300 1 H2:1.0 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 1 H2:1.0 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 TPIS78 H:2 2.344331120E+000, 7.980520750E-003, -1.947815100E-005, 2.015720940E-008, -7.376117610E-012, -9.179351730E+002, 6.830102380E-001 3.337279200E+000, -4.940247310E-005, 4.994567780E-007, -1.795663940E-010, 2.002553760E-014, -9.501589220E+002, -3.205023310E+000 linear 3.800000000E+001 2.920000000E+000 7.900000000E-001 2.800000000E+002 L 7/88 H:1 2.500000000E+000, 7.053328190E-013, -1.995919640E-015, 2.300816320E-018, -9.277323320E-022, 2.547365990E+004, -4.466828530E-001 2.500000010E+000, -2.308429730E-011, 1.615619480E-014, -4.735152350E-018, 4.981973570E-022, 2.547365990E+004, -4.466829140E-001 atom 1.450000000E+002 2.050000000E+000 L 1/90 O:1 3.168267100E+000, -3.279318840E-003, 6.643063960E-006, -6.128066240E-009, 2.112659710E-012, 2.912225920E+004, 2.051933460E+000 2.569420780E+000, -8.597411370E-005, 4.194845890E-008, -1.001777990E-011, 1.228336910E-015, 2.921757910E+004, 4.784338640E+000 atom 8.000000000E+001 2.750000000E+000 TPIS89 O:2 3.782456360E+000, -2.996734160E-003, 9.847302010E-006, -9.681295090E-009, 3.243728370E-012, -1.063943560E+003, 3.657675730E+000 3.282537840E+000, 1.483087540E-003, -7.579666690E-007, 2.094705550E-010, -2.167177940E-014, -1.088457720E+003, 5.453231290E+000 linear 1.074000000E+002 3.458000000E+000 1.600000000E+000 3.800000000E+000 RUS 78 O:1 H:1 3.992015430E+000, -2.401317520E-003, 4.617938410E-006, -3.881133330E-009, 1.364114700E-012, 3.615080560E+003, -1.039254580E-001 3.092887670E+000, 5.484297160E-004, 1.265052280E-007, -8.794615560E-011, 1.174123760E-014, 3.858657000E+003, 4.476696100E+000 linear 8.000000000E+001 2.750000000E+000 L 8/89 H:2 O:1 4.198640560E+000, -2.036434100E-003, 6.520402110E-006, -5.487970620E-009, 1.771978170E-012, -3.029372670E+004, -8.490322080E-001 3.033992490E+000, 2.176918040E-003, -1.640725180E-007, -9.704198700E-011, 1.682009920E-014, -3.000429710E+004, 4.966770100E+000 nonlinear 5.724000000E+002 2.605000000E+000 1.844000000E+000 4.000000000E+000 L 5/89 H:1 O:2 4.301798010E+000, -4.749120510E-003, 2.115828910E-005, -2.427638940E-008, 9.292251240E-012, 2.948080400E+002, 3.716662450E+000 4.017210900E+000, 2.239820130E-003, -6.336581500E-007, 1.142463700E-010, -1.079085350E-014, 1.118567130E+002, 3.785102150E+000 nonlinear 1.074000000E+002 3.458000000E+000 1.000000000E+000 L 7/88 H:2 O:2 4.276112690E+000, -5.428224170E-004, 1.673357010E-005, -2.157708130E-008, 8.624543630E-012, -1.770258210E+004, 3.435050740E+000 4.165002850E+000, 4.908316940E-003, -1.901392250E-006, 3.711859860E-010, -2.879083050E-014, -1.786178770E+004, 2.916156620E+000 nonlinear 1.074000000E+002 3.458000000E+000 3.800000000E+000 L11/88 C:1 2.554239550E+000, -3.215377240E-004, 7.337922450E-007, -7.322348890E-010, 2.665214460E-013, 8.544388320E+004, 4.531308480E+000 2.492668880E+000, 4.798892840E-005, -7.243350200E-008, 3.742910290E-011, -4.872778930E-015, 8.545129530E+004, 4.801503730E+000 atom 7.140000000E+001 3.298000000E+000 TPIS79 C:1 H:1 3.489816650E+000, 3.238355410E-004, -1.688990650E-006, 3.162173270E-009, -1.406090670E-012, 7.079729340E+004, 2.084011080E+000 2.878464730E+000, 9.709136810E-004, 1.444456550E-007, -1.306878490E-010, 1.760793830E-014, 7.101243640E+004, 5.484979990E+000 linear 8.000000000E+001 2.750000000E+000 L S/93 C:1 H:2 3.762678670E+000, 9.688721430E-004, 2.794898410E-006, -3.850911530E-009, 1.687417190E-012, 4.600404010E+004, 1.562531850E+000 2.874101130E+000, 3.656392920E-003, -1.408945970E-006, 2.601795490E-010, -1.877275670E-014, 4.626360400E+004, 6.171193240E+000 linear 1.440000000E+002 3.800000000E+000 L S/93 C:1 H:2 4.198604110E+000, -2.366614190E-003, 8.232962200E-006, -6.688159810E-009, 1.943147370E-012, 5.049681630E+004, -7.691189670E-001 2.292038420E+000, 4.655886370E-003, -2.011919470E-006, 4.179060000E-010, -3.397163650E-014, 5.092599970E+004, 8.626501690E+000 linear 1.440000000E+002 3.800000000E+000 L11/89 C:1 H:3 3.673590400E+000, 2.010951750E-003, 5.730218560E-006, -6.871174250E-009, 2.543857340E-012, 1.644499880E+004, 1.604564330E+000 2.285717720E+000, 7.239900370E-003, -2.987143480E-006, 5.956846440E-010, -4.671543940E-014, 1.677558430E+004, 8.480071790E+000 linear 1.440000000E+002 3.800000000E+000 L 8/88 C:1 H:4 5.149876130E+000, -1.367097880E-002, 4.918005990E-005, -4.847430260E-008, 1.666939560E-011, -1.024664760E+004, -4.641303760E+000 7.485149500E-002, 1.339094670E-002, -5.732858090E-006, 1.222925350E-009, -1.018152300E-013, -9.468344590E+003, 1.843731800E+001 nonlinear 1.414000000E+002 3.746000000E+000 2.600000000E+000 1.300000000E+001 TPIS79 C:1 O:1 3.579533470E+000, -6.103536800E-004, 1.016814330E-006, 9.070058840E-010, -9.044244990E-013, -1.434408600E+004, 3.508409280E+000 2.715185610E+000, 2.062527430E-003, -9.988257710E-007, 2.300530080E-010, -2.036477160E-014, -1.415187240E+004, 7.818687720E+000 linear 9.810000000E+001 3.650000000E+000 1.950000000E+000 1.800000000E+000 L 7/88 C:1 O:2 2.356773520E+000, 8.984596770E-003, -7.123562690E-006, 2.459190220E-009, -1.436995480E-013, -4.837196970E+004, 9.901052220E+000 3.857460290E+000, 4.414370260E-003, -2.214814040E-006, 5.234901880E-010, -4.720841640E-014, -4.875916600E+004, 2.271638060E+000 linear 2.440000000E+002 3.763000000E+000 2.650000000E+000 2.100000000E+000 L12/89 H:1 C:1 O:1 4.221185840E+000, -3.243925320E-003, 1.377994460E-005, -1.331440930E-008, 4.337688650E-012, 3.839564960E+003, 3.394372430E+000 2.772174380E+000, 4.956955260E-003, -2.484456130E-006, 5.891617780E-010, -5.335087110E-014, 4.011918150E+003, 9.798344920E+000 nonlinear 4.980000000E+002 3.590000000E+000 L 8/88 H:2 C:1 O:1 4.793723150E+000, -9.908333690E-003, 3.732200080E-005, -3.792852610E-008, 1.317726520E-011, -1.430895670E+004, 6.028129000E-001 1.760690080E+000, 9.200000820E-003, -4.422588130E-006, 1.006412120E-009, -8.838556400E-014, -1.399583230E+004, 1.365632300E+001 nonlinear 4.980000000E+002 3.590000000E+000 2.000000000E+000 GUNL93 C:1 H:3 O:1 3.863889180E+000, 5.596723040E-003, 5.932717910E-006, -1.045320120E-008, 4.369672780E-012, -3.193913670E+003, 5.473022430E+000 3.692665690E+000, 8.645767970E-003, -3.751011200E-006, 7.872346360E-010, -6.485542010E-014, -3.242506270E+003, 5.810432150E+000 nonlinear 4.170000000E+002 3.690000000E+000 1.700000000E+000 2.000000000E+000 121686 C:1 H:3 O:1 2.106204000E+000, 7.216595000E-003, 5.338472000E-006, -7.377636000E-009, 2.075610000E-012, 9.786011000E+002, 1.315217700E+001 3.770799000E+000, 7.871497000E-003, -2.656384000E-006, 3.944431000E-010, -2.112616000E-014, 1.278325200E+002, 2.929575000E+000 nonlinear 4.170000000E+002 3.690000000E+000 1.700000000E+000 2.000000000E+000 L 8/88 C:1 H:4 O:1 5.715395820E+000, -1.523091290E-002, 6.524411550E-005, -7.108068890E-008, 2.613526980E-011, -2.564276560E+004, -1.504098230E+000 1.789707910E+000, 1.409382920E-002, -6.365008350E-006, 1.381710850E-009, -1.170602200E-013, -2.537487470E+004, 1.450236230E+001 nonlinear 4.818000000E+002 3.626000000E+000 1.000000000E+000 L 1/91 C:2 H:1 2.889657330E+000, 1.340996110E-002, -2.847695010E-005, 2.947910450E-008, -1.093315110E-011, 6.683939320E+004, 6.222964380E+000 3.167806520E+000, 4.752219020E-003, -1.837870770E-006, 3.041902520E-010, -1.772327700E-014, 6.712106500E+004, 6.635894750E+000 linear 2.090000000E+002 4.100000000E+000 2.500000000E+000 L 1/91 C:2 H:2 8.086810940E-001, 2.336156290E-002, -3.551718150E-005, 2.801524370E-008, -8.500729740E-012, 2.642898070E+004, 1.393970510E+001 4.147569640E+000, 5.961666640E-003, -2.372948520E-006, 4.674121710E-010, -3.612352130E-014, 2.593599920E+004, -1.230281210E+000 linear 2.090000000E+002 4.100000000E+000 2.500000000E+000 L 2/92 C:2 H:3 3.212466450E+000, 1.514791620E-003, 2.592094120E-005, -3.576578470E-008, 1.471508730E-011, 3.485984680E+004, 8.510540250E+000 3.016724000E+000, 1.033022920E-002, -4.680823490E-006, 1.017632880E-009, -8.626070410E-014, 3.461287390E+004, 7.787323780E+000 nonlinear 2.090000000E+002 4.100000000E+000 1.000000000E+000 L 1/91 C:2 H:4 3.959201480E+000, -7.570522470E-003, 5.709902920E-005, -6.915887530E-008, 2.698843730E-011, 5.089775930E+003, 4.097330960E+000 2.036111160E+000, 1.464541510E-002, -6.710779150E-006, 1.472229230E-009, -1.257060610E-013, 4.939886140E+003, 1.030536930E+001 nonlinear 2.808000000E+002 3.971000000E+000 1.500000000E+000 L12/92 C:2 H:5 4.306465680E+000, -4.186588920E-003, 4.971428070E-005, -5.991266060E-008, 2.305090040E-011, 1.284162650E+004, 4.707209240E+000 1.954656420E+000, 1.739727220E-002, -7.982066680E-006, 1.752176890E-009, -1.496415760E-013, 1.285752000E+004, 1.346243430E+001 nonlinear 2.523000000E+002 4.302000000E+000 1.500000000E+000 L 8/88 C:2 H:6 4.291424920E+000, -5.501542700E-003, 5.994382880E-005, -7.084662850E-008, 2.686857710E-011, -1.152220550E+004, 2.666823160E+000 1.071881500E+000, 2.168526770E-002, -1.002560670E-005, 2.214120010E-009, -1.900028900E-013, -1.142639320E+004, 1.511561070E+001 nonlinear 2.523000000E+002 4.302000000E+000 1.500000000E+000 SRIC91 H:1 C:2 O:1 2.251721400E+000, 1.765502100E-002, -2.372910100E-005, 1.727575900E-008, -5.066481100E-012, 2.005944900E+004, 1.249041700E+001 5.628205800E+000, 4.085340100E-003, -1.593454700E-006, 2.862605200E-010, -1.940783200E-014, 1.932721500E+004, -3.930259500E+000 nonlinear 1.500000000E+002 2.500000000E+000 1.000000000E+000 L 5/90 C:2 H:2 O:1 2.135836300E+000, 1.811887210E-002, -1.739474740E-005, 9.343975680E-009, -2.014576150E-012, -7.042918040E+003, 1.221564800E+001 4.511297320E+000, 9.003597450E-003, -4.169396350E-006, 9.233458820E-010, -7.948382010E-014, -7.551053110E+003, 6.322472050E-001 nonlinear 4.360000000E+002 3.970000000E+000 2.000000000E+000 SRI91 C:2 O:1 H:2 1.242373300E+000, 3.107220100E-002, -5.086686400E-005, 4.313713100E-008, -1.401459400E-011, 8.031614300E+003, 1.387431900E+001 5.923829100E+000, 6.792360000E-003, -2.565856400E-006, 4.498784100E-010, -2.994010100E-014, 7.264626000E+003, -7.601774200E+000 nonlinear 4.360000000E+002 3.970000000E+000 2.000000000E+000 L 6/88 N:1 2.500000000E+000, 0.000000000E+000, 0.000000000E+000, 0.000000000E+000, 0.000000000E+000, 5.610463700E+004, 4.193908700E+000 2.415942900E+000, 1.748906500E-004, -1.190236900E-007, 3.022624500E-011, -2.036098200E-015, 5.613377300E+004, 4.649609600E+000 atom 7.140000000E+001 3.298000000E+000 And94 N:1 H:1 3.492908500E+000, 3.117919800E-004, -1.489048400E-006, 2.481644200E-009, -1.035696700E-012, 4.188062900E+004, 1.848327800E+000 2.783692800E+000, 1.329843000E-003, -4.247804700E-007, 7.834850100E-011, -5.504447000E-015, 4.212084800E+004, 5.740779900E+000 linear 8.000000000E+001 2.650000000E+000 4.000000000E+000 And89 N:1 H:2 4.204002900E+000, -2.106138500E-003, 7.106834800E-006, -5.611519700E-009, 1.644071700E-012, 2.188591000E+004, -1.418424800E-001 2.834742100E+000, 3.207308200E-003, -9.339080400E-007, 1.370295300E-010, -7.920614400E-015, 2.217195700E+004, 6.520416300E+000 nonlinear 8.000000000E+001 2.650000000E+000 2.260000000E+000 4.000000000E+000 J 6/77 N:1 H:3 4.286027400E+000, -4.660523000E-003, 2.171851300E-005, -2.280888700E-008, 8.263804600E-012, -6.741728500E+003, -6.253727700E-001 2.634452100E+000, 5.666256000E-003, -1.727867600E-006, 2.386716100E-010, -1.257878600E-014, -6.544695800E+003, 6.566292800E+000 nonlinear 4.810000000E+002 2.920000000E+000 1.470000000E+000 1.000000000E+001 T07/93 N:2 H:1 4.344692700E+000, -4.849707200E-003, 2.005945900E-005, -2.172646400E-008, 7.946953900E-012, 2.879197300E+004, 2.977941000E+000 3.766754400E+000, 2.891508200E-003, -1.041662000E-006, 1.684259400E-010, -1.009189600E-014, 2.865069700E+004, 4.470506700E+000 nonlinear 7.140000000E+001 3.798000000E+000 1.000000000E+000 RUS 78 N:1 O:1 4.218476300E+000, -4.638976000E-003, 1.104102200E-005, -9.336135400E-009, 2.803577000E-012, 9.844623000E+003, 2.280846400E+000 3.260605600E+000, 1.191104300E-003, -4.291704800E-007, 6.945766900E-011, -4.033609900E-015, 9.920974600E+003, 6.369302700E+000 linear 9.753000000E+001 3.621000000E+000 1.760000000E+000 4.000000000E+000 L 7/88 N:1 O:2 3.944031200E+000, -1.585429000E-003, 1.665781200E-005, -2.047542600E-008, 7.835056400E-012, 2.896617900E+003, 6.311991700E+000 4.884754200E+000, 2.172395600E-003, -8.280690600E-007, 1.574751000E-010, -1.051089500E-014, 2.316498300E+003, -1.174169500E-001 nonlinear 2.000000000E+002 3.500000000E+000 1.000000000E+000 L 7/88 N:2 O:1 2.257150200E+000, 1.130472800E-002, -1.367131900E-005, 9.681980600E-009, -2.930718200E-012, 8.741774400E+003, 1.075799200E+001 4.823072900E+000, 2.627025100E-003, -9.585087400E-007, 1.600071200E-010, -9.775230300E-015, 8.073404800E+003, -2.201720700E+000 linear 2.324000000E+002 3.828000000E+000 1.000000000E+000 And93 H:1 N:1 O:1 4.533491600E+000, -5.669617100E-003, 1.847320700E-005, -1.713709400E-008, 5.545457300E-012, 1.154829700E+004, 1.749841700E+000 2.979250900E+000, 3.494405900E-003, -7.854977800E-007, 5.747959400E-011, -1.933591600E-016, 1.175058200E+004, 8.606372800E+000 nonlinear 1.167000000E+002 3.492000000E+000 1.000000000E+000 HBH92 C:1 N:1 3.612935100E+000, -9.555132700E-004, 2.144297700E-006, -3.151632300E-010, -4.643035600E-013, 5.170834000E+004, 3.980499500E+000 3.745980500E+000, 4.345077500E-005, 2.970598400E-007, -6.865180600E-011, 4.413417300E-015, 5.153618800E+004, 2.786760100E+000 linear 7.500000000E+001 3.856000000E+000 1.000000000E+000 GRI/98 H:1 C:1 N:1 2.258988600E+000, 1.005117000E-002, -1.335176300E-005, 1.009234900E-008, -3.008902800E-012, 1.471263300E+004, 8.916441900E+000 3.802239200E+000, 3.146422800E-003, -1.063218500E-006, 1.661975700E-010, -9.799757000E-015, 1.440729200E+004, 1.575460100E+000 linear 5.690000000E+002 3.630000000E+000 1.000000000E+000 41687 H:2 C:1 N:1 2.851661000E+000, 5.695233100E-003, 1.071140000E-006, -1.622612000E-009, -2.351108100E-013, 2.863782000E+004, 8.992751100E+000 5.209703000E+000, 2.969291100E-003, -2.855589100E-007, -1.635550000E-010, 3.043258900E-014, 2.767710900E+004, -4.444478000E+000 linear 5.690000000E+002 3.630000000E+000 1.000000000E+000 SRI/94 C:1 N:2 H:1 2.524319400E+000, 1.596061900E-002, -1.881635400E-005, 1.212554000E-008, -3.235737800E-012, 5.426198400E+004, 1.167587000E+001 5.894636200E+000, 3.989595900E-003, -1.598238000E-006, 2.924939500E-010, -2.009468600E-014, 5.345294100E+004, -5.103050200E+000 nonlinear 1.500000000E+002 2.500000000E+000 1.000000000E+000 BDEA94 H:1 N:1 C:1 O:1 2.647279890E+000, 1.275053420E-002, -1.047942360E-005, 4.414328360E-009, -7.575214660E-013, 1.929902520E+004, 1.073329720E+001 6.598604560E+000, 3.027786260E-003, -1.077043460E-006, 1.716665280E-010, -1.014393910E-014, 1.796613390E+004, -1.033065990E+001 nonlinear 2.324000000E+002 3.828000000E+000 1.000000000E+000 BDEA94 H:1 N:1 C:1 O:1 3.786049520E+000, 6.886679220E-003, -3.214878640E-006, 5.171957670E-010, 1.193607880E-014, -2.826984000E+003, 5.632921620E+000 5.897848850E+000, 3.167893930E-003, -1.118010640E-006, 1.772431440E-010, -1.043391770E-014, -3.706533310E+003, -6.181678250E+000 nonlinear 2.324000000E+002 3.828000000E+000 1.000000000E+000 BDEA94 H:1 N:1 C:1 O:1 3.630963170E+000, 7.302823570E-003, -2.280500030E-006, -6.612712980E-010, 3.622357520E-013, -1.558736360E+004, 6.194577270E+000 6.223951340E+000, 3.178640040E-003, -1.093787550E-006, 1.707351630E-010, -9.950219550E-015, -1.665993440E+004, -8.382247410E+000 nonlinear 2.324000000E+002 3.828000000E+000 1.000000000E+000 EA 93 N:1 C:1 O:1 2.826930800E+000, 8.805168800E-003, -8.386613400E-006, 4.801696400E-009, -1.331359500E-012, 1.468247700E+004, 9.550464600E+000 5.152184500E+000, 2.305176100E-003, -8.803315300E-007, 1.478909800E-010, -9.097799600E-015, 1.400412300E+004, -2.544266000E+000 linear 2.324000000E+002 3.828000000E+000 1.000000000E+000 121286 N:2 3.298677000E+000, 1.408240400E-003, -3.963222000E-006, 5.641515000E-009, -2.444854000E-012, -1.020899900E+003, 3.950372000E+000 2.926640000E+000, 1.487976800E-003, -5.684760000E-007, 1.009703800E-010, -6.753351000E-015, -9.227977000E+002, 5.980528000E+000 linear 9.753000000E+001 3.621000000E+000 1.760000000E+000 4.000000000E+000 120186 Ar:1 2.500000000E+000, 0.000000000E+000, 0.000000000E+000, 0.000000000E+000, 0.000000000E+000, -7.453750000E+002, 4.366000000E+000 2.500000000E+000, 0.000000000E+000, 0.000000000E+000, 0.000000000E+000, 0.000000000E+000, -7.453750000E+002, 4.366000000E+000 atom 1.365000000E+002 3.330000000E+000 L 9/84 C:3 H:7 1.051551800E+000, 2.599198000E-002, 2.380054000E-006, -1.960956900E-008, 9.373247000E-012, 1.063186300E+004, 2.112255900E+001 7.702698700E+000, 1.604420300E-002, -5.283322000E-006, 7.629859000E-010, -3.939228400E-014, 8.298433600E+003, -1.548018000E+001 nonlinear 2.668000000E+002 4.982000000E+000 1.000000000E+000 L 4/85 C:3 H:8 9.335538100E-001, 2.642457900E-002, 6.105972700E-006, -2.197749900E-008, 9.514925300E-012, -1.395852000E+004, 1.920169100E+001 7.534136800E+000, 1.887223900E-002, -6.271849100E-006, 9.147564900E-010, -4.783806900E-014, -1.646751600E+004, -1.789234900E+001 nonlinear 2.668000000E+002 4.982000000E+000 1.000000000E+000 SAND86 O:1 H:3 C:2 3.409062000E+000, 1.073857400E-002, 1.891492000E-006, -7.158583000E-009, 2.867385000E-012, 1.521476600E+003, 9.558290000E+000 5.975670000E+000, 8.130591000E-003, -2.743624000E-006, 4.070304000E-010, -2.176017000E-014, 4.903218000E+002, -5.045251000E+000 nonlinear 4.360000000E+002 3.970000000E+000 2.000000000E+000 L 8/88 C:2 H:4 O:1 4.729459500E+000, -3.193285800E-003, 4.753492100E-005, -5.745861100E-008, 2.193111200E-011, -2.157287800E+004, 4.103015900E+000 5.404110800E+000, 1.172305900E-002, -4.226313700E-006, 6.837245100E-010, -4.098486300E-014, -2.259312200E+004, -3.480791700E+000 nonlinear 4.360000000E+002 3.970000000E+000 2.000000000E+000 2 O + M [=] O2 + M O:2 O2:1 1.2e+017 -1 0 AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 O + H + M [=] OH + M O:1 H:1 OH:1 5e+017 -1 0 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 O + H2 [=] H + OH O:1 H2:1 H:1 OH:1 38700 2.7 6260 O + HO2 [=] OH + O2 O:1 HO2:1 OH:1 O2:1 2e+013 0 0 O + H2O2 [=] OH + HO2 O:1 H2O2:1 OH:1 HO2:1 9.63e+006 2 4000 O + CH [=] H + CO O:1 CH:1 H:1 CO:1 5.7e+013 0 0 O + CH2 [=] H + HCO O:1 CH2:1 H:1 HCO:1 8e+013 0 0 O + CH2(S) [=] H2 + CO O:1 CH2(S):1 H2:1 CO:1 1.5e+013 0 0 O + CH2(S) [=] H + HCO O:1 CH2(S):1 H:1 HCO:1 1.5e+013 0 0 O + CH3 [=] H + CH2O O:1 CH3:1 H:1 CH2O:1 5.06e+013 0 0 O + CH4 [=] OH + CH3 O:1 CH4:1 OH:1 CH3:1 1.02e+009 1.5 8600 O + CO (+ M) [=] CO2 (+ M) O:1 CO:1 CO2:1 1.8e+010 0 2385 6.02e+014 0 3000 AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 O + HCO [=] OH + CO O:1 HCO:1 OH:1 CO:1 3e+013 0 0 O + HCO [=] H + CO2 O:1 HCO:1 H:1 CO2:1 3e+013 0 0 O + CH2O [=] OH + HCO O:1 CH2O:1 OH:1 HCO:1 3.9e+013 0 3540 O + CH2OH [=] OH + CH2O O:1 CH2OH:1 OH:1 CH2O:1 1e+013 0 0 O + CH3O [=] OH + CH2O O:1 CH3O:1 OH:1 CH2O:1 1e+013 0 0 O + CH3OH [=] OH + CH2OH O:1 CH3OH:1 OH:1 CH2OH:1 388000 2.5 3100 O + CH3OH [=] OH + CH3O O:1 CH3OH:1 OH:1 CH3O:1 130000 2.5 5000 O + C2H [=] CH + CO O:1 C2H:1 CH:1 CO:1 5e+013 0 0 O + C2H2 [=] H + HCCO O:1 C2H2:1 H:1 HCCO:1 1.35e+007 2 1900 O + C2H2 [=] OH + C2H O:1 C2H2:1 OH:1 C2H:1 4.6e+019 -1.41 28950 O + C2H2 [=] CO + CH2 O:1 C2H2:1 CO:1 CH2:1 6.94e+006 2 1900 O + C2H3 [=] H + CH2CO O:1 C2H3:1 H:1 CH2CO:1 3e+013 0 0 O + C2H4 [=] CH3 + HCO O:1 C2H4:1 CH3:1 HCO:1 1.25e+007 1.83 220 O + C2H5 [=] CH3 + CH2O O:1 C2H5:1 CH3:1 CH2O:1 2.24e+013 0 0 O + C2H6 [=] OH + C2H5 O:1 C2H6:1 OH:1 C2H5:1 8.98e+007 1.92 5690 O + HCCO [=] H + 2 CO O:1 HCCO:1 H:1 CO:2 1e+014 0 0 O + CH2CO [=] OH + HCCO O:1 CH2CO:1 OH:1 HCCO:1 1e+013 0 8000 O + CH2CO [=] CH2 + CO2 O:1 CH2CO:1 CH2:1 CO2:1 1.75e+012 0 1350 O2 + CO [=] O + CO2 O2:1 CO:1 O:1 CO2:1 2.5e+012 0 47800 O2 + CH2O [=] HO2 + HCO O2:1 CH2O:1 HO2:1 HCO:1 1e+014 0 40000 H + O2 + M [=] HO2 + M H:1 O2:1 HO2:1 2.8e+018 -0.86 0 AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 H + 2 O2 [=] HO2 + O2 H:1 O2:2 HO2:1 O2:1 2.08e+019 -1.24 0 H + O2 + H2O [=] HO2 + H2O H:1 O2:1 H2O:1 HO2:1 H2O:1 1.126e+019 -0.76 0 H + O2 + N2 [=] HO2 + N2 H:1 O2:1 N2:1 HO2:1 N2:1 2.6e+019 -1.24 0 H + O2 + AR [=] HO2 + AR H:1 O2:1 AR:1 HO2:1 AR:1 7e+017 -0.8 0 H + O2 [=] O + OH H:1 O2:1 O:1 OH:1 2.65e+016 -0.6707 17041 2 H + M [=] H2 + M H:2 H2:1 1e+018 -1 0 AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 2 H + H2 [=] 2 H2 H:2 H2:1 H2:2 9e+016 -0.6 0 2 H + H2O [=] H2 + H2O H:2 H2O:1 H2:1 H2O:1 6e+019 -1.25 0 2 H + CO2 [=] H2 + CO2 H:2 CO2:1 H2:1 CO2:1 5.5e+020 -2 0 H + OH + M [=] H2O + M H:1 OH:1 H2O:1 2.2e+022 -2 0 AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 H + HO2 [=] O + H2O H:1 HO2:1 O:1 H2O:1 3.97e+012 0 671 H + HO2 [=] O2 + H2 H:1 HO2:1 O2:1 H2:1 4.48e+013 0 1068 H + HO2 [=] 2 OH H:1 HO2:1 OH:2 8.4e+013 0 635 H + H2O2 [=] HO2 + H2 H:1 H2O2:1 HO2:1 H2:1 1.21e+007 2 5200 H + H2O2 [=] OH + H2O H:1 H2O2:1 OH:1 H2O:1 1e+013 0 3600 H + CH [=] C + H2 H:1 CH:1 C:1 H2:1 1.65e+014 0 0 H + CH2 (+ M) [=] CH3 (+ M) H:1 CH2:1 CH3:1 6e+014 0 0 1.04e+026 -2.76 1600 0.562 91 5836 8552 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + CH2(S) [=] CH + H2 H:1 CH2(S):1 CH:1 H2:1 3e+013 0 0 H + CH3 (+ M) [=] CH4 (+ M) H:1 CH3:1 CH4:1 1.39e+016 -0.534 536 2.62e+033 -4.76 2440 0.783 74 2941 6964 AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 H + CH4 [=] CH3 + H2 H:1 CH4:1 CH3:1 H2:1 6.6e+008 1.62 10840 H + HCO (+ M) [=] CH2O (+ M) H:1 HCO:1 CH2O:1 1.09e+012 0.48 -260 2.47e+024 -2.57 425 0.7824 271 2755 6570 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + HCO [=] H2 + CO H:1 HCO:1 H2:1 CO:1 7.34e+013 0 0 H + CH2O (+ M) [=] CH2OH (+ M) H:1 CH2O:1 CH2OH:1 5.4e+011 0.454 3600 1.27e+032 -4.82 6530 0.7187 103 1291 4160 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + CH2O (+ M) [=] CH3O (+ M) H:1 CH2O:1 CH3O:1 5.4e+011 0.454 2600 2.2e+030 -4.8 5560 0.758 94 1555 4200 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + CH2O [=] HCO + H2 H:1 CH2O:1 HCO:1 H2:1 5.74e+007 1.9 2742 H + CH2OH (+ M) [=] CH3OH (+ M) H:1 CH2OH:1 CH3OH:1 1.055e+012 0.5 86 4.36e+031 -4.65 5080 0.6 100 90000 10000 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + CH2OH [=] H2 + CH2O H:1 CH2OH:1 H2:1 CH2O:1 2e+013 0 0 H + CH2OH [=] OH + CH3 H:1 CH2OH:1 OH:1 CH3:1 1.65e+011 0.65 -284 H + CH2OH [=] CH2(S) + H2O H:1 CH2OH:1 CH2(S):1 H2O:1 3.28e+013 -0.09 610 H + CH3O (+ M) [=] CH3OH (+ M) H:1 CH3O:1 CH3OH:1 2.43e+012 0.515 50 4.66e+041 -7.44 14080 0.7 100 90000 10000 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + CH3O [=] H + CH2OH H:1 CH3O:1 H:1 CH2OH:1 4.15e+007 1.63 1924 H + CH3O [=] H2 + CH2O H:1 CH3O:1 H2:1 CH2O:1 2e+013 0 0 H + CH3O [=] OH + CH3 H:1 CH3O:1 OH:1 CH3:1 1.5e+012 0.5 -110 H + CH3O [=] CH2(S) + H2O H:1 CH3O:1 CH2(S):1 H2O:1 2.62e+014 -0.23 1070 H + CH3OH [=] CH2OH + H2 H:1 CH3OH:1 CH2OH:1 H2:1 1.7e+007 2.1 4870 H + CH3OH [=] CH3O + H2 H:1 CH3OH:1 CH3O:1 H2:1 4.2e+006 2.1 4870 H + C2H (+ M) [=] C2H2 (+ M) H:1 C2H:1 C2H2:1 1e+017 -1 0 3.75e+033 -4.8 1900 0.6464 132 1315 5566 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + C2H2 (+ M) [=] C2H3 (+ M) H:1 C2H2:1 C2H3:1 5.6e+012 0 2400 3.8e+040 -7.27 7220 0.7507 98.5 1302 4167 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + C2H3 (+ M) [=] C2H4 (+ M) H:1 C2H3:1 C2H4:1 6.08e+012 0.27 280 1.4e+030 -3.86 3320 0.782 207.5 2663 6095 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + C2H3 [=] H2 + C2H2 H:1 C2H3:1 H2:1 C2H2:1 3e+013 0 0 H + C2H4 (+ M) [=] C2H5 (+ M) H:1 C2H4:1 C2H5:1 5.4e+011 0.454 1820 6e+041 -7.62 6970 0.9753 210 984 4374 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + C2H4 [=] C2H3 + H2 H:1 C2H4:1 C2H3:1 H2:1 1.325e+006 2.53 12240 H + C2H5 (+ M) [=] C2H6 (+ M) H:1 C2H5:1 C2H6:1 5.21e+017 -0.99 1580 1.99e+041 -7.08 6685 0.8422 125 2219 6882 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + C2H5 [=] H2 + C2H4 H:1 C2H5:1 H2:1 C2H4:1 2e+012 0 0 H + C2H6 [=] C2H5 + H2 H:1 C2H6:1 C2H5:1 H2:1 1.15e+008 1.9 7530 H + HCCO [=] CH2(S) + CO H:1 HCCO:1 CH2(S):1 CO:1 1e+014 0 0 H + CH2CO [=] HCCO + H2 H:1 CH2CO:1 HCCO:1 H2:1 5e+013 0 8000 H + CH2CO [=] CH3 + CO H:1 CH2CO:1 CH3:1 CO:1 1.13e+013 0 3428 H + HCCOH [=] H + CH2CO H:1 HCCOH:1 H:1 CH2CO:1 1e+013 0 0 H2 + CO (+ M) [=] CH2O (+ M) H2:1 CO:1 CH2O:1 4.3e+007 1.5 79600 5.07e+027 -3.42 84350 0.932 197 1540 10300 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 OH + H2 [=] H + H2O OH:1 H2:1 H:1 H2O:1 2.16e+008 1.51 3430 2 OH (+ M) [=] H2O2 (+ M) OH:2 H2O2:1 7.4e+013 -0.37 0 2.3e+018 -0.9 -1700 0.7346 94 1756 5182 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 2 OH [=] O + H2O OH:2 O:1 H2O:1 35700 2.4 -2110 OH + HO2 [=] O2 + H2O OH:1 HO2:1 O2:1 H2O:1 1.45e+013 0 -500 idtag_rxn_287 OH + H2O2 [=] HO2 + H2O OH:1 H2O2:1 HO2:1 H2O:1 2e+012 0 427 idtag_rxn_89 OH + H2O2 [=] HO2 + H2O OH:1 H2O2:1 HO2:1 H2O:1 1.7e+018 0 29410 idtag_rxn_88 OH + C [=] H + CO OH:1 C:1 H:1 CO:1 5e+013 0 0 OH + CH [=] H + HCO OH:1 CH:1 H:1 HCO:1 3e+013 0 0 OH + CH2 [=] H + CH2O OH:1 CH2:1 H:1 CH2O:1 2e+013 0 0 OH + CH2 [=] CH + H2O OH:1 CH2:1 CH:1 H2O:1 1.13e+007 2 3000 OH + CH2(S) [=] H + CH2O OH:1 CH2(S):1 H:1 CH2O:1 3e+013 0 0 OH + CH3 (+ M) [=] CH3OH (+ M) OH:1 CH3:1 CH3OH:1 2.79e+018 -1.43 1330 4e+036 -5.92 3140 0.412 195 5900 6394 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 OH + CH3 [=] CH2 + H2O OH:1 CH3:1 CH2:1 H2O:1 5.6e+007 1.6 5420 OH + CH3 [=] CH2(S) + H2O OH:1 CH3:1 CH2(S):1 H2O:1 6.44e+017 -1.34 1417 OH + CH4 [=] CH3 + H2O OH:1 CH4:1 CH3:1 H2O:1 1e+008 1.6 3120 OH + CO [=] H + CO2 OH:1 CO:1 H:1 CO2:1 4.76e+007 1.228 70 OH + HCO [=] H2O + CO OH:1 HCO:1 H2O:1 CO:1 5e+013 0 0 OH + CH2O [=] HCO + H2O OH:1 CH2O:1 HCO:1 H2O:1 3.43e+009 1.18 -447 OH + CH2OH [=] H2O + CH2O OH:1 CH2OH:1 H2O:1 CH2O:1 5e+012 0 0 OH + CH3O [=] H2O + CH2O OH:1 CH3O:1 H2O:1 CH2O:1 5e+012 0 0 OH + CH3OH [=] CH2OH + H2O OH:1 CH3OH:1 CH2OH:1 H2O:1 1.44e+006 2 -840 OH + CH3OH [=] CH3O + H2O OH:1 CH3OH:1 CH3O:1 H2O:1 6.3e+006 2 1500 OH + C2H [=] H + HCCO OH:1 C2H:1 H:1 HCCO:1 2e+013 0 0 OH + C2H2 [=] H + CH2CO OH:1 C2H2:1 H:1 CH2CO:1 0.000218 4.5 -1000 OH + C2H2 [=] H + HCCOH OH:1 C2H2:1 H:1 HCCOH:1 504000 2.3 13500 OH + C2H2 [=] C2H + H2O OH:1 C2H2:1 C2H:1 H2O:1 3.37e+007 2 14000 OH + C2H2 [=] CH3 + CO OH:1 C2H2:1 CH3:1 CO:1 0.000483 4 -2000 OH + C2H3 [=] H2O + C2H2 OH:1 C2H3:1 H2O:1 C2H2:1 5e+012 0 0 OH + C2H4 [=] C2H3 + H2O OH:1 C2H4:1 C2H3:1 H2O:1 3.6e+006 2 2500 OH + C2H6 [=] C2H5 + H2O OH:1 C2H6:1 C2H5:1 H2O:1 3.54e+006 2.12 870 OH + CH2CO [=] HCCO + H2O OH:1 CH2CO:1 HCCO:1 H2O:1 7.5e+012 0 2000 2 HO2 [=] O2 + H2O2 HO2:2 O2:1 H2O2:1 1.3e+011 0 -1630 idtag_rxn_116 2 HO2 [=] O2 + H2O2 HO2:2 O2:1 H2O2:1 4.2e+014 0 12000 idtag_rxn_115 HO2 + CH2 [=] OH + CH2O HO2:1 CH2:1 OH:1 CH2O:1 2e+013 0 0 HO2 + CH3 [=] O2 + CH4 HO2:1 CH3:1 O2:1 CH4:1 1e+012 0 0 HO2 + CH3 [=] OH + CH3O HO2:1 CH3:1 OH:1 CH3O:1 3.78e+013 0 0 HO2 + CO [=] OH + CO2 HO2:1 CO:1 OH:1 CO2:1 1.5e+014 0 23600 HO2 + CH2O [=] HCO + H2O2 HO2:1 CH2O:1 HCO:1 H2O2:1 5.6e+006 2 12000 C + O2 [=] O + CO C:1 O2:1 O:1 CO:1 5.8e+013 0 576 C + CH2 [=] H + C2H C:1 CH2:1 H:1 C2H:1 5e+013 0 0 C + CH3 [=] H + C2H2 C:1 CH3:1 H:1 C2H2:1 5e+013 0 0 CH + O2 [=] O + HCO CH:1 O2:1 O:1 HCO:1 6.71e+013 0 0 CH + H2 [=] H + CH2 CH:1 H2:1 H:1 CH2:1 1.08e+014 0 3110 CH + H2O [=] H + CH2O CH:1 H2O:1 H:1 CH2O:1 5.71e+012 0 -755 CH + CH2 [=] H + C2H2 CH:1 CH2:1 H:1 C2H2:1 4e+013 0 0 CH + CH3 [=] H + C2H3 CH:1 CH3:1 H:1 C2H3:1 3e+013 0 0 CH + CH4 [=] H + C2H4 CH:1 CH4:1 H:1 C2H4:1 6e+013 0 0 CH + CO (+ M) [=] HCCO (+ M) CH:1 CO:1 HCCO:1 5e+013 0 0 2.69e+028 -3.74 1936 0.5757 237 1652 5069 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 CH + CO2 [=] HCO + CO CH:1 CO2:1 HCO:1 CO:1 1.9e+014 0 15792 CH + CH2O [=] H + CH2CO CH:1 CH2O:1 H:1 CH2CO:1 9.46e+013 0 -515 CH + HCCO [=] CO + C2H2 CH:1 HCCO:1 CO:1 C2H2:1 5e+013 0 0 CH2 + O2 =] OH + H + CO CH2:1 O2:1 OH:1 H:1 CO:1 5e+012 0 1500 CH2 + H2 [=] H + CH3 CH2:1 H2:1 H:1 CH3:1 500000 2 7230 2 CH2 [=] H2 + C2H2 CH2:2 H2:1 C2H2:1 1.6e+015 0 11944 CH2 + CH3 [=] H + C2H4 CH2:1 CH3:1 H:1 C2H4:1 4e+013 0 0 CH2 + CH4 [=] 2 CH3 CH2:1 CH4:1 CH3:2 2.46e+006 2 8270 CH2 + CO (+ M) [=] CH2CO (+ M) CH2:1 CO:1 CH2CO:1 8.1e+011 0.5 4510 2.69e+033 -5.11 7095 0.5907 275 1226 5185 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 CH2 + HCCO [=] C2H3 + CO CH2:1 HCCO:1 C2H3:1 CO:1 3e+013 0 0 CH2(S) + N2 [=] CH2 + N2 CH2(S):1 N2:1 CH2:1 N2:1 1.5e+013 0 600 CH2(S) + AR [=] CH2 + AR CH2(S):1 AR:1 CH2:1 AR:1 9e+012 0 600 CH2(S) + O2 [=] H + OH + CO CH2(S):1 O2:1 H:1 OH:1 CO:1 2.8e+013 0 0 CH2(S) + O2 [=] CO + H2O CH2(S):1 O2:1 CO:1 H2O:1 1.2e+013 0 0 CH2(S) + H2 [=] CH3 + H CH2(S):1 H2:1 CH3:1 H:1 7e+013 0 0 CH2(S) + H2O (+ M) [=] CH3OH (+ M) CH2(S):1 H2O:1 CH3OH:1 4.82e+017 -1.16 1145 1.88e+038 -6.36 5040 0.6027 208 3922 10180 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 CH2(S) + H2O [=] CH2 + H2O CH2(S):1 H2O:1 CH2:1 H2O:1 3e+013 0 0 CH2(S) + CH3 [=] H + C2H4 CH2(S):1 CH3:1 H:1 C2H4:1 1.2e+013 0 -570 CH2(S) + CH4 [=] 2 CH3 CH2(S):1 CH4:1 CH3:2 1.6e+013 0 -570 CH2(S) + CO [=] CH2 + CO CH2(S):1 CO:1 CH2:1 CO:1 9e+012 0 0 CH2(S) + CO2 [=] CH2 + CO2 CH2(S):1 CO2:1 CH2:1 CO2:1 7e+012 0 0 CH2(S) + CO2 [=] CO + CH2O CH2(S):1 CO2:1 CO:1 CH2O:1 1.4e+013 0 0 CH2(S) + C2H6 [=] CH3 + C2H5 CH2(S):1 C2H6:1 CH3:1 C2H5:1 4e+013 0 -550 CH3 + O2 [=] O + CH3O CH3:1 O2:1 O:1 CH3O:1 3.56e+013 0 30480 CH3 + O2 [=] OH + CH2O CH3:1 O2:1 OH:1 CH2O:1 2.31e+012 0 20315 CH3 + H2O2 [=] HO2 + CH4 CH3:1 H2O2:1 HO2:1 CH4:1 24500 2.47 5180 2 CH3 (+ M) [=] C2H6 (+ M) CH3:2 C2H6:1 6.77e+016 -1.18 654 3.4e+041 -7.03 2762 0.619 73.2 1180 9999 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 2 CH3 [=] H + C2H5 CH3:2 H:1 C2H5:1 6.84e+012 0.1 10600 CH3 + HCO [=] CH4 + CO CH3:1 HCO:1 CH4:1 CO:1 2.648e+013 0 0 CH3 + CH2O [=] HCO + CH4 CH3:1 CH2O:1 HCO:1 CH4:1 3320 2.81 5860 CH3 + CH3OH [=] CH2OH + CH4 CH3:1 CH3OH:1 CH2OH:1 CH4:1 3e+007 1.5 9940 CH3 + CH3OH [=] CH3O + CH4 CH3:1 CH3OH:1 CH3O:1 CH4:1 1e+007 1.5 9940 CH3 + C2H4 [=] C2H3 + CH4 CH3:1 C2H4:1 C2H3:1 CH4:1 227000 2 9200 CH3 + C2H6 [=] C2H5 + CH4 CH3:1 C2H6:1 C2H5:1 CH4:1 6.14e+006 1.74 10450 HCO + H2O [=] H + CO + H2O HCO:1 H2O:1 H:1 CO:1 H2O:1 1.5e+018 -1 17000 HCO + M [=] H + CO + M HCO:1 H:1 CO:1 1.87e+017 -1 17000 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 HCO + O2 [=] HO2 + CO HCO:1 O2:1 HO2:1 CO:1 1.345e+013 0 400 CH2OH + O2 [=] HO2 + CH2O CH2OH:1 O2:1 HO2:1 CH2O:1 1.8e+013 0 900 CH3O + O2 [=] HO2 + CH2O CH3O:1 O2:1 HO2:1 CH2O:1 4.28e-013 7.6 -3530 C2H + O2 [=] HCO + CO C2H:1 O2:1 HCO:1 CO:1 1e+013 0 -755 C2H + H2 [=] H + C2H2 C2H:1 H2:1 H:1 C2H2:1 5.68e+010 0.9 1993 C2H3 + O2 [=] HCO + CH2O C2H3:1 O2:1 HCO:1 CH2O:1 4.58e+016 -1.39 1015 C2H4 (+ M) [=] H2 + C2H2 (+ M) C2H4:1 H2:1 C2H2:1 8e+012 0.44 86770 1.58e+051 -9.3 97800 0.7345 180 1035 5417 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 C2H5 + O2 [=] HO2 + C2H4 C2H5:1 O2:1 HO2:1 C2H4:1 8.4e+011 0 3875 HCCO + O2 [=] OH + 2 CO HCCO:1 O2:1 OH:1 CO:2 3.2e+012 0 854 2 HCCO [=] 2 CO + C2H2 HCCO:2 CO:2 C2H2:1 1e+013 0 0 N + NO [=] N2 + O N:1 NO:1 N2:1 O:1 2.7e+013 0 355 N + O2 [=] NO + O N:1 O2:1 NO:1 O:1 9e+009 1 6500 N + OH [=] NO + H N:1 OH:1 NO:1 H:1 3.36e+013 0 385 N2O + O [=] N2 + O2 N2O:1 O:1 N2:1 O2:1 1.4e+012 0 10810 N2O + O [=] 2 NO N2O:1 O:1 NO:2 2.9e+013 0 23150 N2O + H [=] N2 + OH N2O:1 H:1 N2:1 OH:1 3.87e+014 0 18880 N2O + OH [=] N2 + HO2 N2O:1 OH:1 N2:1 HO2:1 2e+012 0 21060 N2O (+ M) [=] N2 + O (+ M) N2O:1 N2:1 O:1 7.91e+010 0 56020 6.37e+014 0 56640 AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 HO2 + NO [=] NO2 + OH HO2:1 NO:1 NO2:1 OH:1 2.11e+012 0 -480 NO + O + M [=] NO2 + M NO:1 O:1 NO2:1 1.06e+020 -1.41 0 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 NO2 + O [=] NO + O2 NO2:1 O:1 NO:1 O2:1 3.9e+012 0 -240 NO2 + H [=] NO + OH NO2:1 H:1 NO:1 OH:1 1.32e+014 0 360 NH + O [=] NO + H NH:1 O:1 NO:1 H:1 4e+013 0 0 NH + H [=] N + H2 NH:1 H:1 N:1 H2:1 3.2e+013 0 330 NH + OH [=] HNO + H NH:1 OH:1 HNO:1 H:1 2e+013 0 0 NH + OH [=] N + H2O NH:1 OH:1 N:1 H2O:1 2e+009 1.2 0 NH + O2 [=] HNO + O NH:1 O2:1 HNO:1 O:1 461000 2 6500 NH + O2 [=] NO + OH NH:1 O2:1 NO:1 OH:1 1.28e+006 1.5 100 NH + N [=] N2 + H NH:1 N:1 N2:1 H:1 1.5e+013 0 0 NH + H2O [=] HNO + H2 NH:1 H2O:1 HNO:1 H2:1 2e+013 0 13850 NH + NO [=] N2 + OH NH:1 NO:1 N2:1 OH:1 2.16e+013 -0.23 0 NH + NO [=] N2O + H NH:1 NO:1 N2O:1 H:1 3.65e+014 -0.45 0 NH2 + O [=] OH + NH NH2:1 O:1 OH:1 NH:1 3e+012 0 0 NH2 + O [=] H + HNO NH2:1 O:1 H:1 HNO:1 3.9e+013 0 0 NH2 + H [=] NH + H2 NH2:1 H:1 NH:1 H2:1 4e+013 0 3650 NH2 + OH [=] NH + H2O NH2:1 OH:1 NH:1 H2O:1 9e+007 1.5 -460 NNH [=] N2 + H NNH:1 N2:1 H:1 3.3e+008 0 0 NNH + M [=] N2 + H + M NNH:1 N2:1 H:1 1.3e+014 -0.11 4980 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 NNH + O2 [=] HO2 + N2 NNH:1 O2:1 HO2:1 N2:1 5e+012 0 0 NNH + O [=] OH + N2 NNH:1 O:1 OH:1 N2:1 2.5e+013 0 0 NNH + O [=] NH + NO NNH:1 O:1 NH:1 NO:1 7e+013 0 0 NNH + H [=] H2 + N2 NNH:1 H:1 H2:1 N2:1 5e+013 0 0 NNH + OH [=] H2O + N2 NNH:1 OH:1 H2O:1 N2:1 2e+013 0 0 NNH + CH3 [=] CH4 + N2 NNH:1 CH3:1 CH4:1 N2:1 2.5e+013 0 0 H + NO + M [=] HNO + M H:1 NO:1 HNO:1 4.48e+019 -1.32 740 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 HNO + O [=] NO + OH HNO:1 O:1 NO:1 OH:1 2.5e+013 0 0 HNO + H [=] H2 + NO HNO:1 H:1 H2:1 NO:1 9e+011 0.72 660 HNO + OH [=] NO + H2O HNO:1 OH:1 NO:1 H2O:1 1.3e+007 1.9 -950 HNO + O2 [=] HO2 + NO HNO:1 O2:1 HO2:1 NO:1 1e+013 0 13000 CN + O [=] CO + N CN:1 O:1 CO:1 N:1 7.7e+013 0 0 CN + OH [=] NCO + H CN:1 OH:1 NCO:1 H:1 4e+013 0 0 CN + H2O [=] HCN + OH CN:1 H2O:1 HCN:1 OH:1 8e+012 0 7460 CN + O2 [=] NCO + O CN:1 O2:1 NCO:1 O:1 6.14e+012 0 -440 CN + H2 [=] HCN + H CN:1 H2:1 HCN:1 H:1 295000 2.45 2240 NCO + O [=] NO + CO NCO:1 O:1 NO:1 CO:1 2.35e+013 0 0 NCO + H [=] NH + CO NCO:1 H:1 NH:1 CO:1 5.4e+013 0 0 NCO + OH [=] NO + H + CO NCO:1 OH:1 NO:1 H:1 CO:1 2.5e+012 0 0 NCO + N [=] N2 + CO NCO:1 N:1 N2:1 CO:1 2e+013 0 0 NCO + O2 [=] NO + CO2 NCO:1 O2:1 NO:1 CO2:1 2e+012 0 20000 NCO + M [=] N + CO + M NCO:1 N:1 CO:1 3.1e+014 0 54050 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 NCO + NO [=] N2O + CO NCO:1 NO:1 N2O:1 CO:1 1.9e+017 -1.52 740 NCO + NO [=] N2 + CO2 NCO:1 NO:1 N2:1 CO2:1 3.8e+018 -2 800 HCN + M [=] H + CN + M HCN:1 H:1 CN:1 1.04e+029 -3.3 126600 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 HCN + O [=] NCO + H HCN:1 O:1 NCO:1 H:1 20300 2.64 4980 HCN + O [=] NH + CO HCN:1 O:1 NH:1 CO:1 5070 2.64 4980 HCN + O [=] CN + OH HCN:1 O:1 CN:1 OH:1 3.91e+009 1.58 26600 HCN + OH [=] HOCN + H HCN:1 OH:1 HOCN:1 H:1 1.1e+006 2.03 13370 HCN + OH [=] HNCO + H HCN:1 OH:1 HNCO:1 H:1 4400 2.26 6400 HCN + OH [=] NH2 + CO HCN:1 OH:1 NH2:1 CO:1 160 2.56 9000 H + HCN (+ M) [=] H2CN (+ M) H:1 HCN:1 H2CN:1 3.3e+013 0 0 1.4e+026 -3.4 1900 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H2CN + N [=] N2 + CH2 H2CN:1 N:1 N2:1 CH2:1 6e+013 0 400 C + N2 [=] CN + N C:1 N2:1 CN:1 N:1 6.3e+013 0 46020 CH + N2 [=] HCN + N CH:1 N2:1 HCN:1 N:1 3.12e+009 0.88 20130 CH + N2 (+ M) [=] HCNN (+ M) CH:1 N2:1 HCNN:1 3.1e+012 0.15 0 1.3e+025 -3.16 740 0.667 235 2117 4536 AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 CH2 + N2 [=] HCN + NH CH2:1 N2:1 HCN:1 NH:1 1e+013 0 74000 CH2(S) + N2 [=] NH + HCN CH2(S):1 N2:1 NH:1 HCN:1 1e+011 0 65000 C + NO [=] CN + O C:1 NO:1 CN:1 O:1 1.9e+013 0 0 C + NO [=] CO + N C:1 NO:1 CO:1 N:1 2.9e+013 0 0 CH + NO [=] HCN + O CH:1 NO:1 HCN:1 O:1 4.1e+013 0 0 CH + NO [=] H + NCO CH:1 NO:1 H:1 NCO:1 1.62e+013 0 0 CH + NO [=] N + HCO CH:1 NO:1 N:1 HCO:1 2.46e+013 0 0 CH2 + NO [=] H + HNCO CH2:1 NO:1 H:1 HNCO:1 3.1e+017 -1.38 1270 CH2 + NO [=] OH + HCN CH2:1 NO:1 OH:1 HCN:1 2.9e+014 -0.69 760 CH2 + NO [=] H + HCNO CH2:1 NO:1 H:1 HCNO:1 3.8e+013 -0.36 580 CH2(S) + NO [=] H + HNCO CH2(S):1 NO:1 H:1 HNCO:1 3.1e+017 -1.38 1270 CH2(S) + NO [=] OH + HCN CH2(S):1 NO:1 OH:1 HCN:1 2.9e+014 -0.69 760 CH2(S) + NO [=] H + HCNO CH2(S):1 NO:1 H:1 HCNO:1 3.8e+013 -0.36 580 CH3 + NO [=] HCN + H2O CH3:1 NO:1 HCN:1 H2O:1 9.6e+013 0 28800 CH3 + NO [=] H2CN + OH CH3:1 NO:1 H2CN:1 OH:1 1e+012 0 21750 HCNN + O [=] CO + H + N2 HCNN:1 O:1 CO:1 H:1 N2:1 2.2e+013 0 0 HCNN + O [=] HCN + NO HCNN:1 O:1 HCN:1 NO:1 2e+012 0 0 HCNN + O2 [=] O + HCO + N2 HCNN:1 O2:1 O:1 HCO:1 N2:1 1.2e+013 0 0 HCNN + OH [=] H + HCO + N2 HCNN:1 OH:1 H:1 HCO:1 N2:1 1.2e+013 0 0 HCNN + H [=] CH2 + N2 HCNN:1 H:1 CH2:1 N2:1 1e+014 0 0 HNCO + O [=] NH + CO2 HNCO:1 O:1 NH:1 CO2:1 9.8e+007 1.41 8500 HNCO + O [=] HNO + CO HNCO:1 O:1 HNO:1 CO:1 1.5e+008 1.57 44000 HNCO + O [=] NCO + OH HNCO:1 O:1 NCO:1 OH:1 2.2e+006 2.11 11400 HNCO + H [=] NH2 + CO HNCO:1 H:1 NH2:1 CO:1 2.25e+007 1.7 3800 HNCO + H [=] H2 + NCO HNCO:1 H:1 H2:1 NCO:1 105000 2.5 13300 HNCO + OH [=] NCO + H2O HNCO:1 OH:1 NCO:1 H2O:1 3.3e+007 1.5 3600 HNCO + OH [=] NH2 + CO2 HNCO:1 OH:1 NH2:1 CO2:1 3.3e+006 1.5 3600 HNCO + M [=] NH + CO + M HNCO:1 NH:1 CO:1 1.18e+016 0 84720 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 HCNO + H [=] H + HNCO HCNO:1 H:1 H:1 HNCO:1 2.1e+015 -0.69 2850 HCNO + H [=] OH + HCN HCNO:1 H:1 OH:1 HCN:1 2.7e+011 0.18 2120 HCNO + H [=] NH2 + CO HCNO:1 H:1 NH2:1 CO:1 1.7e+014 -0.75 2890 HOCN + H [=] H + HNCO HOCN:1 H:1 H:1 HNCO:1 2e+007 2 2000 HCCO + NO [=] HCNO + CO HCCO:1 NO:1 HCNO:1 CO:1 9e+012 0 0 CH3 + N [=] H2CN + H CH3:1 N:1 H2CN:1 H:1 6.1e+014 -0.31 290 CH3 + N [=] HCN + H2 CH3:1 N:1 HCN:1 H2:1 3.7e+012 0.15 -90 NH3 + H [=] NH2 + H2 NH3:1 H:1 NH2:1 H2:1 540000 2.4 9915 NH3 + OH [=] NH2 + H2O NH3:1 OH:1 NH2:1 H2O:1 5e+007 1.6 955 NH3 + O [=] NH2 + OH NH3:1 O:1 NH2:1 OH:1 9.4e+006 1.94 6460 NH + CO2 [=] HNO + CO NH:1 CO2:1 HNO:1 CO:1 1e+013 0 14350 CN + NO2 [=] NCO + NO CN:1 NO2:1 NCO:1 NO:1 6.16e+015 -0.752 345 NCO + NO2 [=] N2O + CO2 NCO:1 NO2:1 N2O:1 CO2:1 3.25e+012 0 -705 N + CO2 [=] NO + CO N:1 CO2:1 NO:1 CO:1 3e+012 0 11300 O + CH3 =] H + H2 + CO O:1 CH3:1 H:1 H2:1 CO:1 3.37e+013 0 0 O + C2H4 [=] H + CH2CHO O:1 C2H4:1 H:1 CH2CHO:1 6.7e+006 1.83 220 O + C2H5 [=] H + CH3CHO O:1 C2H5:1 H:1 CH3CHO:1 1.096e+014 0 0 OH + HO2 [=] O2 + H2O OH:1 HO2:1 O2:1 H2O:1 5e+015 0 17330 idtag_rxn_87 OH + CH3 =] H2 + CH2O OH:1 CH3:1 H2:1 CH2O:1 8e+009 0.5 -1755 CH + H2 (+ M) [=] CH3 (+ M) CH:1 H2:1 CH3:1 1.97e+012 0.43 -370 4.82e+025 -2.8 590 0.578 122 2535 9365 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 CH2 + O2 =] 2 H + CO2 CH2:1 O2:1 H:2 CO2:1 5.8e+012 0 1500 CH2 + O2 [=] O + CH2O CH2:1 O2:1 O:1 CH2O:1 2.4e+012 0 1500 CH2 + CH2 =] 2 H + C2H2 CH2:1 CH2:1 H:2 C2H2:1 2e+014 0 10989 CH2(S) + H2O =] H2 + CH2O CH2(S):1 H2O:1 H2:1 CH2O:1 6.82e+010 0.25 -935 C2H3 + O2 [=] O + CH2CHO C2H3:1 O2:1 O:1 CH2CHO:1 3.03e+011 0.29 11 C2H3 + O2 [=] HO2 + C2H2 C2H3:1 O2:1 HO2:1 C2H2:1 1.337e+006 1.61 -384 O + CH3CHO [=] OH + CH2CHO O:1 CH3CHO:1 OH:1 CH2CHO:1 5.84e+012 0 1808 O + CH3CHO =] OH + CH3 + CO O:1 CH3CHO:1 OH:1 CH3:1 CO:1 5.84e+012 0 1808 O2 + CH3CHO =] HO2 + CH3 + CO O2:1 CH3CHO:1 HO2:1 CH3:1 CO:1 3.01e+013 0 39150 H + CH3CHO [=] CH2CHO + H2 H:1 CH3CHO:1 CH2CHO:1 H2:1 2.05e+009 1.16 2405 H + CH3CHO =] CH3 + H2 + CO H:1 CH3CHO:1 CH3:1 H2:1 CO:1 2.05e+009 1.16 2405 OH + CH3CHO =] CH3 + H2O + CO OH:1 CH3CHO:1 CH3:1 H2O:1 CO:1 2.343e+010 0.73 -1113 HO2 + CH3CHO =] CH3 + H2O2 + CO HO2:1 CH3CHO:1 CH3:1 H2O2:1 CO:1 3.01e+012 0 11923 CH3 + CH3CHO =] CH3 + CH4 + CO CH3:1 CH3CHO:1 CH3:1 CH4:1 CO:1 2.72e+006 1.77 5920 H + CH2CO (+ M) [=] CH2CHO (+ M) H:1 CH2CO:1 CH2CHO:1 4.865e+011 0.422 -1755 1.012e+042 -7.63 3854 0.465 201 1773 5333 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 O + CH2CHO =] H + CH2 + CO2 O:1 CH2CHO:1 H:1 CH2:1 CO2:1 1.5e+014 0 0 O2 + CH2CHO =] OH + CO + CH2O O2:1 CH2CHO:1 OH:1 CO:1 CH2O:1 1.81e+010 0 0 O2 + CH2CHO =] OH + 2 HCO O2:1 CH2CHO:1 OH:1 HCO:2 2.35e+010 0 0 H + CH2CHO [=] CH3 + HCO H:1 CH2CHO:1 CH3:1 HCO:1 2.2e+013 0 0 H + CH2CHO [=] CH2CO + H2 H:1 CH2CHO:1 CH2CO:1 H2:1 1.1e+013 0 0 OH + CH2CHO [=] H2O + CH2CO OH:1 CH2CHO:1 H2O:1 CH2CO:1 1.2e+013 0 0 OH + CH2CHO [=] HCO + CH2OH OH:1 CH2CHO:1 HCO:1 CH2OH:1 3.01e+013 0 0 CH3 + C2H5 (+ M) [=] C3H8 (+ M) CH3:1 C2H5:1 C3H8:1 9.43e+012 0 0 2.71e+074 -16.82 13065 0.1527 291 2742 7748 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 O + C3H8 [=] OH + C3H7 O:1 C3H8:1 OH:1 C3H7:1 193000 2.68 3716 H + C3H8 [=] C3H7 + H2 H:1 C3H8:1 C3H7:1 H2:1 1.32e+006 2.54 6756 OH + C3H8 [=] C3H7 + H2O OH:1 C3H8:1 C3H7:1 H2O:1 3.16e+007 1.8 934 C3H7 + H2O2 [=] HO2 + C3H8 C3H7:1 H2O2:1 HO2:1 C3H8:1 378 2.72 1500 CH3 + C3H8 [=] C3H7 + CH4 CH3:1 C3H8:1 C3H7:1 CH4:1 0.903 3.65 7154 CH3 + C2H4 (+ M) [=] C3H7 (+ M) CH3:1 C2H4:1 C3H7:1 2.55e+006 1.6 5700 3e+063 -14.6 18170 0.1894 277 8748 7891 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 O + C3H7 [=] C2H5 + CH2O O:1 C3H7:1 C2H5:1 CH2O:1 9.64e+013 0 0 H + C3H7 (+ M) [=] C3H8 (+ M) H:1 C3H7:1 C3H8:1 3.613e+013 0 0 4.42e+061 -13.545 11357 0.315 369 3285 6667 AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 H + C3H7 [=] CH3 + C2H5 H:1 C3H7:1 CH3:1 C2H5:1 4.06e+006 2.19 890 OH + C3H7 [=] C2H5 + CH2OH OH:1 C3H7:1 C2H5:1 CH2OH:1 2.41e+013 0 0 HO2 + C3H7 [=] O2 + C3H8 HO2:1 C3H7:1 O2:1 C3H8:1 2.55e+010 0.255 -943 HO2 + C3H7 =] OH + C2H5 + CH2O HO2:1 C3H7:1 OH:1 C2H5:1 CH2O:1 2.41e+013 0 0 CH3 + C3H7 [=] 2 C2H5 CH3:1 C3H7:1 C2H5:2 1.927e+013 -0.32 0