaction( "NH + OH <=> N + H2O", [2.00000E+09, 1.2, 0]) - -# Reaction 194 -reaction( "NH + O2 <=> HNO + O", [4.61000E+05, 2, 6500]) - -# Reaction 195 -reaction( "NH + O2 <=> NO + OH", [1.28000E+06, 1.5, 100]) - -# Reaction 196 -reaction( "NH + N <=> N2 + H", [1.50000E+13, 0, 0]) - -# Reaction 197 -reaction( "NH + H2O <=> HNO + H2", [2.00000E+13, 0, 13850]) - -# Reaction 198 -reaction( "NH + NO <=> N2 + OH", [2.16000E+13, -0.23, 0]) - -# Reaction 199 -reaction( "NH + NO <=> N2O + H", [3.65000E+14, -0.45, 0]) - -# Reaction 200 -reaction( "NH2 + O <=> OH + NH", [3.00000E+12, 0, 0]) - -# Reaction 201 -reaction( "NH2 + O <=> H + HNO", [3.90000E+13, 0, 0]) - -# Reaction 202 -reaction( "NH2 + H <=> NH + H2", [4.00000E+13, 0, 3650]) - -# Reaction 203 -reaction( "NH2 + OH <=> NH + H2O", [9.00000E+07, 1.5, -460]) - -# Reaction 204 -reaction( "NNH <=> N2 + H", [3.30000E+08, 0, 0]) - -# Reaction 205 -three_body_reaction( "NNH + M <=> N2 + H + M", [1.30000E+14, -0.11, 4980], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 206 -reaction( "NNH + O2 <=> HO2 + N2", [5.00000E+12, 0, 0]) - -# Reaction 207 -reaction( "NNH + O <=> OH + N2", [2.50000E+13, 0, 0]) - -# Reaction 208 -reaction( "NNH + O <=> NH + NO", [7.00000E+13, 0, 0]) - -# Reaction 209 -reaction( "NNH + H <=> H2 + N2", [5.00000E+13, 0, 0]) - -# Reaction 210 -reaction( "NNH + OH <=> H2O + N2", [2.00000E+13, 0, 0]) - -# Reaction 211 -reaction( "NNH + CH3 <=> CH4 + N2", [2.50000E+13, 0, 0]) - -# Reaction 212 -three_body_reaction( "H + NO + M <=> HNO + M", [4.48000E+19, -1.32, 740], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 213 -reaction( "HNO + O <=> NO + OH", [2.50000E+13, 0, 0]) - -# Reaction 214 -reaction( "HNO + H <=> H2 + NO", [9.00000E+11, 0.72, 660]) - -# Reaction 215 -reaction( "HNO + OH <=> NO + H2O", [1.30000E+07, 1.9, -950]) - -# Reaction 216 -reaction( "HNO + O2 <=> HO2 + NO", [1.00000E+13, 0, 13000]) - -# Reaction 217 -reaction( "CN + O <=> CO + N", [7.70000E+13, 0, 0]) - -# Reaction 218 -reaction( "CN + OH <=> NCO + H", [4.00000E+13, 0, 0]) - -# Reaction 219 -reaction( "CN + H2O <=> HCN + OH", [8.00000E+12, 0, 7460]) - -# Reaction 220 -reaction( "CN + O2 <=> NCO + O", [6.14000E+12, 0, -440]) - -# Reaction 221 -reaction( "CN + H2 <=> HCN + H", [2.95000E+05, 2.45, 2240]) - -# Reaction 222 -reaction( "NCO + O <=> NO + CO", [2.35000E+13, 0, 0]) - -# Reaction 223 -reaction( "NCO + H <=> NH + CO", [5.40000E+13, 0, 0]) - -# Reaction 224 -reaction( "NCO + OH <=> NO + H + CO", [2.50000E+12, 0, 0]) - -# Reaction 225 -reaction( "NCO + N <=> N2 + CO", [2.00000E+13, 0, 0]) - -# Reaction 226 -reaction( "NCO + O2 <=> NO + CO2", [2.00000E+12, 0, 20000]) - -# Reaction 227 -three_body_reaction( "NCO + M <=> N + CO + M", [3.10000E+14, 0, 54050], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 228 -reaction( "NCO + NO <=> N2O + CO", [1.90000E+17, -1.52, 740]) - -# Reaction 229 -reaction( "NCO + NO <=> N2 + CO2", [3.80000E+18, -2, 800]) - -# Reaction 230 -three_body_reaction( "HCN + M <=> H + CN + M", [1.04000E+29, -3.3, 126600], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 231 -reaction( "HCN + O <=> NCO + H", [2.03000E+04, 2.64, 4980]) - -# Reaction 232 -reaction( "HCN + O <=> NH + CO", [5.07000E+03, 2.64, 4980]) - -# Reaction 233 -reaction( "HCN + O <=> CN + OH", [3.91000E+09, 1.58, 26600]) - -# Reaction 234 -reaction( "HCN + OH <=> HOCN + H", [1.10000E+06, 2.03, 13370]) - -# Reaction 235 -reaction( "HCN + OH <=> HNCO + H", [4.40000E+03, 2.26, 6400]) - -# Reaction 236 -reaction( "HCN + OH <=> NH2 + CO", [1.60000E+02, 2.56, 9000]) - -# Reaction 237 -falloff_reaction( "H + HCN (+ M) <=> H2CN (+ M)", - kf = [3.30000E+13, 0, 0], - kf0 = [1.40000E+26, -3.4, 1900], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 238 -reaction( "H2CN + N <=> N2 + CH2", [6.00000E+13, 0, 400]) - -# Reaction 239 -reaction( "C + N2 <=> CN + N", [6.30000E+13, 0, 46020]) - -# Reaction 240 -reaction( "CH + N2 <=> HCN + N", [3.12000E+09, 0.88, 20130]) - -# Reaction 241 -falloff_reaction( "CH + N2 (+ M) <=> HCNN (+ M)", - kf = [3.10000E+12, 0.15, 0], - kf0 = [1.30000E+25, -3.16, 740], - falloff = Troe(A = 0.667, T3 = 235, T1 = 2117, T2 = 4536), - efficiencies = " AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 242 -reaction( "CH2 + N2 <=> HCN + NH", [1.00000E+13, 0, 74000]) - -# Reaction 243 -reaction( "CH2(S) + N2 <=> NH + HCN", [1.00000E+11, 0, 65000]) - -# Reaction 244 -reaction( "C + NO <=> CN + O", [1.90000E+13, 0, 0]) - -# Reaction 245 -reaction( "C + NO <=> CO + N", [2.90000E+13, 0, 0]) - -# Reaction 246 -reaction( "CH + NO <=> HCN + O", [4.10000E+13, 0, 0]) - -# Reaction 247 -reaction( "CH + NO <=> H + NCO", [1.62000E+13, 0, 0]) - -# Reaction 248 -reaction( "CH + NO <=> N + HCO", [2.46000E+13, 0, 0]) - -# Reaction 249 -reaction( "CH2 + NO <=> H + HNCO", [3.10000E+17, -1.38, 1270]) - -# Reaction 250 -reaction( "CH2 + NO <=> OH + HCN", [2.90000E+14, -0.69, 760]) - -# Reaction 251 -reaction( "CH2 + NO <=> H + HCNO", [3.80000E+13, -0.36, 580]) - -# Reaction 252 -reaction( "CH2(S) + NO <=> H + HNCO", [3.10000E+17, -1.38, 1270]) - -# Reaction 253 -reaction( "CH2(S) + NO <=> OH + HCN", [2.90000E+14, -0.69, 760]) - -# Reaction 254 -reaction( "CH2(S) + NO <=> H + HCNO", [3.80000E+13, -0.36, 580]) - -# Reaction 255 -reaction( "CH3 + NO <=> HCN + H2O", [9.60000E+13, 0, 28800]) - -# Reaction 256 -reaction( "CH3 + NO <=> H2CN + OH", [1.00000E+12, 0, 21750]) - -# Reaction 257 -reaction( "HCNN + O <=> CO + H + N2", [2.20000E+13, 0, 0]) - -# Reaction 258 -reaction( "HCNN + O <=> HCN + NO", [2.00000E+12, 0, 0]) - -# Reaction 259 -reaction( "HCNN + O2 <=> O + HCO + N2", [1.20000E+13, 0, 0]) - -# Reaction 260 -reaction( "HCNN + OH <=> H + HCO + N2", [1.20000E+13, 0, 0]) - -# Reaction 261 -reaction( "HCNN + H <=> CH2 + N2", [1.00000E+14, 0, 0]) - -# Reaction 262 -reaction( "HNCO + O <=> NH + CO2", [9.80000E+07, 1.41, 8500]) - -# Reaction 263 -reaction( "HNCO + O <=> HNO + CO", [1.50000E+08, 1.57, 44000]) - -# Reaction 264 -reaction( "HNCO + O <=> NCO + OH", [2.20000E+06, 2.11, 11400]) - -# Reaction 265 -reaction( "HNCO + H <=> NH2 + CO", [2.25000E+07, 1.7, 3800]) - -# Reaction 266 -reaction( "HNCO + H <=> H2 + NCO", [1.05000E+05, 2.5, 13300]) - -# Reaction 267 -reaction( "HNCO + OH <=> NCO + H2O", [3.30000E+07, 1.5, 3600]) - -# Reaction 268 -reaction( "HNCO + OH <=> NH2 + CO2", [3.30000E+06, 1.5, 3600]) - -# Reaction 269 -three_body_reaction( "HNCO + M <=> NH + CO + M", [1.18000E+16, 0, 84720], - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 270 -reaction( "HCNO + H <=> H + HNCO", [2.10000E+15, -0.69, 2850]) - -# Reaction 271 -reaction( "HCNO + H <=> OH + HCN", [2.70000E+11, 0.18, 2120]) - -# Reaction 272 -reaction( "HCNO + H <=> NH2 + CO", [1.70000E+14, -0.75, 2890]) - -# Reaction 273 -reaction( "HOCN + H <=> H + HNCO", [2.00000E+07, 2, 2000]) - -# Reaction 274 -reaction( "HCCO + NO <=> HCNO + CO", [9.00000E+12, 0, 0]) - -# Reaction 275 -reaction( "CH3 + N <=> H2CN + H", [6.10000E+14, -0.31, 290]) - -# Reaction 276 -reaction( "CH3 + N <=> HCN + H2", [3.70000E+12, 0.15, -90]) - -# Reaction 277 -reaction( "NH3 + H <=> NH2 + H2", [5.40000E+05, 2.4, 9915]) - -# Reaction 278 -reaction( "NH3 + OH <=> NH2 + H2O", [5.00000E+07, 1.6, 955]) - -# Reaction 279 -reaction( "NH3 + O <=> NH2 + OH", [9.40000E+06, 1.94, 6460]) - -# Reaction 280 -reaction( "NH + CO2 <=> HNO + CO", [1.00000E+13, 0, 14350]) - -# Reaction 281 -reaction( "CN + NO2 <=> NCO + NO", [6.16000E+15, -0.752, 345]) - -# Reaction 282 -reaction( "NCO + NO2 <=> N2O + CO2", [3.25000E+12, 0, -705]) - -# Reaction 283 -reaction( "N + CO2 <=> NO + CO", [3.00000E+12, 0, 11300]) - -# Reaction 284 -reaction( "O + CH3 => H + H2 + CO", [3.37000E+13, 0, 0]) - -# Reaction 285 -reaction( "O + C2H4 <=> H + CH2CHO", [6.70000E+06, 1.83, 220]) - -# Reaction 286 -reaction( "O + C2H5 <=> H + CH3CHO", [1.09600E+14, 0, 0]) - -# Reaction 287 -reaction( "OH + HO2 <=> O2 + H2O", [5.00000E+15, 0, 17330], - options = 'duplicate') - -# Reaction 288 -reaction( "OH + CH3 => H2 + CH2O", [8.00000E+09, 0.5, -1755]) - -# Reaction 289 -falloff_reaction( "CH + H2 (+ M) <=> CH3 (+ M)", - kf = [1.97000E+12, 0.43, -370], - kf0 = [4.82000E+25, -2.8, 590], - falloff = Troe(A = 0.578, T3 = 122, T1 = 2535, T2 = 9365), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 290 -reaction( "CH2 + O2 => 2 H + CO2", [5.80000E+12, 0, 1500]) - -# Reaction 291 -reaction( "CH2 + O2 <=> O + CH2O", [2.40000E+12, 0, 1500]) - -# Reaction 292 -reaction( "CH2 + CH2 => 2 H + C2H2", [2.00000E+14, 0, 10989]) - -# Reaction 293 -reaction( "CH2(S) + H2O => H2 + CH2O", [6.82000E+10, 0.25, -935]) - -# Reaction 294 -reaction( "C2H3 + O2 <=> O + CH2CHO", [3.03000E+11, 0.29, 11]) - -# Reaction 295 -reaction( "C2H3 + O2 <=> HO2 + C2H2", [1.33700E+06, 1.61, -384]) - -# Reaction 296 -reaction( "O + CH3CHO <=> OH + CH2CHO", [5.84000E+12, 0, 1808]) - -# Reaction 297 -reaction( "O + CH3CHO => OH + CH3 + CO", [5.84000E+12, 0, 1808]) - -# Reaction 298 -reaction( "O2 + CH3CHO => HO2 + CH3 + CO", [3.01000E+13, 0, 39150]) - -# Reaction 299 -reaction( "H + CH3CHO <=> CH2CHO + H2", [2.05000E+09, 1.16, 2405]) - -# Reaction 300 -reaction( "H + CH3CHO => CH3 + H2 + CO", [2.05000E+09, 1.16, 2405]) - -# Reaction 301 -reaction( "OH + CH3CHO => CH3 + H2O + CO", [2.34300E+10, 0.73, -1113]) - -# Reaction 302 -reaction( "HO2 + CH3CHO => CH3 + H2O2 + CO", [3.01000E+12, 0, 11923]) - -# Reaction 303 -reaction( "CH3 + CH3CHO => CH3 + CH4 + CO", [2.72000E+06, 1.77, 5920]) - -# Reaction 304 -falloff_reaction( "H + CH2CO (+ M) <=> CH2CHO (+ M)", - kf = [4.86500E+11, 0.422, -1755], - kf0 = [1.01200E+42, -7.63, 3854], - falloff = Troe(A = 0.465, T3 = 201, T1 = 1773, T2 = 5333), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 305 -reaction( "O + CH2CHO => H + CH2 + CO2", [1.50000E+14, 0, 0]) - -# Reaction 306 -reaction( "O2 + CH2CHO => OH + CO + CH2O", [1.81000E+10, 0, 0]) - -# Reaction 307 -reaction( "O2 + CH2CHO => OH + 2 HCO", [2.35000E+10, 0, 0]) - -# Reaction 308 -reaction( "H + CH2CHO <=> CH3 + HCO", [2.20000E+13, 0, 0]) - -# Reaction 309 -reaction( "H + CH2CHO <=> CH2CO + H2", [1.10000E+13, 0, 0]) - -# Reaction 310 -reaction( "OH + CH2CHO <=> H2O + CH2CO", [1.20000E+13, 0, 0]) - -# Reaction 311 -reaction( "OH + CH2CHO <=> HCO + CH2OH", [3.01000E+13, 0, 0]) - -# Reaction 312 -falloff_reaction( "CH3 + C2H5 (+ M) <=> C3H8 (+ M)", - kf = [9.43000E+12, 0, 0], - kf0 = [2.71000E+74, -16.82, 13065], - falloff = Troe(A = 0.1527, T3 = 291, T1 = 2742, T2 = 7748), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 313 -reaction( "O + C3H8 <=> OH + C3H7", [1.93000E+05, 2.68, 3716]) - -# Reaction 314 -reaction( "H + C3H8 <=> C3H7 + H2", [1.32000E+06, 2.54, 6756]) - -# Reaction 315 -reaction( "OH + C3H8 <=> C3H7 + H2O", [3.16000E+07, 1.8, 934]) - -# Reaction 316 -reaction( "C3H7 + H2O2 <=> HO2 + C3H8", [3.78000E+02, 2.72, 1500]) - -# Reaction 317 -reaction( "CH3 + C3H8 <=> C3H7 + CH4", [9.03000E-01, 3.65, 7154]) - -# Reaction 318 -falloff_reaction( "CH3 + C2H4 (+ M) <=> C3H7 (+ M)", - kf = [2.55000E+06, 1.6, 5700], - kf0 = [3.00000E+63, -14.6, 18170], - falloff = Troe(A = 0.1894, T3 = 277, T1 = 8748, T2 = 7891), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 319 -reaction( "O + C3H7 <=> C2H5 + CH2O", [9.64000E+13, 0, 0]) - -# Reaction 320 -falloff_reaction( "H + C3H7 (+ M) <=> C3H8 (+ M)", - kf = [3.61300E+13, 0, 0], - kf0 = [4.42000E+61, -13.545, 11357], - falloff = Troe(A = 0.315, T3 = 369, T1 = 3285, T2 = 6667), - efficiencies = " AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 ") - -# Reaction 321 -reaction( "H + C3H7 <=> CH3 + C2H5", [4.06000E+06, 2.19, 890]) - -# Reaction 322 -reaction( "OH + C3H7 <=> C2H5 + CH2OH", [2.41000E+13, 0, 0]) - -# Reaction 323 -reaction( "HO2 + C3H7 <=> O2 + C3H8", [2.55000E+10, 0.255, -943]) - -# Reaction 324 -reaction( "HO2 + C3H7 => OH + C2H5 + CH2O", [2.41000E+13, 0, 0]) - -# Reaction 325 -reaction( "CH3 + C3H7 <=> 2 C2H5", [1.92700E+13, -0.32, 0])