diff --git a/test_problems/cxx_ex/gri30.xml b/test_problems/cxx_ex/gri30.xml index da7da5613..4465bfd0a 100644 --- a/test_problems/cxx_ex/gri30.xml +++ b/test_problems/cxx_ex/gri30.xml @@ -1,4877 +1,6114 @@ - - - - - - - 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 - - - - + 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 + + + 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 - + + + 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 - 3.800000000E+001 - 2.920000000E+000 - 7.900000000E-001 - 2.800000000E+002 + 38.000 + 2.920 + 0.000 + 0.790 + 280.000 - - - L 7/88 - H:1 + + + 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 - + + + 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 - 1.450000000E+002 - 2.050000000E+000 + 145.000 + 2.050 + 0.000 + 0.000 + 0.000 - - - L 1/90 - O:1 + + + 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 - + + + 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 - 8.000000000E+001 - 2.750000000E+000 + 80.000 + 2.750 + 0.000 + 0.000 + 0.000 - - - TPIS89 - O:2 + + + 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 - + + + 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 - 1.074000000E+002 - 3.458000000E+000 - 1.600000000E+000 - 3.800000000E+000 + 107.400 + 3.460 + 0.000 + 1.600 + 3.800 - - - RUS 78 - O:1 H:1 + + + H:1 O: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 - 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4.000000000E+000 + 572.400 + 2.600 + 1.840 + 0.000 + 4.000 - - - L 5/89 - H:1 O:2 + + + 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 - + + + 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 - 1.074000000E+002 - 3.458000000E+000 - 1.000000000E+000 + 107.400 + 3.460 + 0.000 + 0.000 + 1.000 - - - L 7/88 - H:2 O:2 + + + 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 - + + + 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 - 1.074000000E+002 - 3.458000000E+000 - 3.800000000E+000 + 107.400 + 3.460 + 0.000 + 0.000 + 3.800 - - - L11/88 - C:1 + + + 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 - + + + 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 - 7.140000000E+001 - 3.298000000E+000 + 71.400 + 3.300 + 0.000 + 0.000 + 0.000 - - - TPIS79 - C:1 H:1 + + + H:1 C: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 - + + + 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 - 8.000000000E+001 - 2.750000000E+000 + 80.000 + 2.750 + 0.000 + 0.000 + 0.000 - - - L S/93 - C:1 H:2 + + + H:2 C:1 - - - 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 - + + + 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 - 1.440000000E+002 - 3.800000000E+000 + 144.000 + 3.800 + 0.000 + 0.000 + 0.000 - - - L S/93 - C:1 H:2 + + + H:2 C:1 - - - 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 - + + + 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 - 1.440000000E+002 - 3.800000000E+000 + 144.000 + 3.800 + 0.000 + 0.000 + 0.000 - - - L11/89 - C:1 H:3 + + + H:3 C:1 - - - 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 - + + + 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 - 1.440000000E+002 - 3.800000000E+000 + 144.000 + 3.800 + 0.000 + 0.000 + 0.000 - - - L 8/88 - C:1 H:4 + + + H:4 C:1 - - - 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 - + + + 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 - 1.414000000E+002 - 3.746000000E+000 - 2.600000000E+000 - 1.300000000E+001 + 141.400 + 3.750 + 0.000 + 2.600 + 13.000 - - - TPIS79 - C:1 O:1 + + + 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 - + + + 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 - 9.810000000E+001 - 3.650000000E+000 - 1.950000000E+000 - 1.800000000E+000 + 98.100 + 3.650 + 0.000 + 1.950 + 1.800 - - - L 7/88 - C:1 O:2 + + + 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 - + + + 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 - 2.440000000E+002 - 3.763000000E+000 - 2.650000000E+000 - 2.100000000E+000 + 244.000 + 3.760 + 0.000 + 2.650 + 2.100 - - - L12/89 - H:1 C:1 O:1 + + + 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 - + + + 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, - 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+ nonlinear - 2.324000000E+002 - 3.828000000E+000 - 1.000000000E+000 + 232.400 + 3.830 + 0.000 + 0.000 + 1.000 - - - BDEA94 - H:1 N:1 C:1 O:1 + + + H:1 C:1 O:1 N: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 - + + + 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 - 2.324000000E+002 - 3.828000000E+000 - 1.000000000E+000 + 232.400 + 3.830 + 0.000 + 0.000 + 1.000 - - - BDEA94 - H:1 N:1 C:1 O:1 + + + H:1 C:1 O:1 N:1 - - - 3.630963170E+000, 7.302823570E-003, -2.280500030E-006, - -6.612712980E-010, 3.622357520E-013, -1.558736360E+004, - 6.194577270E+000 - 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+ linear - 2.324000000E+002 - 3.828000000E+000 - 1.000000000E+000 + 232.400 + 3.830 + 0.000 + 0.000 + 1.000 - - - 121286 - N:2 + + + 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 - + + + 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 - 9.753000000E+001 - 3.621000000E+000 - 1.760000000E+000 - 4.000000000E+000 + 97.530 + 3.620 + 0.000 + 1.760 + 4.000 - - - 120186 - Ar:1 + + + 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, - 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2.668000000E+002 - 4.982000000E+000 - 1.000000000E+000 + 266.800 + 4.980 + 0.000 + 0.000 + 1.000 - - - L 4/85 - C:3 H:8 + + + H:8 C:3 - - - 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 - + + + 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 - 2.668000000E+002 - 4.982000000E+000 - 1.000000000E+000 + 266.800 + 4.980 + 0.000 + 0.000 + 1.000 - - - SAND86 - O:1 H:3 C:2 + + + H:3 C:2 O:1 - - - 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 - + + + 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 - 4.360000000E+002 - 3.970000000E+000 - 2.000000000E+000 + 436.000 + 3.970 + 0.000 + 0.000 + 2.000 - - - L 8/88 - C:2 H:4 O:1 + + + H:4 C:2 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 - + + + 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 - 4.360000000E+002 - 3.970000000E+000 - 2.000000000E+000 + 436.000 + 3.970 + 0.000 + 0.000 + 2.000 + - - - - - + + 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 - + + + 1.200000E+17 + -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 - 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 - + + + 5.000000E+17 + -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 - O:1 H2:1 - H:1 OH:1 - - 38700 2.7 6260 + + + 3.870000E+04 + 2.7000000000000002 + 6260.000000 + + H2:1 O:1 + H:1 OH:1 - - + + O + HO2 [=] OH + O2 - O:1 HO2:1 - OH:1 O2:1 - - 2e+013 0 0 + + + 2.000000E+13 + 0 + 0.000000 + + HO2:1 O:1 + O2:1 OH:1 - - + + O + H2O2 [=] OH + HO2 - O:1 H2O2:1 - OH:1 HO2:1 - - 9.63e+006 2 4000 + + + 9.630000E+06 + 2 + 4000.000000 + + H2O2:1 O:1 + HO2:1 OH:1 - - + + O + CH [=] H + CO - O:1 CH:1 - H:1 CO:1 - - 5.7e+013 0 0 + + + 5.700000E+13 + 0 + 0.000000 + + CH:1 O:1 + H:1 CO:1 - - + + O + CH2 [=] H + HCO - O:1 CH2:1 - H:1 HCO:1 - - 8e+013 0 0 + + + 8.000000E+13 + 0 + 0.000000 + + CH2:1 O:1 + H:1 HCO:1 - - + + O + CH2(S) [=] H2 + CO - O:1 CH2(S):1 - H2:1 CO:1 - - 1.5e+013 0 0 + + + 1.500000E+13 + 0 + 0.000000 + + CH2(S):1 O:1 + H2:1 CO:1 - - + + O + CH2(S) [=] H + HCO - O:1 CH2(S):1 - H:1 HCO:1 - - 1.5e+013 0 0 + + + 1.500000E+13 + 0 + 0.000000 + + CH2(S):1 O:1 + H:1 HCO:1 - - + + O + CH3 [=] H + CH2O - O:1 CH3:1 - H:1 CH2O:1 - - 5.06e+013 0 0 + + + 5.060000E+13 + 0 + 0.000000 + + CH3:1 O:1 + CH2O:1 H:1 - - + + O + CH4 [=] OH + CH3 - O:1 CH4:1 - OH:1 CH3:1 - - 1.02e+009 1.5 8600 + + + 1.020000E+09 + 1.5 + 8600.000000 + + CH4:1 O:1 + CH3:1 OH:1 - - + + O + CO (+ M) [=] CO2 (+ M) - O:1 CO:1 - CO2:1 - - 1.8e+010 0 2385 - 6.02e+014 0 3000 + + + 1.800000E+10 + 0 + 2385.000000 + + + 6.020000E+14 + 0 + 3000.000000 + + AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 - - 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 - O:1 HCO:1 - OH:1 CO:1 - - 3e+013 0 0 + + + 3.000000E+13 + 0 + 0.000000 + + HCO:1 O:1 + CO:1 OH:1 - - + + O + HCO [=] H + CO2 - O:1 HCO:1 - H:1 CO2:1 - - 3e+013 0 0 + + + 3.000000E+13 + 0 + 0.000000 + + HCO:1 O:1 + H:1 CO2:1 - - + + O + CH2O [=] OH + HCO - O:1 CH2O:1 - OH:1 HCO:1 - - 3.9e+013 0 3540 + + + 3.900000E+13 + 0 + 3540.000000 + + CH2O:1 O:1 + HCO:1 OH:1 - - + + O + CH2OH [=] OH + CH2O - O:1 CH2OH:1 - OH:1 CH2O:1 - - 1e+013 0 0 + + + 1.000000E+13 + 0 + 0.000000 + + CH2OH:1 O:1 + CH2O:1 OH:1 - - + + O + CH3O [=] OH + CH2O - O:1 CH3O:1 - OH:1 CH2O:1 - - 1e+013 0 0 + + + 1.000000E+13 + 0 + 0.000000 + + CH3O:1 O:1 + CH2O:1 OH:1 - - + + O + CH3OH [=] OH + CH2OH - O:1 CH3OH:1 - OH:1 CH2OH:1 - - 388000 2.5 3100 + + + 3.880000E+05 + 2.5 + 3100.000000 + + CH3OH:1 O:1 + CH2OH:1 OH:1 - - + + O + CH3OH [=] OH + CH3O - O:1 CH3OH:1 - OH:1 CH3O:1 - - 130000 2.5 5000 + + + 1.300000E+05 + 2.5 + 5000.000000 + + CH3OH:1 O:1 + CH3O:1 OH:1 - - + + O + C2H [=] CH + CO - O:1 C2H:1 - CH:1 CO:1 - - 5e+013 0 0 + + + 5.000000E+13 + 0 + 0.000000 + + C2H:1 O:1 + CH:1 CO:1 - - + + O + C2H2 [=] H + HCCO - O:1 C2H2:1 - H:1 HCCO:1 - - 1.35e+007 2 1900 + + + 1.350000E+07 + 2 + 1900.000000 + + C2H2:1 O:1 + H:1 HCCO:1 - - + + O + C2H2 [=] OH + C2H - O:1 C2H2:1 - OH:1 C2H:1 - - 4.6e+019 -1.41 28950 + + + 4.600000E+19 + -1.4099999999999999 + 28950.000000 + + C2H2:1 O:1 + C2H:1 OH:1 - - + + O + C2H2 [=] CO + CH2 - O:1 C2H2:1 - CO:1 CH2:1 - - 6.94e+006 2 1900 + + + 6.940000E+06 + 2 + 1900.000000 + + C2H2:1 O:1 + CH2:1 CO:1 - - + + O + C2H3 [=] H + CH2CO - O:1 C2H3:1 - H:1 CH2CO:1 - - 3e+013 0 0 + + + 3.000000E+13 + 0 + 0.000000 + + C2H3:1 O:1 + H:1 CH2CO:1 - - + + O + C2H4 [=] CH3 + HCO - O:1 C2H4:1 - CH3:1 HCO:1 - - 1.25e+007 1.83 220 + + + 1.250000E+07 + 1.8300000000000001 + 220.000000 + + C2H4:1 O:1 + CH3:1 HCO:1 - - + + O + C2H5 [=] CH3 + CH2O - O:1 C2H5:1 - CH3:1 CH2O:1 - - 2.24e+013 0 0 + + + 2.240000E+13 + 0 + 0.000000 + + C2H5:1 O:1 + CH2O:1 CH3:1 - - + + O + C2H6 [=] OH + C2H5 - O:1 C2H6:1 - OH:1 C2H5:1 - - 8.98e+007 1.92 5690 + + + 8.980000E+07 + 1.9199999999999999 + 5690.000000 + + C2H6:1 O:1 + C2H5:1 OH:1 - - + + O + HCCO [=] H + 2 CO - O:1 HCCO:1 - H:1 CO:2 - - 1e+014 0 0 + + + 1.000000E+14 + 0 + 0.000000 + + HCCO:1 O:1 + H:1 CO:2 - - + + O + CH2CO [=] OH + HCCO - O:1 CH2CO:1 - OH:1 HCCO:1 - - 1e+013 0 8000 + + + 1.000000E+13 + 0 + 8000.000000 + + CH2CO:1 O:1 + HCCO:1 OH:1 - - + + O + CH2CO [=] CH2 + CO2 - O:1 CH2CO:1 - CH2:1 CO2:1 - - 1.75e+012 0 1350 + + + 1.750000E+12 + 0 + 1350.000000 + + CH2CO:1 O:1 + CH2:1 CO2:1 - - + + O2 + CO [=] O + CO2 - O2:1 CO:1 - O:1 CO2:1 - - 2.5e+012 0 47800 + + + 2.500000E+12 + 0 + 47800.000000 + + CO:1 O2:1 + CO2:1 O:1 - - + + O2 + CH2O [=] HO2 + HCO - O2:1 CH2O:1 - HO2:1 HCO:1 - - 1e+014 0 40000 + + + 1.000000E+14 + 0 + 40000.000000 + + CH2O:1 O2:1 + HO2:1 HCO:1 - - + + 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 - + + + 2.800000E+18 + -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 - H:1 O2:2 - HO2:1 O2:1 - - 2.08e+019 -1.24 0 + + + 2.080000E+19 + -1.24 + 0.000000 + + H:1 O2:2 + HO2:1 O2:1 - - + + H + O2 + H2O [=] HO2 + H2O - H:1 O2:1 H2O:1 - HO2:1 H2O:1 - - 1.126e+019 -0.76 0 + + + 1.126000E+19 + -0.76000000000000001 + 0.000000 + + H:1 H2O:1 O2:1 + H2O:1 HO2:1 - - + + H + O2 + N2 [=] HO2 + N2 - H:1 O2:1 N2:1 - HO2:1 N2:1 - - 2.6e+019 -1.24 0 + + + 2.600000E+19 + -1.24 + 0.000000 + + H:1 N2:1 O2:1 + N2:1 HO2:1 - - + + H + O2 + AR [=] HO2 + AR - H:1 O2:1 AR:1 - HO2:1 AR:1 - - 7e+017 -0.8 0 + + + 7.000000E+17 + -0.80000000000000004 + 0.000000 + + H:1 AR:1 O2:1 + AR:1 HO2:1 - - + + H + O2 [=] O + OH - H:1 O2:1 - O:1 OH:1 - - 2.65e+016 -0.6707 17041 + + + 2.650000E+16 + -0.67069999999999996 + 17041.000000 + + H:1 O2:1 + O:1 OH:1 - - + + 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 - + + + 1.000000E+18 + -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 - H:2 H2:1 - H2:2 - - 9e+016 -0.6 0 + + + 9.000000E+16 + -0.59999999999999998 + 0.000000 + + H2:1 H:2 + H2:2 - - + + 2 H + H2O [=] H2 + H2O - H:2 H2O:1 - H2:1 H2O:1 - - 6e+019 -1.25 0 + + + 6.000000E+19 + -1.25 + 0.000000 + + H:2 H2O:1 + H2:1 H2O:1 - - + + 2 H + CO2 [=] H2 + CO2 - H:2 CO2:1 - H2:1 CO2:1 - - 5.5e+020 -2 0 + + + 5.500000E+20 + -2 + 0.000000 + + H:2 CO2:1 + H2:1 CO2:1 - - + + 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 - + + + 2.200000E+22 + -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 - H:1 HO2:1 - O:1 H2O:1 - - 3.97e+012 0 671 + + + 3.970000E+12 + 0 + 671.000000 + + H:1 HO2:1 + H2O:1 O:1 - - + + H + HO2 [=] O2 + H2 - H:1 HO2:1 - O2:1 H2:1 - - 4.48e+013 0 1068 + + + 4.480000E+13 + 0 + 1068.000000 + + H:1 HO2:1 + H2:1 O2:1 - - + + H + HO2 [=] 2 OH - H:1 HO2:1 - OH:2 - - 8.4e+013 0 635 + + + 8.400000E+13 + 0 + 635.000000 + + H:1 HO2:1 + OH:2 - - + + H + H2O2 [=] HO2 + H2 - H:1 H2O2:1 - HO2:1 H2:1 - - 1.21e+007 2 5200 + + + 1.210000E+07 + 2 + 5200.000000 + + H:1 H2O2:1 + H2:1 HO2:1 - - + + H + H2O2 [=] OH + H2O - H:1 H2O2:1 - OH:1 H2O:1 - - 1e+013 0 3600 + + + 1.000000E+13 + 0 + 3600.000000 + + H:1 H2O2:1 + H2O:1 OH:1 - - + + H + CH [=] C + H2 - H:1 CH:1 - C:1 H2:1 - - 1.65e+014 0 0 + + + 1.650000E+14 + 0 + 0.000000 + + H:1 CH:1 + H2:1 C:1 - - + + 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 - + + + 6.000000E+14 + 0 + 0.000000 + + + 1.040000E+26 + -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 - H:1 CH2(S):1 - CH:1 H2:1 - - 3e+013 0 0 + + + 3.000000E+13 + 0 + 0.000000 + + H:1 CH2(S):1 + H2:1 CH:1 - - + + 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 - + + + 1.390000E+16 + -0.53400000000000003 + 536.000000 + + + 2.620000E+33 + -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 - H:1 CH4:1 - CH3:1 H2:1 - - 6.6e+008 1.62 10840 + + + 6.600000E+08 + 1.6200000000000001 + 10840.000000 + + H:1 CH4:1 + H2:1 CH3:1 - - + + 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 - + + + 1.090000E+12 + 0.47999999999999998 + -260.000000 + + + 2.470000E+24 + -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 - H:1 HCO:1 - H2:1 CO:1 - - 7.34e+013 0 0 + + + 7.340000E+13 + 0 + 0.000000 + + H:1 HCO:1 + H2:1 CO:1 - - + + 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 - + + + 5.400000E+11 + 0.45400000000000001 + 3600.000000 + + + 1.270000E+32 + -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) - 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 - + + + 5.400000E+11 + 0.45400000000000001 + 2600.000000 + + + 2.200000E+30 + -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 - H:1 CH2O:1 - HCO:1 H2:1 - - 5.74e+007 1.9 2742 + + + 5.740000E+07 + 1.8999999999999999 + 2742.000000 + + CH2O:1 H:1 + H2:1 HCO:1 - - + + 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 - + + + 1.055000E+12 + 0.5 + 86.000000 + + + 4.360000E+31 + -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 - H:1 CH2OH:1 - H2:1 CH2O:1 - - 2e+013 0 0 + + + 2.000000E+13 + 0 + 0.000000 + + H:1 CH2OH:1 + H2:1 CH2O:1 - - + + H + CH2OH [=] OH + CH3 - H:1 CH2OH:1 - OH:1 CH3:1 - - 1.65e+011 0.65 -284 + + + 1.650000E+11 + 0.65000000000000002 + -284.000000 + + H:1 CH2OH:1 + CH3:1 OH:1 - - + + H + CH2OH [=] CH2(S) + H2O - H:1 CH2OH:1 - CH2(S):1 H2O:1 - - 3.28e+013 -0.09 610 + + + 3.280000E+13 + -0.089999999999999997 + 610.000000 + + H:1 CH2OH:1 + CH2(S):1 H2O:1 - - + + 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 - + + + 2.430000E+12 + 0.51500000000000001 + 50.000000 + + + 4.660000E+41 + -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 - H:1 CH3O:1 - H:1 CH2OH:1 - - 4.15e+007 1.63 1924 + + + 4.150000E+07 + 1.6299999999999999 + 1924.000000 + + H:1 CH3O:1 + H:1 CH2OH:1 - - + + H + CH3O [=] H2 + CH2O - H:1 CH3O:1 - H2:1 CH2O:1 - - 2e+013 0 0 + + + 2.000000E+13 + 0 + 0.000000 + + H:1 CH3O:1 + H2:1 CH2O:1 - - + + H + CH3O [=] OH + CH3 - H:1 CH3O:1 - OH:1 CH3:1 - - 1.5e+012 0.5 -110 + + + 1.500000E+12 + 0.5 + -110.000000 + + H:1 CH3O:1 + CH3:1 OH:1 - - + + H + CH3O [=] CH2(S) + H2O - H:1 CH3O:1 - CH2(S):1 H2O:1 - - 2.62e+014 -0.23 1070 + + + 2.620000E+14 + -0.23000000000000001 + 1070.000000 + + H:1 CH3O:1 + CH2(S):1 H2O:1 - - + + H + CH3OH [=] CH2OH + H2 - H:1 CH3OH:1 - CH2OH:1 H2:1 - - 1.7e+007 2.1 4870 + + + 1.700000E+07 + 2.1000000000000001 + 4870.000000 + + CH3OH:1 H:1 + H2:1 CH2OH:1 - - + + H + CH3OH [=] CH3O + H2 - H:1 CH3OH:1 - CH3O:1 H2:1 - - 4.2e+006 2.1 4870 + + + 4.200000E+06 + 2.1000000000000001 + 4870.000000 + + CH3OH:1 H:1 + H2:1 CH3O:1 - - + + 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 - + + + 1.000000E+17 + -1 + 0.000000 + + + 3.750000E+33 + -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) - 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 - + + + 5.600000E+12 + 0 + 2400.000000 + + + 3.800000E+40 + -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) - 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 - + + + 6.080000E+12 + 0.27000000000000002 + 280.000000 + + + 1.400000E+30 + -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 - H:1 C2H3:1 - H2:1 C2H2:1 - - 3e+013 0 0 + + + 3.000000E+13 + 0 + 0.000000 + + H:1 C2H3:1 + H2:1 C2H2:1 - - + + 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 - + + + 5.400000E+11 + 0.45400000000000001 + 1820.000000 + + + 6.000000E+41 + -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 - H:1 C2H4:1 - C2H3:1 H2:1 - - 1.325e+006 2.53 12240 + + + 1.325000E+06 + 2.5299999999999998 + 12240.000000 + + H:1 C2H4:1 + H2:1 C2H3:1 - - + + 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 - + + + 5.210000E+17 + -0.98999999999999999 + 1580.000000 + + + 1.990000E+41 + -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 - H:1 C2H5:1 - H2:1 C2H4:1 - - 2e+012 0 0 + + + 2.000000E+12 + 0 + 0.000000 + + H:1 C2H5:1 + H2:1 C2H4:1 - - + + H + C2H6 [=] C2H5 + H2 - H:1 C2H6:1 - C2H5:1 H2:1 - - 1.15e+008 1.9 7530 + + + 1.150000E+08 + 1.8999999999999999 + 7530.000000 + + H:1 C2H6:1 + H2:1 C2H5:1 - - + + H + HCCO [=] CH2(S) + CO - H:1 HCCO:1 - CH2(S):1 CO:1 - - 1e+014 0 0 + + + 1.000000E+14 + 0 + 0.000000 + + H:1 HCCO:1 + CH2(S):1 CO:1 - - + + H + CH2CO [=] HCCO + H2 - H:1 CH2CO:1 - HCCO:1 H2:1 - - 5e+013 0 8000 + + + 5.000000E+13 + 0 + 8000.000000 + + H:1 CH2CO:1 + H2:1 HCCO:1 - - + + H + CH2CO [=] CH3 + CO - H:1 CH2CO:1 - CH3:1 CO:1 - - 1.13e+013 0 3428 + + + 1.130000E+13 + 0 + 3428.000000 + + H:1 CH2CO:1 + CH3:1 CO:1 - - + + H + HCCOH [=] H + CH2CO - H:1 HCCOH:1 - H:1 CH2CO:1 - - 1e+013 0 0 + + + 1.000000E+13 + 0 + 0.000000 + + H:1 HCCOH:1 + H:1 CH2CO:1 - - + + 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 - + + + 4.300000E+07 + 1.5 + 79600.000000 + + + 5.070000E+27 + -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 - OH:1 H2:1 - H:1 H2O:1 - - 2.16e+008 1.51 3430 + + + 2.160000E+08 + 1.51 + 3430.000000 + + H2:1 OH:1 + H:1 H2O:1 - - + + 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 - + + + 7.400000E+13 + -0.37 + 0.000000 + + + 2.300000E+18 + -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 - OH:2 - O:1 H2O:1 - - 35700 2.4 -2110 + + + 3.570000E+04 + 2.3999999999999999 + -2110.000000 + + OH:2 + H2O:1 O:1 - - + + OH + HO2 [=] O2 + H2O - OH:1 HO2:1 - O2:1 H2O:1 - - 1.45e+013 0 -500 + + + 1.450000E+13 + 0 + -500.000000 + - idtag_rxn_287 + HO2:1 OH:1 + H2O:1 O2:1 - - + + OH + H2O2 [=] HO2 + H2O - OH:1 H2O2:1 - HO2:1 H2O:1 - - 2e+012 0 427 + + + 2.000000E+12 + 0 + 427.000000 + - idtag_rxn_89 + H2O2:1 OH:1 + H2O:1 HO2:1 - - + + OH + H2O2 [=] HO2 + H2O - OH:1 H2O2:1 - HO2:1 H2O:1 - - 1.7e+018 0 29410 + + + 1.700000E+18 + 0 + 29410.000000 + - idtag_rxn_88 + H2O2:1 OH:1 + H2O:1 HO2:1 - - + + OH + C [=] H + CO - OH:1 C:1 - H:1 CO:1 - - 5e+013 0 0 + + + 5.000000E+13 + 0 + 0.000000 + + C:1 OH:1 + H:1 CO:1 - - + + OH + CH [=] H + HCO - OH:1 CH:1 - H:1 HCO:1 - - 3e+013 0 0 + + + 3.000000E+13 + 0 + 0.000000 + + CH:1 OH:1 + H:1 HCO:1 - - + + OH + CH2 [=] H + CH2O - OH:1 CH2:1 - H:1 CH2O:1 - - 2e+013 0 0 + + + 2.000000E+13 + 0 + 0.000000 + + CH2:1 OH:1 + CH2O:1 H:1 - - + + OH + CH2 [=] CH + H2O - OH:1 CH2:1 - CH:1 H2O:1 - - 1.13e+007 2 3000 + + + 1.130000E+07 + 2 + 3000.000000 + + CH2:1 OH:1 + H2O:1 CH:1 - - + + OH + CH2(S) [=] H + CH2O - OH:1 CH2(S):1 - H:1 CH2O:1 - - 3e+013 0 0 + + + 3.000000E+13 + 0 + 0.000000 + + CH2(S):1 OH:1 + CH2O:1 H:1 - - + + 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 - + + + 2.790000E+18 + -1.4299999999999999 + 1330.000000 + + + 4.000000E+36 + -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 - OH:1 CH3:1 - CH2:1 H2O:1 - - 5.6e+007 1.6 5420 + + + 5.600000E+07 + 1.6000000000000001 + 5420.000000 + + CH3:1 OH:1 + CH2:1 H2O:1 - - + + OH + CH3 [=] CH2(S) + H2O - OH:1 CH3:1 - CH2(S):1 H2O:1 - - 6.44e+017 -1.34 1417 + + + 6.440000E+17 + -1.3400000000000001 + 1417.000000 + + CH3:1 OH:1 + CH2(S):1 H2O:1 - - + + OH + CH4 [=] CH3 + H2O - OH:1 CH4:1 - CH3:1 H2O:1 - - 1e+008 1.6 3120 + + + 1.000000E+08 + 1.6000000000000001 + 3120.000000 + + CH4:1 OH:1 + H2O:1 CH3:1 - - + + OH + CO [=] H + CO2 - OH:1 CO:1 - H:1 CO2:1 - - 4.76e+007 1.228 70 + + + 4.760000E+07 + 1.228 + 70.000000 + + CO:1 OH:1 + H:1 CO2:1 - - + + OH + HCO [=] H2O + CO - OH:1 HCO:1 - H2O:1 CO:1 - - 5e+013 0 0 + + + 5.000000E+13 + 0 + 0.000000 + + HCO:1 OH:1 + H2O:1 CO:1 - - + + OH + CH2O [=] HCO + H2O - OH:1 CH2O:1 - HCO:1 H2O:1 - - 3.43e+009 1.18 -447 + + + 3.430000E+09 + 1.1799999999999999 + -447.000000 + + CH2O:1 OH:1 + H2O:1 HCO:1 - - + + OH + CH2OH [=] H2O + CH2O - OH:1 CH2OH:1 - H2O:1 CH2O:1 - - 5e+012 0 0 + + + 5.000000E+12 + 0 + 0.000000 + + CH2OH:1 OH:1 + CH2O:1 H2O:1 - - + + OH + CH3O [=] H2O + CH2O - OH:1 CH3O:1 - H2O:1 CH2O:1 - - 5e+012 0 0 + + + 5.000000E+12 + 0 + 0.000000 + + CH3O:1 OH:1 + CH2O:1 H2O:1 - - + + OH + CH3OH [=] CH2OH + H2O - OH:1 CH3OH:1 - CH2OH:1 H2O:1 - - 1.44e+006 2 -840 + + + 1.440000E+06 + 2 + -840.000000 + + CH3OH:1 OH:1 + CH2OH:1 H2O:1 - - + + OH + CH3OH [=] CH3O + H2O - OH:1 CH3OH:1 - CH3O:1 H2O:1 - - 6.3e+006 2 1500 + + + 6.300000E+06 + 2 + 1500.000000 + + CH3OH:1 OH:1 + H2O:1 CH3O:1 - - + + OH + C2H [=] H + HCCO - OH:1 C2H:1 - H:1 HCCO:1 - - 2e+013 0 0 + + + 2.000000E+13 + 0 + 0.000000 + + C2H:1 OH:1 + H:1 HCCO:1 - - + + OH + C2H2 [=] H + CH2CO - OH:1 C2H2:1 - H:1 CH2CO:1 - - 0.000218 4.5 -1000 + + + 2.180000E-04 + 4.5 + -1000.000000 + + C2H2:1 OH:1 + H:1 CH2CO:1 - - + + OH + C2H2 [=] H + HCCOH - OH:1 C2H2:1 - H:1 HCCOH:1 - - 504000 2.3 13500 + + + 5.040000E+05 + 2.2999999999999998 + 13500.000000 + + C2H2:1 OH:1 + H:1 HCCOH:1 - - + + OH + C2H2 [=] C2H + H2O - OH:1 C2H2:1 - C2H:1 H2O:1 - - 3.37e+007 2 14000 + + + 3.370000E+07 + 2 + 14000.000000 + + C2H2:1 OH:1 + C2H:1 H2O:1 - - + + OH + C2H2 [=] CH3 + CO - OH:1 C2H2:1 - CH3:1 CO:1 - - 0.000483 4 -2000 + + + 4.830000E-04 + 4 + -2000.000000 + + C2H2:1 OH:1 + CH3:1 CO:1 - - + + OH + C2H3 [=] H2O + C2H2 - OH:1 C2H3:1 - H2O:1 C2H2:1 - - 5e+012 0 0 + + + 5.000000E+12 + 0 + 0.000000 + + C2H3:1 OH:1 + H2O:1 C2H2:1 - - + + OH + C2H4 [=] C2H3 + H2O - OH:1 C2H4:1 - C2H3:1 H2O:1 - - 3.6e+006 2 2500 + + + 3.600000E+06 + 2 + 2500.000000 + + C2H4:1 OH:1 + H2O:1 C2H3:1 - - + + OH + C2H6 [=] C2H5 + H2O - OH:1 C2H6:1 - C2H5:1 H2O:1 - - 3.54e+006 2.12 870 + + + 3.540000E+06 + 2.1200000000000001 + 870.000000 + + C2H6:1 OH:1 + C2H5:1 H2O:1 - - + + OH + CH2CO [=] HCCO + H2O - OH:1 CH2CO:1 - HCCO:1 H2O:1 - - 7.5e+012 0 2000 + + + 7.500000E+12 + 0 + 2000.000000 + + CH2CO:1 OH:1 + H2O:1 HCCO:1 - - + + 2 HO2 [=] O2 + H2O2 - HO2:2 - O2:1 H2O2:1 - - 1.3e+011 0 -1630 + + + 1.300000E+11 + 0 + -1630.000000 + - idtag_rxn_116 + HO2:2 + O2:1 H2O2:1 - - + + 2 HO2 [=] O2 + H2O2 - HO2:2 - O2:1 H2O2:1 - - 4.2e+014 0 12000 + + + 4.200000E+14 + 0 + 12000.000000 + - idtag_rxn_115 + HO2:2 + O2:1 H2O2:1 - - + + HO2 + CH2 [=] OH + CH2O - HO2:1 CH2:1 - OH:1 CH2O:1 - - 2e+013 0 0 + + + 2.000000E+13 + 0 + 0.000000 + + CH2:1 HO2:1 + CH2O:1 OH:1 - - + + HO2 + CH3 [=] O2 + CH4 - HO2:1 CH3:1 - O2:1 CH4:1 - - 1e+012 0 0 + + + 1.000000E+12 + 0 + 0.000000 + + CH3:1 HO2:1 + CH4:1 O2:1 - - + + HO2 + CH3 [=] OH + CH3O - HO2:1 CH3:1 - OH:1 CH3O:1 - - 3.78e+013 0 0 + + + 3.780000E+13 + 0 + 0.000000 + + CH3:1 HO2:1 + CH3O:1 OH:1 - - + + HO2 + CO [=] OH + CO2 - HO2:1 CO:1 - OH:1 CO2:1 - - 1.5e+014 0 23600 + + + 1.500000E+14 + 0 + 23600.000000 + + CO:1 HO2:1 + CO2:1 OH:1 - - + + HO2 + CH2O [=] HCO + H2O2 - HO2:1 CH2O:1 - HCO:1 H2O2:1 - - 5.6e+006 2 12000 + + + 5.600000E+06 + 2 + 12000.000000 + + CH2O:1 HO2:1 + HCO:1 H2O2:1 - - + + C + O2 [=] O + CO - C:1 O2:1 - O:1 CO:1 - - 5.8e+013 0 576 + + + 5.800000E+13 + 0 + 576.000000 + + C:1 O2:1 + CO:1 O:1 - - + + C + CH2 [=] H + C2H - C:1 CH2:1 - H:1 C2H:1 - - 5e+013 0 0 + + + 5.000000E+13 + 0 + 0.000000 + + C:1 CH2:1 + H:1 C2H:1 - - + + C + CH3 [=] H + C2H2 - C:1 CH3:1 - H:1 C2H2:1 - - 5e+013 0 0 + + + 5.000000E+13 + 0 + 0.000000 + + C:1 CH3:1 + H:1 C2H2:1 - - + + CH + O2 [=] O + HCO - CH:1 O2:1 - O:1 HCO:1 - - 6.71e+013 0 0 + + + 6.710000E+13 + 0 + 0.000000 + + CH:1 O2:1 + HCO:1 O:1 - - + + CH + H2 [=] H + CH2 - CH:1 H2:1 - H:1 CH2:1 - - 1.08e+014 0 3110 + + + 1.080000E+14 + 0 + 3110.000000 + + H2:1 CH:1 + H:1 CH2:1 - - + + CH + H2O [=] H + CH2O - CH:1 H2O:1 - H:1 CH2O:1 - - 5.71e+012 0 -755 + + + 5.710000E+12 + 0 + -755.000000 + + H2O:1 CH:1 + CH2O:1 H:1 - - + + CH + CH2 [=] H + C2H2 - CH:1 CH2:1 - H:1 C2H2:1 - - 4e+013 0 0 + + + 4.000000E+13 + 0 + 0.000000 + + CH2:1 CH:1 + H:1 C2H2:1 - - + + CH + CH3 [=] H + C2H3 - CH:1 CH3:1 - H:1 C2H3:1 - - 3e+013 0 0 + + + 3.000000E+13 + 0 + 0.000000 + + CH3:1 CH:1 + H:1 C2H3:1 - - + + CH + CH4 [=] H + C2H4 - CH:1 CH4:1 - H:1 C2H4:1 - - 6e+013 0 0 + + + 6.000000E+13 + 0 + 0.000000 + + CH:1 CH4:1 + H:1 C2H4:1 - - + + 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 - + + + 5.000000E+13 + 0 + 0.000000 + + + 2.690000E+28 + -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 - CH:1 CO2:1 - HCO:1 CO:1 - - 1.9e+014 0 15792 + + + 1.900000E+14 + 0 + 15792.000000 + + CH:1 CO2:1 + CO:1 HCO:1 - - + + CH + CH2O [=] H + CH2CO - CH:1 CH2O:1 - H:1 CH2CO:1 - - 9.46e+013 0 -515 + + + 9.460000E+13 + 0 + -515.000000 + + CH2O:1 CH:1 + H:1 CH2CO:1 - - + + CH + HCCO [=] CO + C2H2 - CH:1 HCCO:1 - CO:1 C2H2:1 - - 5e+013 0 0 + + + 5.000000E+13 + 0 + 0.000000 + + CH:1 HCCO:1 + CO:1 C2H2:1 - - + + CH2 + O2 =] OH + H + CO - CH2:1 O2:1 - OH:1 H:1 CO:1 - - 5e+012 0 1500 + + + 5.000000E+12 + 0 + 1500.000000 + + CH2:1 O2:1 + H:1 CO:1 OH:1 - - + + CH2 + H2 [=] H + CH3 - CH2:1 H2:1 - H:1 CH3:1 - - 500000 2 7230 + + + 5.000000E+05 + 2 + 7230.000000 + + H2:1 CH2:1 + H:1 CH3:1 - - + + 2 CH2 [=] H2 + C2H2 - CH2:2 - H2:1 C2H2:1 - - 1.6e+015 0 11944 + + + 1.600000E+15 + 0 + 11944.000000 + + CH2:2 + H2:1 C2H2:1 - - + + CH2 + CH3 [=] H + C2H4 - CH2:1 CH3:1 - H:1 C2H4:1 - - 4e+013 0 0 + + + 4.000000E+13 + 0 + 0.000000 + + CH2:1 CH3:1 + H:1 C2H4:1 - - + + CH2 + CH4 [=] 2 CH3 - CH2:1 CH4:1 - CH3:2 - - 2.46e+006 2 8270 + + + 2.460000E+06 + 2 + 8270.000000 + + CH2:1 CH4:1 + CH3:2 - - + + 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 - + + + 8.100000E+11 + 0.5 + 4510.000000 + + + 2.690000E+33 + -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 - CH2:1 HCCO:1 - C2H3:1 CO:1 - - 3e+013 0 0 + + + 3.000000E+13 + 0 + 0.000000 + + CH2:1 HCCO:1 + CO:1 C2H3:1 - - + + CH2(S) + N2 [=] CH2 + N2 - CH2(S):1 N2:1 - CH2:1 N2:1 - - 1.5e+013 0 600 + + + 1.500000E+13 + 0 + 600.000000 + + CH2(S):1 N2:1 + CH2:1 N2:1 - - + + CH2(S) + AR [=] CH2 + AR - CH2(S):1 AR:1 - CH2:1 AR:1 - - 9e+012 0 600 + + + 9.000000E+12 + 0 + 600.000000 + + CH2(S):1 AR:1 + CH2:1 AR:1 - - + + CH2(S) + O2 [=] H + OH + CO - CH2(S):1 O2:1 - H:1 OH:1 CO:1 - - 2.8e+013 0 0 + + + 2.800000E+13 + 0 + 0.000000 + + CH2(S):1 O2:1 + H:1 CO:1 OH:1 - - + + CH2(S) + O2 [=] CO + H2O - CH2(S):1 O2:1 - CO:1 H2O:1 - - 1.2e+013 0 0 + + + 1.200000E+13 + 0 + 0.000000 + + CH2(S):1 O2:1 + H2O:1 CO:1 - - + + CH2(S) + H2 [=] CH3 + H - CH2(S):1 H2:1 - CH3:1 H:1 - - 7e+013 0 0 + + + 7.000000E+13 + 0 + 0.000000 + + H2:1 CH2(S):1 + H:1 CH3:1 - - + + 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 - + + + 4.820000E+17 + -1.1599999999999999 + 1145.000000 + + + 1.880000E+38 + -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 - CH2(S):1 H2O:1 - CH2:1 H2O:1 - - 3e+013 0 0 + + + 3.000000E+13 + 0 + 0.000000 + + CH2(S):1 H2O:1 + CH2:1 H2O:1 - - + + CH2(S) + CH3 [=] H + C2H4 - CH2(S):1 CH3:1 - H:1 C2H4:1 - - 1.2e+013 0 -570 + + + 1.200000E+13 + 0 + -570.000000 + + CH2(S):1 CH3:1 + H:1 C2H4:1 - - + + CH2(S) + CH4 [=] 2 CH3 - CH2(S):1 CH4:1 - CH3:2 - - 1.6e+013 0 -570 + + + 1.600000E+13 + 0 + -570.000000 + + CH2(S):1 CH4:1 + CH3:2 - - + + CH2(S) + CO [=] CH2 + CO - CH2(S):1 CO:1 - CH2:1 CO:1 - - 9e+012 0 0 + + + 9.000000E+12 + 0 + 0.000000 + + CH2(S):1 CO:1 + CH2:1 CO:1 - - + + CH2(S) + CO2 [=] CH2 + CO2 - CH2(S):1 CO2:1 - CH2:1 CO2:1 - - 7e+012 0 0 + + + 7.000000E+12 + 0 + 0.000000 + + CH2(S):1 CO2:1 + CH2:1 CO2:1 - - + + CH2(S) + CO2 [=] CO + CH2O - CH2(S):1 CO2:1 - CO:1 CH2O:1 - - 1.4e+013 0 0 + + + 1.400000E+13 + 0 + 0.000000 + + CH2(S):1 CO2:1 + CH2O:1 CO:1 - - + + CH2(S) + C2H6 [=] CH3 + C2H5 - CH2(S):1 C2H6:1 - CH3:1 C2H5:1 - - 4e+013 0 -550 + + + 4.000000E+13 + 0 + -550.000000 + + CH2(S):1 C2H6:1 + C2H5:1 CH3:1 - - + + CH3 + O2 [=] O + CH3O - CH3:1 O2:1 - O:1 CH3O:1 - - 3.56e+013 0 30480 + + + 3.560000E+13 + 0 + 30480.000000 + + CH3:1 O2:1 + CH3O:1 O:1 - - + + CH3 + O2 [=] OH + CH2O - CH3:1 O2:1 - OH:1 CH2O:1 - - 2.31e+012 0 20315 + + + 2.310000E+12 + 0 + 20315.000000 + + CH3:1 O2:1 + CH2O:1 OH:1 - - + + CH3 + H2O2 [=] HO2 + CH4 - CH3:1 H2O2:1 - HO2:1 CH4:1 - - 24500 2.47 5180 + + + 2.450000E+04 + 2.4700000000000002 + 5180.000000 + + CH3:1 H2O2:1 + CH4:1 HO2:1 - - + + 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 - + + + 6.770000E+16 + -1.1799999999999999 + 654.000000 + + + 3.400000E+41 + -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 - CH3:2 - H:1 C2H5:1 - - 6.84e+012 0.1 10600 + + + 6.840000E+12 + 0.10000000000000001 + 10600.000000 + + CH3:2 + H:1 C2H5:1 - - + + CH3 + HCO [=] CH4 + CO - CH3:1 HCO:1 - CH4:1 CO:1 - - 2.648e+013 0 0 + + + 2.648000E+13 + 0 + 0.000000 + + CH3:1 HCO:1 + CO:1 CH4:1 - - + + CH3 + CH2O [=] HCO + CH4 - CH3:1 CH2O:1 - HCO:1 CH4:1 - - 3320 2.81 5860 + + + 3.320000E+03 + 2.8100000000000001 + 5860.000000 + + CH2O:1 CH3:1 + CH4:1 HCO:1 - - + + CH3 + CH3OH [=] CH2OH + CH4 - CH3:1 CH3OH:1 - CH2OH:1 CH4:1 - - 3e+007 1.5 9940 + + + 3.000000E+07 + 1.5 + 9940.000000 + + CH3OH:1 CH3:1 + CH2OH:1 CH4:1 - - + + CH3 + CH3OH [=] CH3O + CH4 - CH3:1 CH3OH:1 - CH3O:1 CH4:1 - - 1e+007 1.5 9940 + + + 1.000000E+07 + 1.5 + 9940.000000 + + CH3OH:1 CH3:1 + CH3O:1 CH4:1 - - + + CH3 + C2H4 [=] C2H3 + CH4 - CH3:1 C2H4:1 - C2H3:1 CH4:1 - - 227000 2 9200 + + + 2.270000E+05 + 2 + 9200.000000 + + CH3:1 C2H4:1 + CH4:1 C2H3:1 - - + + CH3 + C2H6 [=] C2H5 + CH4 - CH3:1 C2H6:1 - C2H5:1 CH4:1 - - 6.14e+006 1.74 10450 + + + 6.140000E+06 + 1.74 + 10450.000000 + + C2H6:1 CH3:1 + C2H5:1 CH4:1 - - + + HCO + H2O [=] H + CO + H2O - HCO:1 H2O:1 - H:1 CO:1 H2O:1 - - 1.5e+018 -1 17000 + + + 1.500000E+18 + -1 + 17000.000000 + + H2O:1 HCO:1 + H:1 H2O:1 CO:1 - - + + 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 - + + + 1.870000E+17 + -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 - HCO:1 O2:1 - HO2:1 CO:1 - - 1.345e+013 0 400 + + + 1.345000E+13 + 0 + 400.000000 + + HCO:1 O2:1 + CO:1 HO2:1 - - + + CH2OH + O2 [=] HO2 + CH2O - CH2OH:1 O2:1 - HO2:1 CH2O:1 - - 1.8e+013 0 900 + + + 1.800000E+13 + 0 + 900.000000 + + CH2OH:1 O2:1 + CH2O:1 HO2:1 - - + + CH3O + O2 [=] HO2 + CH2O - CH3O:1 O2:1 - HO2:1 CH2O:1 - - 4.28e-013 7.6 -3530 + + + 4.280000E-13 + 7.5999999999999996 + -3530.000000 + + CH3O:1 O2:1 + CH2O:1 HO2:1 - - + + C2H + O2 [=] HCO + CO - C2H:1 O2:1 - HCO:1 CO:1 - - 1e+013 0 -755 + + + 1.000000E+13 + 0 + -755.000000 + + C2H:1 O2:1 + CO:1 HCO:1 - - + + C2H + H2 [=] H + C2H2 - C2H:1 H2:1 - H:1 C2H2:1 - - 5.68e+010 0.9 1993 + + + 5.680000E+10 + 0.90000000000000002 + 1993.000000 + + H2:1 C2H:1 + H:1 C2H2:1 - - + + C2H3 + O2 [=] HCO + CH2O - C2H3:1 O2:1 - HCO:1 CH2O:1 - - 4.58e+016 -1.39 1015 + + + 4.580000E+16 + -1.3899999999999999 + 1015.000000 + + C2H3:1 O2:1 + CH2O:1 HCO:1 - - + + 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 - + + + 8.000000E+12 + 0.44 + 86770.000000 + + + 1.580000E+51 + -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 - C2H5:1 O2:1 - HO2:1 C2H4:1 - - 8.4e+011 0 3875 + + + 8.400000E+11 + 0 + 3875.000000 + + C2H5:1 O2:1 + C2H4:1 HO2:1 - - + + HCCO + O2 [=] OH + 2 CO - HCCO:1 O2:1 - OH:1 CO:2 - - 3.2e+012 0 854 + + + 3.200000E+12 + 0 + 854.000000 + + HCCO:1 O2:1 + CO:2 OH:1 - - + + 2 HCCO [=] 2 CO + C2H2 - HCCO:2 - CO:2 C2H2:1 - - 1e+013 0 0 + + + 1.000000E+13 + 0 + 0.000000 + + HCCO:2 + CO:2 C2H2:1 - - + + N + NO [=] N2 + O - N:1 NO:1 - N2:1 O:1 - - 2.7e+013 0 355 + + + 2.700000E+13 + 0 + 355.000000 + + NO:1 N:1 + N2:1 O:1 - - + + N + O2 [=] NO + O - N:1 O2:1 - NO:1 O:1 - - 9e+009 1 6500 + + + 9.000000E+09 + 1 + 6500.000000 + + O2:1 N:1 + O:1 NO:1 - - + + N + OH [=] NO + H - N:1 OH:1 - NO:1 H:1 - - 3.36e+013 0 385 + + + 3.360000E+13 + 0 + 385.000000 + + OH:1 N:1 + H:1 NO:1 - - + + N2O + O [=] N2 + O2 - N2O:1 O:1 - N2:1 O2:1 - - 1.4e+012 0 10810 + + + 1.400000E+12 + 0 + 10810.000000 + + N2O:1 O:1 + N2:1 O2:1 - - + + N2O + O [=] 2 NO - N2O:1 O:1 - NO:2 - - 2.9e+013 0 23150 + + + 2.900000E+13 + 0 + 23150.000000 + + N2O:1 O:1 + NO:2 - - + + N2O + H [=] N2 + OH - N2O:1 H:1 - N2:1 OH:1 - - 3.87e+014 0 18880 + + + 3.870000E+14 + 0 + 18880.000000 + + H:1 N2O:1 + N2:1 OH:1 - - + + N2O + OH [=] N2 + HO2 - N2O:1 OH:1 - N2:1 HO2:1 - - 2e+012 0 21060 + + + 2.000000E+12 + 0 + 21060.000000 + + N2O:1 OH:1 + N2:1 HO2:1 - - + + N2O (+ M) [=] N2 + O (+ M) - N2O:1 - N2:1 O:1 - - 7.91e+010 0 56020 - 6.37e+014 0 56640 + + + 7.910000E+10 + 0 + 56020.000000 + + + 6.370000E+14 + 0 + 56640.000000 + + AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - 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 - HO2:1 NO:1 - NO2:1 OH:1 - - 2.11e+012 0 -480 + + + 2.110000E+12 + 0 + -480.000000 + + HO2:1 NO:1 + NO2:1 OH:1 - - + + 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 - + + + 1.060000E+20 + -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 - NO2:1 O:1 - NO:1 O2:1 - - 3.9e+012 0 -240 + + + 3.900000E+12 + 0 + -240.000000 + + O:1 NO2:1 + O2:1 NO:1 - - + + NO2 + H [=] NO + OH - NO2:1 H:1 - NO:1 OH:1 - - 1.32e+014 0 360 + + + 1.320000E+14 + 0 + 360.000000 + + H:1 NO2:1 + OH:1 NO:1 - - + + NH + O [=] NO + H - NH:1 O:1 - NO:1 H:1 - - 4e+013 0 0 + + + 4.000000E+13 + 0 + 0.000000 + + NH:1 O:1 + H:1 NO:1 - - + + NH + H [=] N + H2 - NH:1 H:1 - N:1 H2:1 - - 3.2e+013 0 330 + + + 3.200000E+13 + 0 + 330.000000 + + NH:1 H:1 + H2:1 N:1 - - + + NH + OH [=] HNO + H - NH:1 OH:1 - HNO:1 H:1 - - 2e+013 0 0 + + + 2.000000E+13 + 0 + 0.000000 + + NH:1 OH:1 + H:1 HNO:1 - - + + NH + OH [=] N + H2O - NH:1 OH:1 - N:1 H2O:1 - - 2e+009 1.2 0 + + + 2.000000E+09 + 1.2 + 0.000000 + + NH:1 OH:1 + H2O:1 N:1 - - + + NH + O2 [=] HNO + O - NH:1 O2:1 - HNO:1 O:1 - - 461000 2 6500 + + + 4.610000E+05 + 2 + 6500.000000 + + NH:1 O2:1 + O:1 HNO:1 - - + + NH + O2 [=] NO + OH - NH:1 O2:1 - NO:1 OH:1 - - 1.28e+006 1.5 100 + + + 1.280000E+06 + 1.5 + 100.000000 + + NH:1 O2:1 + OH:1 NO:1 - - + + NH + N [=] N2 + H - NH:1 N:1 - N2:1 H:1 - - 1.5e+013 0 0 + + + 1.500000E+13 + 0 + 0.000000 + + NH:1 N:1 + H:1 N2:1 - - + + NH + H2O [=] HNO + H2 - NH:1 H2O:1 - HNO:1 H2:1 - - 2e+013 0 13850 + + + 2.000000E+13 + 0 + 13850.000000 + + NH:1 H2O:1 + H2:1 HNO:1 - - + + NH + NO [=] N2 + OH - NH:1 NO:1 - N2:1 OH:1 - - 2.16e+013 -0.23 0 + + + 2.160000E+13 + -0.23000000000000001 + 0.000000 + + NH:1 NO:1 + N2:1 OH:1 - - + + NH + NO [=] N2O + H - NH:1 NO:1 - N2O:1 H:1 - - 3.65e+014 -0.45 0 + + + 3.650000E+14 + -0.45000000000000001 + 0.000000 + + NH:1 NO:1 + H:1 N2O:1 - - + + NH2 + O [=] OH + NH - NH2:1 O:1 - OH:1 NH:1 - - 3e+012 0 0 + + + 3.000000E+12 + 0 + 0.000000 + + O:1 NH2:1 + NH:1 OH:1 - - + + NH2 + O [=] H + HNO - NH2:1 O:1 - H:1 HNO:1 - - 3.9e+013 0 0 + + + 3.900000E+13 + 0 + 0.000000 + + O:1 NH2:1 + H:1 HNO:1 - - + + NH2 + H [=] NH + H2 - NH2:1 H:1 - NH:1 H2:1 - - 4e+013 0 3650 + + + 4.000000E+13 + 0 + 3650.000000 + + H:1 NH2:1 + NH:1 H2:1 - - + + NH2 + OH [=] NH + H2O - NH2:1 OH:1 - NH:1 H2O:1 - - 9e+007 1.5 -460 + + + 9.000000E+07 + 1.5 + -460.000000 + + OH:1 NH2:1 + NH:1 H2O:1 - - + + NNH [=] N2 + H - NNH:1 - N2:1 H:1 - - 3.3e+008 0 0 + + + 3.300000E+08 + 0 + 0.000000 + + NNH:1 + H:1 N2:1 - - + + 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 - + + + 1.300000E+14 + -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 - NNH:1 O2:1 - HO2:1 N2:1 - - 5e+012 0 0 + + + 5.000000E+12 + 0 + 0.000000 + + O2:1 NNH:1 + N2:1 HO2:1 - - + + NNH + O [=] OH + N2 - NNH:1 O:1 - OH:1 N2:1 - - 2.5e+013 0 0 + + + 2.500000E+13 + 0 + 0.000000 + + O:1 NNH:1 + N2:1 OH:1 - - + + NNH + O [=] NH + NO - NNH:1 O:1 - NH:1 NO:1 - - 7e+013 0 0 + + + 7.000000E+13 + 0 + 0.000000 + + O:1 NNH:1 + NH:1 NO:1 - - + + NNH + H [=] H2 + N2 - NNH:1 H:1 - H2:1 N2:1 - - 5e+013 0 0 + + + 5.000000E+13 + 0 + 0.000000 + + H:1 NNH:1 + H2:1 N2:1 - - + + NNH + OH [=] H2O + N2 - NNH:1 OH:1 - H2O:1 N2:1 - - 2e+013 0 0 + + + 2.000000E+13 + 0 + 0.000000 + + OH:1 NNH:1 + H2O:1 N2:1 - - + + NNH + CH3 [=] CH4 + N2 - NNH:1 CH3:1 - CH4:1 N2:1 - - 2.5e+013 0 0 + + + 2.500000E+13 + 0 + 0.000000 + + CH3:1 NNH:1 + N2:1 CH4:1 - - + + 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 - + + + 4.480000E+19 + -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 - HNO:1 O:1 - NO:1 OH:1 - - 2.5e+013 0 0 + + + 2.500000E+13 + 0 + 0.000000 + + O:1 HNO:1 + OH:1 NO:1 - - + + HNO + H [=] H2 + NO - HNO:1 H:1 - H2:1 NO:1 - - 9e+011 0.72 660 + + + 9.000000E+11 + 0.71999999999999997 + 660.000000 + + H:1 HNO:1 + H2:1 NO:1 - - + + HNO + OH [=] NO + H2O - HNO:1 OH:1 - NO:1 H2O:1 - - 1.3e+007 1.9 -950 + + + 1.300000E+07 + 1.8999999999999999 + -950.000000 + + HNO:1 OH:1 + H2O:1 NO:1 - - + + HNO + O2 [=] HO2 + NO - HNO:1 O2:1 - HO2:1 NO:1 - - 1e+013 0 13000 + + + 1.000000E+13 + 0 + 13000.000000 + + O2:1 HNO:1 + HO2:1 NO:1 - - + + CN + O [=] CO + N - CN:1 O:1 - CO:1 N:1 - - 7.7e+013 0 0 + + + 7.700000E+13 + 0 + 0.000000 + + CN:1 O:1 + CO:1 N:1 - - + + CN + OH [=] NCO + H - CN:1 OH:1 - NCO:1 H:1 - - 4e+013 0 0 + + + 4.000000E+13 + 0 + 0.000000 + + CN:1 OH:1 + H:1 NCO:1 - - + + CN + H2O [=] HCN + OH - CN:1 H2O:1 - HCN:1 OH:1 - - 8e+012 0 7460 + + + 8.000000E+12 + 0 + 7460.000000 + + H2O:1 CN:1 + HCN:1 OH:1 - - + + CN + O2 [=] NCO + O - CN:1 O2:1 - NCO:1 O:1 - - 6.14e+012 0 -440 + + + 6.140000E+12 + 0 + -440.000000 + + CN:1 O2:1 + O:1 NCO:1 - - + + CN + H2 [=] HCN + H - CN:1 H2:1 - HCN:1 H:1 - - 295000 2.45 2240 + + + 2.950000E+05 + 2.4500000000000002 + 2240.000000 + + H2:1 CN:1 + H:1 HCN:1 - - + + NCO + O [=] NO + CO - NCO:1 O:1 - NO:1 CO:1 - - 2.35e+013 0 0 + + + 2.350000E+13 + 0 + 0.000000 + + O:1 NCO:1 + CO:1 NO:1 - - + + NCO + H [=] NH + CO - NCO:1 H:1 - NH:1 CO:1 - - 5.4e+013 0 0 + + + 5.400000E+13 + 0 + 0.000000 + + H:1 NCO:1 + NH:1 CO:1 - - + + NCO + OH [=] NO + H + CO - NCO:1 OH:1 - NO:1 H:1 CO:1 - - 2.5e+012 0 0 + + + 2.500000E+12 + 0 + 0.000000 + + OH:1 NCO:1 + H:1 CO:1 NO:1 - - + + NCO + N [=] N2 + CO - NCO:1 N:1 - N2:1 CO:1 - - 2e+013 0 0 + + + 2.000000E+13 + 0 + 0.000000 + + N:1 NCO:1 + N2:1 CO:1 - - + + NCO + O2 [=] NO + CO2 - NCO:1 O2:1 - NO:1 CO2:1 - - 2e+012 0 20000 + + + 2.000000E+12 + 0 + 20000.000000 + + O2:1 NCO:1 + CO2:1 NO:1 - - + + 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 - + + + 3.100000E+14 + 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 - NCO:1 NO:1 - N2O:1 CO:1 - - 1.9e+017 -1.52 740 + + + 1.900000E+17 + -1.52 + 740.000000 + + NO:1 NCO:1 + CO:1 N2O:1 - - + + NCO + NO [=] N2 + CO2 - NCO:1 NO:1 - N2:1 CO2:1 - - 3.8e+018 -2 800 + + + 3.800000E+18 + -2 + 800.000000 + + NO:1 NCO:1 + N2:1 CO2:1 - - + + 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 - + + + 1.040000E+29 + -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 - HCN:1 O:1 - NCO:1 H:1 - - 20300 2.64 4980 + + + 2.030000E+04 + 2.6400000000000001 + 4980.000000 + + HCN:1 O:1 + H:1 NCO:1 - - + + HCN + O [=] NH + CO - HCN:1 O:1 - NH:1 CO:1 - - 5070 2.64 4980 + + + 5.070000E+03 + 2.6400000000000001 + 4980.000000 + + HCN:1 O:1 + NH:1 CO:1 - - + + HCN + O [=] CN + OH - HCN:1 O:1 - CN:1 OH:1 - - 3.91e+009 1.58 26600 + + + 3.910000E+09 + 1.5800000000000001 + 26600.000000 + + HCN:1 O:1 + CN:1 OH:1 - - + + HCN + OH [=] HOCN + H - HCN:1 OH:1 - HOCN:1 H:1 - - 1.1e+006 2.03 13370 + + + 1.100000E+06 + 2.0299999999999998 + 13370.000000 + + HCN:1 OH:1 + HOCN:1 H:1 - - + + HCN + OH [=] HNCO + H - HCN:1 OH:1 - HNCO:1 H:1 - - 4400 2.26 6400 + + + 4.400000E+03 + 2.2599999999999998 + 6400.000000 + + HCN:1 OH:1 + HNCO:1 H:1 - - + + HCN + OH [=] NH2 + CO - HCN:1 OH:1 - NH2:1 CO:1 - - 160 2.56 9000 + + + 1.600000E+02 + 2.5600000000000001 + 9000.000000 + + HCN:1 OH:1 + CO:1 NH2:1 - - + + H + HCN (+ M) [=] H2CN (+ M) - H:1 HCN:1 - H2CN:1 - - 3.3e+013 0 0 - 1.4e+026 -3.4 1900 + + + 3.300000E+13 + 0 + 0.000000 + + + 1.400000E+26 + -3.3999999999999999 + 1900.000000 + + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - 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 - H2CN:1 N:1 - N2:1 CH2:1 - - 6e+013 0 400 + + + 6.000000E+13 + 0 + 400.000000 + + H2CN:1 N:1 + N2:1 CH2:1 - - + + C + N2 [=] CN + N - C:1 N2:1 - CN:1 N:1 - - 6.3e+013 0 46020 + + + 6.300000E+13 + 0 + 46020.000000 + + C:1 N2:1 + CN:1 N:1 - - + + CH + N2 [=] HCN + N - CH:1 N2:1 - HCN:1 N:1 - - 3.12e+009 0.88 20130 + + + 3.120000E+09 + 0.88 + 20130.000000 + + N2:1 CH:1 + HCN:1 N:1 - - + + 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 - + + + 3.100000E+12 + 0.14999999999999999 + 0.000000 + + + 1.300000E+25 + -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 - CH2:1 N2:1 - HCN:1 NH:1 - - 1e+013 0 74000 + + + 1.000000E+13 + 0 + 74000.000000 + + CH2:1 N2:1 + NH:1 HCN:1 - - + + CH2(S) + N2 [=] NH + HCN - CH2(S):1 N2:1 - NH:1 HCN:1 - - 1e+011 0 65000 + + + 1.000000E+11 + 0 + 65000.000000 + + CH2(S):1 N2:1 + NH:1 HCN:1 - - + + C + NO [=] CN + O - C:1 NO:1 - CN:1 O:1 - - 1.9e+013 0 0 + + + 1.900000E+13 + 0 + 0.000000 + + C:1 NO:1 + CN:1 O:1 - - + + C + NO [=] CO + N - C:1 NO:1 - CO:1 N:1 - - 2.9e+013 0 0 + + + 2.900000E+13 + 0 + 0.000000 + + C:1 NO:1 + CO:1 N:1 - - + + CH + NO [=] HCN + O - CH:1 NO:1 - HCN:1 O:1 - - 4.1e+013 0 0 + + + 4.100000E+13 + 0 + 0.000000 + + CH:1 NO:1 + HCN:1 O:1 - - + + CH + NO [=] H + NCO - CH:1 NO:1 - H:1 NCO:1 - - 1.62e+013 0 0 + + + 1.620000E+13 + 0 + 0.000000 + + CH:1 NO:1 + H:1 NCO:1 - - + + CH + NO [=] N + HCO - CH:1 NO:1 - N:1 HCO:1 - - 2.46e+013 0 0 + + + 2.460000E+13 + 0 + 0.000000 + + CH:1 NO:1 + HCO:1 N:1 - - + + CH2 + NO [=] H + HNCO - CH2:1 NO:1 - H:1 HNCO:1 - - 3.1e+017 -1.38 1270 + + + 3.100000E+17 + -1.3799999999999999 + 1270.000000 + + CH2:1 NO:1 + HNCO:1 H:1 - - + + CH2 + NO [=] OH + HCN - CH2:1 NO:1 - OH:1 HCN:1 - - 2.9e+014 -0.69 760 + + + 2.900000E+14 + -0.68999999999999995 + 760.000000 + + CH2:1 NO:1 + HCN:1 OH:1 - - + + CH2 + NO [=] H + HCNO - CH2:1 NO:1 - H:1 HCNO:1 - - 3.8e+013 -0.36 580 + + + 3.800000E+13 + -0.35999999999999999 + 580.000000 + + CH2:1 NO:1 + H:1 HCNO:1 - - + + CH2(S) + NO [=] H + HNCO - CH2(S):1 NO:1 - H:1 HNCO:1 - - 3.1e+017 -1.38 1270 + + + 3.100000E+17 + -1.3799999999999999 + 1270.000000 + + CH2(S):1 NO:1 + HNCO:1 H:1 - - + + CH2(S) + NO [=] OH + HCN - CH2(S):1 NO:1 - OH:1 HCN:1 - - 2.9e+014 -0.69 760 + + + 2.900000E+14 + -0.68999999999999995 + 760.000000 + + CH2(S):1 NO:1 + HCN:1 OH:1 - - + + CH2(S) + NO [=] H + HCNO - CH2(S):1 NO:1 - H:1 HCNO:1 - - 3.8e+013 -0.36 580 + + + 3.800000E+13 + -0.35999999999999999 + 580.000000 + + CH2(S):1 NO:1 + H:1 HCNO:1 - - + + CH3 + NO [=] HCN + H2O - CH3:1 NO:1 - HCN:1 H2O:1 - - 9.6e+013 0 28800 + + + 9.600000E+13 + 0 + 28800.000000 + + CH3:1 NO:1 + H2O:1 HCN:1 - - + + CH3 + NO [=] H2CN + OH - CH3:1 NO:1 - H2CN:1 OH:1 - - 1e+012 0 21750 + + + 1.000000E+12 + 0 + 21750.000000 + + CH3:1 NO:1 + H2CN:1 OH:1 - - + + HCNN + O [=] CO + H + N2 - HCNN:1 O:1 - CO:1 H:1 N2:1 - - 2.2e+013 0 0 + + + 2.200000E+13 + 0 + 0.000000 + + O:1 HCNN:1 + H:1 N2:1 CO:1 - - + + HCNN + O [=] HCN + NO - HCNN:1 O:1 - HCN:1 NO:1 - - 2e+012 0 0 + + + 2.000000E+12 + 0 + 0.000000 + + O:1 HCNN:1 + HCN:1 NO:1 - - + + HCNN + O2 [=] O + HCO + N2 - HCNN:1 O2:1 - O:1 HCO:1 N2:1 - - 1.2e+013 0 0 + + + 1.200000E+13 + 0 + 0.000000 + + O2:1 HCNN:1 + N2:1 HCO:1 O:1 - - + + HCNN + OH [=] H + HCO + N2 - HCNN:1 OH:1 - H:1 HCO:1 N2:1 - - 1.2e+013 0 0 + + + 1.200000E+13 + 0 + 0.000000 + + OH:1 HCNN:1 + H:1 N2:1 HCO:1 - - + + HCNN + H [=] CH2 + N2 - HCNN:1 H:1 - CH2:1 N2:1 - - 1e+014 0 0 + + + 1.000000E+14 + 0 + 0.000000 + + H:1 HCNN:1 + CH2:1 N2:1 - - + + HNCO + O [=] NH + CO2 - HNCO:1 O:1 - NH:1 CO2:1 - - 9.8e+007 1.41 8500 + + + 9.800000E+07 + 1.4099999999999999 + 8500.000000 + + HNCO:1 O:1 + NH:1 CO2:1 - - + + HNCO + O [=] HNO + CO - HNCO:1 O:1 - HNO:1 CO:1 - - 1.5e+008 1.57 44000 + + + 1.500000E+08 + 1.5700000000000001 + 44000.000000 + + HNCO:1 O:1 + CO:1 HNO:1 - - + + HNCO + O [=] NCO + OH - HNCO:1 O:1 - NCO:1 OH:1 - - 2.2e+006 2.11 11400 + + + 2.200000E+06 + 2.1099999999999999 + 11400.000000 + + HNCO:1 O:1 + OH:1 NCO:1 - - + + HNCO + H [=] NH2 + CO - HNCO:1 H:1 - NH2:1 CO:1 - - 2.25e+007 1.7 3800 + + + 2.250000E+07 + 1.7 + 3800.000000 + + HNCO:1 H:1 + CO:1 NH2:1 - - + + HNCO + H [=] H2 + NCO - HNCO:1 H:1 - H2:1 NCO:1 - - 105000 2.5 13300 + + + 1.050000E+05 + 2.5 + 13300.000000 + + HNCO:1 H:1 + H2:1 NCO:1 - - + + HNCO + OH [=] NCO + H2O - HNCO:1 OH:1 - NCO:1 H2O:1 - - 3.3e+007 1.5 3600 + + + 3.300000E+07 + 1.5 + 3600.000000 + + HNCO:1 OH:1 + H2O:1 NCO:1 - - + + HNCO + OH [=] NH2 + CO2 - HNCO:1 OH:1 - NH2:1 CO2:1 - - 3.3e+006 1.5 3600 + + + 3.300000E+06 + 1.5 + 3600.000000 + + HNCO:1 OH:1 + CO2:1 NH2:1 - - + + 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 - + + + 1.180000E+16 + 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 - HCNO:1 H:1 - H:1 HNCO:1 - - 2.1e+015 -0.69 2850 + + + 2.100000E+15 + -0.68999999999999995 + 2850.000000 + + H:1 HCNO:1 + HNCO:1 H:1 - - + + HCNO + H [=] OH + HCN - HCNO:1 H:1 - OH:1 HCN:1 - - 2.7e+011 0.18 2120 + + + 2.700000E+11 + 0.17999999999999999 + 2120.000000 + + H:1 HCNO:1 + HCN:1 OH:1 - - + + HCNO + H [=] NH2 + CO - HCNO:1 H:1 - NH2:1 CO:1 - - 1.7e+014 -0.75 2890 + + + 1.700000E+14 + -0.75 + 2890.000000 + + H:1 HCNO:1 + CO:1 NH2:1 - - + + HOCN + H [=] H + HNCO - HOCN:1 H:1 - H:1 HNCO:1 - - 2e+007 2 2000 + + + 2.000000E+07 + 2 + 2000.000000 + + HOCN:1 H:1 + HNCO:1 H:1 - - + + HCCO + NO [=] HCNO + CO - HCCO:1 NO:1 - HCNO:1 CO:1 - - 9e+012 0 0 + + + 9.000000E+12 + 0 + 0.000000 + + HCCO:1 NO:1 + CO:1 HCNO:1 - - + + CH3 + N [=] H2CN + H - CH3:1 N:1 - H2CN:1 H:1 - - 6.1e+014 -0.31 290 + + + 6.100000E+14 + -0.31 + 290.000000 + + CH3:1 N:1 + H:1 H2CN:1 - - + + CH3 + N [=] HCN + H2 - CH3:1 N:1 - HCN:1 H2:1 - - 3.7e+012 0.15 -90 + + + 3.700000E+12 + 0.14999999999999999 + -90.000000 + + CH3:1 N:1 + H2:1 HCN:1 - - + + NH3 + H [=] NH2 + H2 - NH3:1 H:1 - NH2:1 H2:1 - - 540000 2.4 9915 + + + 5.400000E+05 + 2.3999999999999999 + 9915.000000 + + H:1 NH3:1 + H2:1 NH2:1 - - + + NH3 + OH [=] NH2 + H2O - NH3:1 OH:1 - NH2:1 H2O:1 - - 5e+007 1.6 955 + + + 5.000000E+07 + 1.6000000000000001 + 955.000000 + + NH3:1 OH:1 + H2O:1 NH2:1 - - + + NH3 + O [=] NH2 + OH - NH3:1 O:1 - NH2:1 OH:1 - - 9.4e+006 1.94 6460 + + + 9.400000E+06 + 1.9399999999999999 + 6460.000000 + + O:1 NH3:1 + OH:1 NH2:1 - - + + NH + CO2 [=] HNO + CO - NH:1 CO2:1 - HNO:1 CO:1 - - 1e+013 0 14350 + + + 1.000000E+13 + 0 + 14350.000000 + + NH:1 CO2:1 + CO:1 HNO:1 - - + + CN + NO2 [=] NCO + NO - CN:1 NO2:1 - NCO:1 NO:1 - - 6.16e+015 -0.752 345 + + + 6.160000E+15 + -0.752 + 345.000000 + + CN:1 NO2:1 + NO:1 NCO:1 - - + + NCO + NO2 [=] N2O + CO2 - NCO:1 NO2:1 - N2O:1 CO2:1 - - 3.25e+012 0 -705 + + + 3.250000E+12 + 0 + -705.000000 + + NO2:1 NCO:1 + CO2:1 N2O:1 - - + + N + CO2 [=] NO + CO - N:1 CO2:1 - NO:1 CO:1 - - 3e+012 0 11300 + + + 3.000000E+12 + 0 + 11300.000000 + + CO2:1 N:1 + CO:1 NO:1 - - + + O + CH3 =] H + H2 + CO - O:1 CH3:1 - H:1 H2:1 CO:1 - - 3.37e+013 0 0 + + + 3.370000E+13 + 0 + 0.000000 + + CH3:1 O:1 + H2:1 H:1 CO:1 - - + + O + C2H4 [=] H + CH2CHO - O:1 C2H4:1 - H:1 CH2CHO:1 - - 6.7e+006 1.83 220 + + + 6.700000E+06 + 1.8300000000000001 + 220.000000 + + C2H4:1 O:1 + H:1 CH2CHO:1 - - + + O + C2H5 [=] H + CH3CHO - O:1 C2H5:1 - H:1 CH3CHO:1 - - 1.096e+014 0 0 + + + 1.096000E+14 + 0 + 0.000000 + + C2H5:1 O:1 + H:1 CH3CHO:1 - - + + OH + HO2 [=] O2 + H2O - OH:1 HO2:1 - O2:1 H2O:1 - - 5e+015 0 17330 + + + 5.000000E+15 + 0 + 17330.000000 + - idtag_rxn_87 + HO2:1 OH:1 + H2O:1 O2:1 - - + + OH + CH3 =] H2 + CH2O - OH:1 CH3:1 - H2:1 CH2O:1 - - 8e+009 0.5 -1755 + + + 8.000000E+09 + 0.5 + -1755.000000 + + CH3:1 OH:1 + H2:1 CH2O:1 - - + + 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 - + + + 1.970000E+12 + 0.42999999999999999 + -370.000000 + + + 4.820000E+25 + -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 - CH2:1 O2:1 - H:2 CO2:1 - - 5.8e+012 0 1500 + + + 5.800000E+12 + 0 + 1500.000000 + + CH2:1 O2:1 + H:2 CO2:1 - - + + CH2 + O2 [=] O + CH2O - CH2:1 O2:1 - O:1 CH2O:1 - - 2.4e+012 0 1500 + + + 2.400000E+12 + 0 + 1500.000000 + + CH2:1 O2:1 + CH2O:1 O:1 - - + + CH2 + CH2 =] 2 H + C2H2 - CH2:1 CH2:1 - H:2 C2H2:1 - - 2e+014 0 10989 + + + 2.000000E+14 + 0 + 10989.000000 + + CH2:2 + H:2 C2H2:1 - - + + CH2(S) + H2O =] H2 + CH2O - CH2(S):1 H2O:1 - H2:1 CH2O:1 - - 6.82e+010 0.25 -935 + + + 6.820000E+10 + 0.25 + -935.000000 + + CH2(S):1 H2O:1 + H2:1 CH2O:1 - - + + C2H3 + O2 [=] O + CH2CHO - C2H3:1 O2:1 - O:1 CH2CHO:1 - - 3.03e+011 0.29 11 + + + 3.030000E+11 + 0.28999999999999998 + 11.000000 + + C2H3:1 O2:1 + CH2CHO:1 O:1 - - + + C2H3 + O2 [=] HO2 + C2H2 - C2H3:1 O2:1 - HO2:1 C2H2:1 - - 1.337e+006 1.61 -384 + + + 1.337000E+06 + 1.6100000000000001 + -384.000000 + + C2H3:1 O2:1 + HO2:1 C2H2:1 - - + + O + CH3CHO [=] OH + CH2CHO - O:1 CH3CHO:1 - OH:1 CH2CHO:1 - - 5.84e+012 0 1808 + + + 5.840000E+12 + 0 + 1808.000000 + + CH3CHO:1 O:1 + CH2CHO:1 OH:1 - - + + O + CH3CHO =] OH + CH3 + CO - O:1 CH3CHO:1 - OH:1 CH3:1 CO:1 - - 5.84e+012 0 1808 + + + 5.840000E+12 + 0 + 1808.000000 + + CH3CHO:1 O:1 + CH3:1 CO:1 OH:1 - - + + O2 + CH3CHO =] HO2 + CH3 + CO - O2:1 CH3CHO:1 - HO2:1 CH3:1 CO:1 - - 3.01e+013 0 39150 + + + 3.010000E+13 + 0 + 39150.000000 + + CH3CHO:1 O2:1 + CO:1 CH3:1 HO2:1 - - + + H + CH3CHO [=] CH2CHO + H2 - H:1 CH3CHO:1 - CH2CHO:1 H2:1 - - 2.05e+009 1.16 2405 + + + 2.050000E+09 + 1.1599999999999999 + 2405.000000 + + H:1 CH3CHO:1 + H2:1 CH2CHO:1 - - + + H + CH3CHO =] CH3 + H2 + CO - H:1 CH3CHO:1 - CH3:1 H2:1 CO:1 - - 2.05e+009 1.16 2405 + + + 2.050000E+09 + 1.1599999999999999 + 2405.000000 + + H:1 CH3CHO:1 + H2:1 CH3:1 CO:1 - - + + OH + CH3CHO =] CH3 + H2O + CO - OH:1 CH3CHO:1 - CH3:1 H2O:1 CO:1 - - 2.343e+010 0.73 -1113 + + + 2.343000E+10 + 0.72999999999999998 + -1113.000000 + + CH3CHO:1 OH:1 + H2O:1 CH3:1 CO:1 - - + + HO2 + CH3CHO =] CH3 + H2O2 + CO - HO2:1 CH3CHO:1 - CH3:1 H2O2:1 CO:1 - - 3.01e+012 0 11923 + + + 3.010000E+12 + 0 + 11923.000000 + + CH3CHO:1 HO2:1 + CH3:1 CO:1 H2O2:1 - - + + CH3 + CH3CHO =] CH3 + CH4 + CO - CH3:1 CH3CHO:1 - CH3:1 CH4:1 CO:1 - - 2.72e+006 1.77 5920 + + + 2.720000E+06 + 1.77 + 5920.000000 + + CH3CHO:1 CH3:1 + CO:1 CH3:1 CH4:1 - - + + 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 - + + + 4.865000E+11 + 0.42199999999999999 + -1755.000000 + + + 1.012000E+42 + -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 - O:1 CH2CHO:1 - H:1 CH2:1 CO2:1 - - 1.5e+014 0 0 + + + 1.500000E+14 + 0 + 0.000000 + + CH2CHO:1 O:1 + H:1 CH2:1 CO2:1 - - + + O2 + CH2CHO =] OH + CO + CH2O - O2:1 CH2CHO:1 - OH:1 CO:1 CH2O:1 - - 1.81e+010 0 0 + + + 1.810000E+10 + 0 + 0.000000 + + CH2CHO:1 O2:1 + CH2O:1 CO:1 OH:1 - - + + O2 + CH2CHO =] OH + 2 HCO - O2:1 CH2CHO:1 - OH:1 HCO:2 - - 2.35e+010 0 0 + + + 2.350000E+10 + 0 + 0.000000 + + CH2CHO:1 O2:1 + HCO:2 OH:1 - - + + H + CH2CHO [=] CH3 + HCO - H:1 CH2CHO:1 - CH3:1 HCO:1 - - 2.2e+013 0 0 + + + 2.200000E+13 + 0 + 0.000000 + + H:1 CH2CHO:1 + CH3:1 HCO:1 - - + + H + CH2CHO [=] CH2CO + H2 - H:1 CH2CHO:1 - CH2CO:1 H2:1 - - 1.1e+013 0 0 + + + 1.100000E+13 + 0 + 0.000000 + + H:1 CH2CHO:1 + H2:1 CH2CO:1 - - + + OH + CH2CHO [=] H2O + CH2CO - OH:1 CH2CHO:1 - H2O:1 CH2CO:1 - - 1.2e+013 0 0 + + + 1.200000E+13 + 0 + 0.000000 + + CH2CHO:1 OH:1 + H2O:1 CH2CO:1 - - + + OH + CH2CHO [=] HCO + CH2OH - OH:1 CH2CHO:1 - HCO:1 CH2OH:1 - - 3.01e+013 0 0 + + + 3.010000E+13 + 0 + 0.000000 + + CH2CHO:1 OH:1 + CH2OH:1 HCO:1 - - + + 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 - + + + 9.430000E+12 + 0 + 0.000000 + + + 2.710000E+74 + -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 - O:1 C3H8:1 - OH:1 C3H7:1 - - 193000 2.68 3716 + + + 1.930000E+05 + 2.6800000000000002 + 3716.000000 + + C3H8:1 O:1 + C3H7:1 OH:1 - - + + H + C3H8 [=] C3H7 + H2 - H:1 C3H8:1 - C3H7:1 H2:1 - - 1.32e+006 2.54 6756 + + + 1.320000E+06 + 2.54 + 6756.000000 + + H:1 C3H8:1 + H2:1 C3H7:1 - - + + OH + C3H8 [=] C3H7 + H2O - OH:1 C3H8:1 - C3H7:1 H2O:1 - - 3.16e+007 1.8 934 + + + 3.160000E+07 + 1.8 + 934.000000 + + C3H8:1 OH:1 + C3H7:1 H2O:1 - - + + C3H7 + H2O2 [=] HO2 + C3H8 - C3H7:1 H2O2:1 - HO2:1 C3H8:1 - - 378 2.72 1500 + + + 3.780000E+02 + 2.7200000000000002 + 1500.000000 + + C3H7:1 H2O2:1 + HO2:1 C3H8:1 - - + + CH3 + C3H8 [=] C3H7 + CH4 - CH3:1 C3H8:1 - C3H7:1 CH4:1 - - 0.903 3.65 7154 + + + 9.030000E-01 + 3.6499999999999999 + 7154.000000 + + CH3:1 C3H8:1 + C3H7:1 CH4:1 - - + + 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 - + + + 2.550000E+06 + 1.6000000000000001 + 5700.000000 + + + 3.000000E+63 + -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 - O:1 C3H7:1 - C2H5:1 CH2O:1 - - 9.64e+013 0 0 + + + 9.640000E+13 + 0 + 0.000000 + + C3H7:1 O:1 + CH2O:1 C2H5:1 - - + + 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 - + + + 3.613000E+13 + 0 + 0.000000 + + + 4.420000E+61 + -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 - H:1 C3H7:1 - CH3:1 C2H5:1 - - 4.06e+006 2.19 890 + + + 4.060000E+06 + 2.1899999999999999 + 890.000000 + + H:1 C3H7:1 + C2H5:1 CH3:1 - - + + OH + C3H7 [=] C2H5 + CH2OH - OH:1 C3H7:1 - C2H5:1 CH2OH:1 - - 2.41e+013 0 0 + + + 2.410000E+13 + 0 + 0.000000 + + C3H7:1 OH:1 + CH2OH:1 C2H5:1 - - + + HO2 + C3H7 [=] O2 + C3H8 - HO2:1 C3H7:1 - O2:1 C3H8:1 - - 2.55e+010 0.255 -943 + + + 2.550000E+10 + 0.255 + -943.000000 + + C3H7:1 HO2:1 + O2:1 C3H8:1 - - + + HO2 + C3H7 =] OH + C2H5 + CH2O - HO2:1 C3H7:1 - OH:1 C2H5:1 CH2O:1 - - 2.41e+013 0 0 + + + 2.410000E+13 + 0 + 0.000000 + + C3H7:1 HO2:1 + CH2O:1 C2H5:1 OH:1 - - + + CH3 + C3H7 [=] 2 C2H5 - CH3:1 C3H7:1 - C2H5:2 - - 1.927e+013 -0.32 0 + + + 1.927000E+13 + -0.32000000000000001 + 0.000000 + + C3H7:1 CH3:1 + C2H5:2 - \ No newline at end of file + diff --git a/test_problems/cxx_ex/silane.xml b/test_problems/cxx_ex/silane.xml index a64f8192a..49d3c6d5b 100644 --- a/test_problems/cxx_ex/silane.xml +++ b/test_problems/cxx_ex/silane.xml @@ -1,480 +1,496 @@ - - - - - 300 - 1 - H2:1.0 - - + + Si H He - + H2 H HE SIH4 SI SIH SIH2 SIH3 H3SISIH SI2H6 - H2SISIH2 SI3H8 SI2 SI3 - - - - + H2SISIH2 SI3H8 SI2 SI3 + + + - - + + - - - TPIS78 - H:2 + + + 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 - + + + 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, - - - L 7/88 - H:1 + + + H:1 - - - 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 - + + + 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, - - - 120186 - He:1 + + + He:1 - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, - 9.153488000E-01 - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, - 9.153489000E-01 - + + + 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, -7.453750000E+02, 9.153488000E-01, + + + + 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, + 0.000000000E+00, -7.453750000E+02, 9.153489000E-01, - - - 90784 - Si:1 H:4 + + + H:4 Si:1 - - - 1.451640400E+00, 1.398736300E-02, -4.234563900E-06, - -2.360614200E-09, 1.371208900E-12, 3.113410500E+03, - 1.232185500E+01 - - - 7.935938000E-01, 1.767189900E-02, -1.139800900E-05, - 3.599260400E-09, -4.524157100E-13, 3.198212700E+03, - 1.524225700E+01 - + + + 1.451640400E+00, 1.398736300E-02, -4.234563900E-06, -2.360614200E-09, + 1.371208900E-12, 3.113410500E+03, 1.232185500E+01, + + + + 7.935938000E-01, 1.767189900E-02, -1.139800900E-05, 3.599260400E-09, + -4.524157100E-13, 3.198212700E+03, 1.524225700E+01, - - - J 3/67 - Si:1 + + + Si:1 - - - 3.179353700E+00, -2.764699200E-03, 4.478403800E-06, - -3.283317700E-09, 9.121363100E-13, 5.333903200E+04, - 2.727320400E+00 - - - 2.650601400E+00, -3.576385200E-04, 2.959229300E-07, - -7.280482900E-11, 5.796332900E-15, 5.343705400E+04, - 5.220405700E+00 - + + + 3.179353700E+00, -2.764699200E-03, 4.478403800E-06, -3.283317700E-09, + 9.121363100E-13, 5.333903200E+04, 2.727320400E+00, + + + + 2.650601400E+00, -3.576385200E-04, 2.959229300E-07, -7.280482900E-11, + 5.796332900E-15, 5.343705400E+04, 5.220405700E+00, - - - 121986 - Si:1 H:1 + + + H:1 Si:1 - - - 3.836010000E+00, -2.702657000E-03, 6.849070000E-06, - -5.424184000E-09, 1.472131000E-12, 4.507593000E+04, - 9.350778000E-01 - - - 3.110430000E+00, 1.094946000E-03, 2.898629000E-08, - -2.745104000E-10, 7.051799000E-14, 4.516898000E+04, - 4.193487000E+00 - + + + 3.836010000E+00, -2.702657000E-03, 6.849070000E-06, -5.424184000E-09, + 1.472131000E-12, 4.507593000E+04, 9.350778000E-01, + + + + 3.110430000E+00, 1.094946000E-03, 2.898629000E-08, -2.745104000E-10, + 7.051799000E-14, 4.516898000E+04, 4.193487000E+00, - - - 42489 - Si:1 H:2 + + + H:2 Si:1 - - - 3.475092000E+00, 2.139338000E-03, 7.672306000E-07, - 5.217668000E-10, -9.898824000E-13, 3.147397000E+04, - 4.436585000E+00 - - - 4.142390000E+00, 2.150191000E-03, -2.190730000E-07, - -2.073725000E-10, 4.741018000E-14, 3.110484000E+04, - 2.930745000E-01 - + + + 3.475092000E+00, 2.139338000E-03, 7.672306000E-07, 5.217668000E-10, + -9.898824000E-13, 3.147397000E+04, 4.436585000E+00, + + + + 4.142390000E+00, 2.150191000E-03, -2.190730000E-07, -2.073725000E-10, + 4.741018000E-14, 3.110484000E+04, 2.930745000E-01, - - - 42489 - Si:1 H:3 + + + H:3 Si:1 - - - 2.946733000E+00, 6.466764000E-03, 5.991653000E-07, - -2.218413000E-09, 3.052670000E-13, 2.270173000E+04, - 7.347948000E+00 - - - 5.015906000E+00, 3.732750000E-03, -3.609053000E-07, - -3.729193000E-10, 8.468490000E-14, 2.190233000E+04, - -4.291368000E+00 - + + + 2.946733000E+00, 6.466764000E-03, 5.991653000E-07, -2.218413000E-09, + 3.052670000E-13, 2.270173000E+04, 7.347948000E+00, + + + + 5.015906000E+00, 3.732750000E-03, -3.609053000E-07, -3.729193000E-10, + 8.468490000E-14, 2.190233000E+04, -4.291368000E+00, - - - 111191 - H:4 Si:2 + + + H:4 Si:2 - - - 3.698707000E+00, 1.870180000E-02, -1.430704000E-05, - 6.005836000E-09, -1.116293000E-12, 3.590825000E+04, - 8.825191000E+00 - - - 1.127202000E+01, 2.538145000E-03, -2.998472000E-07, - -9.465367000E-11, 1.855053000E-14, 3.297169000E+04, - -3.264598000E+01 - + + + 3.698707000E+00, 1.870180000E-02, -1.430704000E-05, 6.005836000E-09, + -1.116293000E-12, 3.590825000E+04, 8.825191000E+00, + + + + 1.127202000E+01, 2.538145000E-03, -2.998472000E-07, -9.465367000E-11, + 1.855053000E-14, 3.297169000E+04, -3.264598000E+01, - - - 90784 - Si:2 H:6 + + + H:6 Si:2 - - - 6.734798300E-01, 4.093153100E-02, -4.484125500E-05, - 2.995223200E-08, -8.901085400E-12, 7.932787500E+03, - 1.862740300E+01 - - - 3.407493600E+00, 2.720647900E-02, -1.771320400E-05, - 5.639117700E-09, -7.137868200E-13, 7.532184200E+03, - 6.132175400E+00 - + + + 6.734798300E-01, 4.093153100E-02, -4.484125500E-05, 2.995223200E-08, + -8.901085400E-12, 7.932787500E+03, 1.862740300E+01, + + + + 3.407493600E+00, 2.720647900E-02, -1.771320400E-05, 5.639117700E-09, + -7.137868200E-13, 7.532184200E+03, 6.132175400E+00, - - - 42489 - Si:2 H:4 + + + H:4 Si:2 - - - 5.133186000E+00, 1.252855000E-02, -4.620421000E-07, - -6.606075000E-09, 2.864345000E-12, 2.956915000E+04, - 7.605133000E-01 - - - 8.986817000E+00, 5.405047000E-03, -5.214022000E-07, - -5.313742000E-10, 1.188727000E-13, 2.832748000E+04, - -2.004478000E+01 - + + + 5.133186000E+00, 1.252855000E-02, -4.620421000E-07, -6.606075000E-09, + 2.864345000E-12, 2.956915000E+04, 7.605133000E-01, + + + + 8.986817000E+00, 5.405047000E-03, -5.214022000E-07, -5.313742000E-10, + 1.188727000E-13, 2.832748000E+04, -2.004478000E+01, - - - 90784 - Si:3 H:8 + + + H:8 Si:3 - - - 7.719684600E-01, 6.344274000E-02, -7.672610900E-05, - 5.454371500E-08, -1.661172900E-11, 1.207126300E+04, - 2.153250700E+01 - - - 6.093334100E+00, 3.658011200E-02, -2.389236100E-05, - 7.627193200E-09, -9.676938400E-13, 1.129720500E+04, - -2.747565400E+00 - + + + 7.719684600E-01, 6.344274000E-02, -7.672610900E-05, 5.454371500E-08, + -1.661172900E-11, 1.207126300E+04, 2.153250700E+01, + + + + 6.093334100E+00, 3.658011200E-02, -2.389236100E-05, 7.627193200E-09, + -9.676938400E-13, 1.129720500E+04, -2.747565400E+00, - - - 90784 - Si:2 + + + Si:2 - - - 2.967197600E+00, 6.311955800E-03, -1.097079000E-05, - 8.927868000E-09, -2.787368900E-12, 6.987073800E+04, - 9.278950300E+00 - - - 4.144677900E+00, 6.523467700E-04, -5.010852000E-07, - 1.806284300E-10, -2.516111100E-14, 6.969470700E+04, - 3.862736600E+00 - + + + 2.967197600E+00, 6.311955800E-03, -1.097079000E-05, 8.927868000E-09, + -2.787368900E-12, 6.987073800E+04, 9.278950300E+00, + + + + 4.144677900E+00, 6.523467700E-04, -5.010852000E-07, 1.806284300E-10, + -2.516111100E-14, 6.969470700E+04, 3.862736600E+00, - - - J 3/67 - Si:3 + + + Si:3 - - - 4.597912900E+00, 1.071527400E-02, -1.610042200E-05, - 1.096920700E-08, -2.783287500E-12, 7.476632400E+04, - 3.442167100E+00 - - - 7.421336000E+00, -1.170994800E-04, 8.982077500E-08, - 7.193596400E-12, -2.567083700E-15, 7.414669900E+04, - -1.036527400E+01 - + + + 4.597912900E+00, 1.071527400E-02, -1.610042200E-05, 1.096920700E-08, + -2.783287500E-12, 7.476632400E+04, 3.442167100E+00, + + + + 7.421336000E+00, -1.170994800E-04, 8.982077500E-08, 7.193596400E-12, + -2.567083700E-15, 7.414669900E+04, -1.036527400E+01, + - - - - - + + SIH4 + H [=] SIH3 + H2 - SIH4:1 H:1 - SIH3:1 H2:1 - - 7.8e+14 0 2260 + + + 7.800000E+14 + 0 + 2260.000000 + + SIH4:1 H:1 + H2:1 SIH3:1 - - + + SIH4 + M [=] SIH3 + H + M - SIH4:1 - SIH3:1 H:1 - - 3.91e+15 0 89356 + + + 3.910000E+15 + 0 + 89356.000000 + + SIH4:1 + H:1 SIH3:1 - - + + SIH3 + H [=] SIH2 + H2 - SIH3:1 H:1 - SIH2:1 H2:1 - - 7.8e+14 0 2260 + + + 7.800000E+14 + 0 + 2260.000000 + + H:1 SIH3:1 + H2:1 SIH2:1 - - + + SI + SI + M [=] SI2 + M - SI:1 SI:1 - SI2:1 - - 2.47e+16 0 1178 + + + 2.470000E+16 + 0 + 1178.000000 + + SI:2 + SI2:1 - - + + SIH4 + SIH2 [=] H3SISIH + H2 - SIH4:1 SIH2:1 - H3SISIH:1 H2:1 - - 1.3e+13 0 0 + + + 1.300000E+13 + 0 + 0.000000 + + SIH4:1 SIH2:1 + H2:1 H3SISIH:1 - - + + SIH + H2 [=] SIH2 + H - SIH:1 H2:1 - SIH2:1 H:1 - - 4.8e+14 0 23.64 + + + 4.800000E+14 + 0 + 23.640000 + + H2:1 SIH:1 + H:1 SIH2:1 - - + + SIH + SIH4 [=] H3SISIH + H - SIH:1 SIH4:1 - H3SISIH:1 H:1 - - 1.6e+14 0 0 + + + 1.600000E+14 + 0 + 0.000000 + + SIH4:1 SIH:1 + H:1 H3SISIH:1 - - + + SI + H2 [=] SIH + H - SI:1 H2:1 - SIH:1 H:1 - - 1.5e+15 0 31.8 + + + 1.500000E+15 + 0 + 31.800000 + + H2:1 SI:1 + H:1 SIH:1 - - + + SIH4 (+ M) [=] SIH2 + H2 (+ M) - SIH4:1 - SIH2:1 H2:1 - - 3.119e+09 1.669 54710 - 5.214e+29 -3.545 57550 - -0.4984 888.3 209.4 2760 - - SI2H6:4 SIH4:4 - + + + 3.119000E+09 + 1.669 + 54710.000000 + + + 5.214000E+29 + -3.5449999999999999 + 57550.000000 + + SI2H6:4 SIH4:4 + -0.4984 888.3 209.4 2760 + SIH4:1 + H2:1 SIH2:1 - - + + H3SISIH (+ M) [=] H2SISIH2 (+ M) - H3SISIH:1 - H2SISIH2:1 - - 2.54e+13 -0.2239 5381 - 1.099e+33 -5.765 9152 - -0.4202 214.5 103 136.3 - - SI2H6:4 SIH4:4 - + + + 2.540000E+13 + -0.22389999999999999 + 5381.000000 + + + 1.099000E+33 + -5.7649999999999997 + 9152.000000 + + SI2H6:4 SIH4:4 + -0.4202 214.5 103 136.3 + H3SISIH:1 + H2SISIH2:1 - - + + SI3H8 (+ M) [=] SIH4 + H3SISIH (+ M) - SI3H8:1 - SIH4:1 H3SISIH:1 - - 3.73e+12 0.992 50850 - 4.36e+76 -17.26 59303 - 0.4157 365.3 3102 9.724 - - SI2H6:4 SIH4:4 - + + + 3.730000E+12 + 0.99199999999999999 + 50850.000000 + + + 4.360000E+76 + -17.260000000000002 + 59303.000000 + + SI2H6:4 SIH4:4 + 0.4157 365.3 3102 9.724 + SI3H8:1 + SIH4:1 H3SISIH:1 - - + + SI3H8 (+ M) [=] SIH2 + SI2H6 (+ M) - SI3H8:1 - SIH2:1 SI2H6:1 - - 6.97e+12 0.9691 52677 - 1.73e+69 -15.07 60491 - -3.47e-05 442 2412 128.3 - - SI2H6:4 SIH4:4 - + + + 6.970000E+12 + 0.96909999999999996 + 52677.000000 + + + 1.730000E+69 + -15.07 + 60491.000000 + + SI2H6:4 SIH4:4 + -3.47e-05 442 2412 128.3 + SI3H8:1 + SI2H6:1 SIH2:1 - - + + SI2H6 (+ M) [=] H2 + H3SISIH (+ M) - SI2H6:1 - H2:1 H3SISIH:1 - - 9.086e+09 1.834 54197 - 1.945e+44 -7.772 59023 - -0.1224 793.3 2400 11.39 - - SI2H6:4 SIH4:4 - + + + 9.086000E+09 + 1.8340000000000001 + 54197.000000 + + + 1.945000E+44 + -7.7720000000000002 + 59023.000000 + + SI2H6:4 SIH4:4 + -0.1224 793.3 2400 11.39 + SI2H6:1 + H2:1 H3SISIH:1 - - + + SI2H6 (+ M) [=] SIH4 + SIH2 (+ M) - SI2H6:1 - SIH4:1 SIH2:1 - - 1.81e+10 1.747 50203 - 5.09e+53 -10.37 56034 - 4.375e-05 438.5 2726 438.2 - - SI2H6:4 SIH4:4 - + + + 1.810000E+10 + 1.7470000000000001 + 50203.000000 + + + 5.090000E+53 + -10.369999999999999 + 56034.000000 + + SI2H6:4 SIH4:4 + 4.375e-05 438.5 2726 438.2 + SI2H6:1 + SIH4:1 SIH2:1 - \ No newline at end of file +