diff --git a/test/data/gasNASA9.xml b/test/data/gasNASA9.xml new file mode 100644 index 000000000..bb9ae801a --- /dev/null +++ b/test/data/gasNASA9.xml @@ -0,0 +1,95 @@ + + + + + O H C N Ar + + H2 H2_NASA9 H2_NASA9_4REG + + + 300.0 + 101325.0 + + + + + + + + + + + + H:2 + TPIS78 + + + + 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, + -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 + + + + + 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, + 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 + + + + + + + + H:2 + Fictional - made up + + + + 0.0, 0.0, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, + -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 + + + + + 0.0, 0.0, 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, + 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 + + + + + + + + + H:2 + Fictional - made up + + + + 0.0, 0.0, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, + -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 + + + + + 0.0, 0.0, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, + -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 + + + + + 0.0, 0.0, 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, + 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 + + + + + 0.0, 0.0, 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, + 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 + + + + + + + diff --git a/test/thermo/nasapoly.cpp b/test/thermo/nasapoly.cpp index 0fc30167d..87a033913 100644 --- a/test/thermo/nasapoly.cpp +++ b/test/thermo/nasapoly.cpp @@ -1,5 +1,6 @@ #include "gtest/gtest.h" #include "cantera/thermo/NasaPoly1.h" +#include "cantera/IdealGasMix.h" namespace Cantera { @@ -108,6 +109,39 @@ TEST_F(NasaPoly1Test, updatePropertiesTemp) EXPECT_DOUBLE_EQ(s_R1, s_R2); } + +TEST(Nasa9Test, Nasa9Thermo) { + IdealGasMix g("../data/gasNASA9.xml", "nasa9"); + size_t nsp = g.nSpecies(); + double pres = 1.0E5; + vector_fp Xset(nsp, 0.0); + Xset[0] = 0.5; + Xset[1] = 0.5; + + vector_fp cp_R(nsp, 0.0); + vector_fp H_RT(nsp, 0.0); + vector_fp S_R(nsp, 0.0); + + double T0 = 300.0; + double dT = 199.0; + double abstol = 1e-7; + + for (size_t i = 0; i < 15; i++) { + g.setState_TPX(T0 + i*dT, pres, &Xset[0]); + g.getEntropy_R(&S_R[0]); + g.getCp_R(&cp_R[0]); + g.getEnthalpy_RT(&H_RT[0]); + + EXPECT_NEAR(cp_R[0], cp_R[1], abstol); + EXPECT_NEAR(cp_R[0], cp_R[2], abstol); + EXPECT_NEAR(H_RT[0], H_RT[1], abstol); + EXPECT_NEAR(H_RT[0], H_RT[2], abstol); + EXPECT_NEAR(S_R[0], S_R[1], abstol); + EXPECT_NEAR(S_R[0], S_R[2], abstol); + } +} + + } // namespace Cantera int main(int argc, char** argv) diff --git a/test_problems/NASA9poly_test/NASA9poly_test.cpp b/test_problems/NASA9poly_test/NASA9poly_test.cpp deleted file mode 100644 index 55c638ac1..000000000 --- a/test_problems/NASA9poly_test/NASA9poly_test.cpp +++ /dev/null @@ -1,61 +0,0 @@ -/** - * @file NASA9poly_test - * test problem for NASA 9 coefficient formulation - */ -#include "cantera/transport.h" -#include "cantera/IdealGasMix.h" -#include "cantera/transport/TransportFactory.h" - -#include -#include - -using namespace Cantera; - -int main(int argc, char** argv) -{ -#ifdef _MSC_VER - _set_output_format(_TWO_DIGIT_EXPONENT); -#endif - try { - IdealGasMix g("gasNASA9.xml", "gri30_mix"); - size_t nsp = g.nSpecies(); - double pres = 1.0E5; - vector_fp Xset(nsp, 0.0); - Xset[0] = 0.5 ; - Xset[1] = 0.5; - - g.setState_TPX(1500.0, pres, &Xset[0]); - - vector_fp cp_R(nsp, 0.0); - vector_fp H_RT(nsp, 0.0); - vector_fp S_R(nsp, 0.0); - - g.getEntropy_R(&S_R[0]); - g.getCp_R(&cp_R[0]); - g.getEnthalpy_RT(&H_RT[0]); - - printf("Comparisons of H2 calculated via several equivalent classes:\n"); - printf("1500 K and 1 atm:\n"); - printf(" NasaThermo Nasa9 Nasa9_4reg \n"); - printf(" cp/R: %11.6g %11.6g %11.6g\n", cp_R[0], cp_R[1], cp_R[2]); - printf(" H/RT: %11.6g %11.6g %11.6g\n", H_RT[0], H_RT[1], H_RT[2]); - printf(" S/R: %11.6g %11.6g %11.6g\n", S_R[0], S_R[1], S_R[2]); - - std::auto_ptr tran(newTransportMgr("Mix", &g)); - vector_fp Gvalues(nsp, 0.0); - - printf("Viscosity and thermal Cond vs. T\n"); - for (int k = 0; k < 40; k++) { - double T1 = 400. + 200. * k; - g.setState_TPX(T1, pres, &Xset[0]); - g.getPureGibbs(&Gvalues[0]); - double visc = tran->viscosity(); - double cond = tran->thermalConductivity(); - printf(" %13g %13.5g %13.5g\n", T1, visc, cond); - } - } catch (CanteraError& err) { - std::cout << err.what() << std::endl; - return 1; - } - return 0; -} diff --git a/test_problems/NASA9poly_test/gasNASA9.xml b/test_problems/NASA9poly_test/gasNASA9.xml deleted file mode 100644 index 1187d9f65..000000000 --- a/test_problems/NASA9poly_test/gasNASA9.xml +++ /dev/null @@ -1,6245 +0,0 @@ - - - - - - - O H C N Ar - - H2 H2_NASA9 H2_NASA9_4REG H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - - 300.0 - 101325.0 - - - - - - - - - - - - H:2 - TPIS78 - - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - - linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 - - - - - - H:2 - Fictional - made up - - - - 0.0, 0.0, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - - 0.0, 0.0, 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - - linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 - - - - - - - H:2 - Fictional - made up - - - - 0.0, 0.0, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - - 0.0, 0.0, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - - 0.0, 0.0, 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - - 0.0, 0.0, 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - - linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 - - - - - - H:1 - L 7/88 - - - - 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 - - - - 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 - - - - atom - 145.000 - 2.050 - 0.000 - 0.000 - 0.000 - - - - - - O:1 - L 1/90 - - - - 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 - - - - 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, - 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 - - - - atom - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - O:2 - TPIS89 - - - - 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 - - - - 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 - - - - linear - 107.400 - 3.460 - 0.000 - 1.600 - 3.800 - - - - - - H:1 O:1 - RUS 78 - - - - 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 - - - - 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, - 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 O:1 - L 8/89 - - - - 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 - - - - 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 - - - - nonlinear - 572.400 - 2.600 - 1.840 - 0.000 - 4.000 - - - - - - H:1 O:2 - L 5/89 - - - - 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 - - - - 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, - -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 1.000 - - - - - - H:2 O:2 - L 7/88 - - - - 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, - 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 - - - - 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, - -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 3.800 - - - - - - C:1 - L11/88 - - - - 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, - 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 - - - - 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, - -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 C:1 - TPIS79 - - - - 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, - -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 - - - - 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, - 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, - 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 - - - - 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, - -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, - 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 - - - - 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, - -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:3 C:1 - L11/89 - - - - 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, - 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 - - - - 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, - -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:4 C:1 - L 8/88 - - - - 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, - 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 - - - - 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, - -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 - - - - nonlinear - 141.400 - 3.750 - 0.000 - 2.600 - 13.000 - - - - - - C:1 O:1 - TPIS79 - - - - 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, - -9.044244990E-13, -1.434408600E+04, 3.508409280E+00 - - - - 2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10, - -2.036477160E-14, -1.415187240E+04, 7.818687720E+00 - - - - linear - 98.100 - 3.650 - 0.000 - 1.950 - 1.800 - - - - - - C:1 O:2 - L 7/88 - - - - 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, - -1.436995480E-13, -4.837196970E+04, 9.901052220E+00 - - - - 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, - -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 - - - - linear - 244.000 - 3.760 - 0.000 - 2.650 - 2.100 - - - - - - H:1 C:1 O:1 - L12/89 - - - - 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, - 4.337688650E-12, 3.839564960E+03, 3.394372430E+00 - - - - 2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10, - -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 O:1 - L 8/88 - - - - 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, - 1.317726520E-11, -1.430895670E+04, 6.028129000E-01 - - - - 1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09, - -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 - - - - nonlinear - 498.000 - 3.590 - 0.000 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - GUNL93 - - - - 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, - 4.369672780E-12, -3.193913670E+03, 5.473022430E+00 - - - - 3.692665690E+00, 8.645767970E-03, -3.751011200E-06, 7.872346360E-10, - -6.485542010E-14, -3.242506270E+03, 5.810432150E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:3 C:1 O:1 - 121686 - - - - 2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09, - 2.075610000E-12, 9.786011000E+02, 1.315217700E+01 - - - - 3.770799000E+00, 7.871497000E-03, -2.656384000E-06, 3.944431000E-10, - -2.112616000E-14, 1.278325200E+02, 2.929575000E+00 - - - - nonlinear - 417.000 - 3.690 - 1.700 - 0.000 - 2.000 - - - - - - H:4 C:1 O:1 - L 8/88 - - - - 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, - 2.613526980E-11, -2.564276560E+04, -1.504098230E+00 - - - - 1.789707910E+00, 1.409382920E-02, -6.365008350E-06, 1.381710850E-09, - -1.170602200E-13, -2.537487470E+04, 1.450236230E+01 - - - - nonlinear - 481.800 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:2 - L 1/91 - - - - 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, - -1.093315110E-11, 6.683939320E+04, 6.222964380E+00 - - - - 3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10, - -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:2 C:2 - L 1/91 - - - - 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, - -8.500729740E-12, 2.642898070E+04, 1.393970510E+01 - - - - 4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10, - -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 - - - - linear - 209.000 - 4.100 - 0.000 - 0.000 - 2.500 - - - - - - H:3 C:2 - L 2/92 - - - - 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, - 1.471508730E-11, 3.485984680E+04, 8.510540250E+00 - - - - 3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09, - -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 - - - - nonlinear - 209.000 - 4.100 - 0.000 - 0.000 - 1.000 - - - - - - H:4 C:2 - L 1/91 - - - - 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, - 2.698843730E-11, 5.089775930E+03, 4.097330960E+00 - - - - 2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09, - -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 - - - - nonlinear - 280.800 - 3.970 - 0.000 - 0.000 - 1.500 - - - - - - H:5 C:2 - L12/92 - - - - 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, - 2.305090040E-11, 1.284162650E+04, 4.707209240E+00 - - - - 1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09, - -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:6 C:2 - L 8/88 - - - - 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, - 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 - - - - 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, - -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:1 C:2 O:1 - SRIC91 - - - - 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, - -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 - - - - 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, - -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:2 O:1 - L 5/90 - - - - 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, - -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 - - - - 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, - -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:2 C:2 O:1 - SRI91 - - - - 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, - -1.401459400E-11, 8.031614300E+03, 1.387431900E+01 - - - - 5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10, - -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - N:1 - L 6/88 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, 5.610463700E+04, 4.193908700E+00 - - - - 2.415942900E+00, 1.748906500E-04, -1.190236900E-07, 3.022624500E-11, - -2.036098200E-15, 5.613377300E+04, 4.649609600E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 N:1 - And94 - - - - 3.492908500E+00, 3.117919800E-04, -1.489048400E-06, 2.481644200E-09, - -1.035696700E-12, 4.188062900E+04, 1.848327800E+00 - - - - 2.783692800E+00, 1.329843000E-03, -4.247804700E-07, 7.834850100E-11, - -5.504447000E-15, 4.212084800E+04, 5.740779900E+00 - - - - linear - 80.000 - 2.650 - 0.000 - 0.000 - 4.000 - - - - - - H:2 N:1 - And89 - - - - 4.204002900E+00, -2.106138500E-03, 7.106834800E-06, -5.611519700E-09, - 1.644071700E-12, 2.188591000E+04, -1.418424800E-01 - - - - 2.834742100E+00, 3.207308200E-03, -9.339080400E-07, 1.370295300E-10, - -7.920614400E-15, 2.217195700E+04, 6.520416300E+00 - - - - nonlinear - 80.000 - 2.650 - 0.000 - 2.260 - 4.000 - - - - - - H:3 N:1 - J 6/77 - - - - 4.286027400E+00, -4.660523000E-03, 2.171851300E-05, -2.280888700E-08, - 8.263804600E-12, -6.741728500E+03, -6.253727700E-01 - - - - 2.634452100E+00, 5.666256000E-03, -1.727867600E-06, 2.386716100E-10, - -1.257878600E-14, -6.544695800E+03, 6.566292800E+00 - - - - nonlinear - 481.000 - 2.920 - 1.470 - 0.000 - 10.000 - - - - - - H:1 N:2 - T07/93 - - - - 4.344692700E+00, -4.849707200E-03, 2.005945900E-05, -2.172646400E-08, - 7.946953900E-12, 2.879197300E+04, 2.977941000E+00 - - - - 3.766754400E+00, 2.891508200E-03, -1.041662000E-06, 1.684259400E-10, - -1.009189600E-14, 2.865069700E+04, 4.470506700E+00 - - - - nonlinear - 71.400 - 3.800 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:1 - RUS 78 - - - - 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, - 2.803577000E-12, 9.844623000E+03, 2.280846400E+00 - - - - 3.260605600E+00, 1.191104300E-03, -4.291704800E-07, 6.945766900E-11, - -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - O:2 N:1 - L 7/88 - - - - 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, - 7.835056400E-12, 2.896617900E+03, 6.311991700E+00 - - - - 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, - -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 - - - - nonlinear - 200.000 - 3.500 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:2 - L 7/88 - - - - 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, - -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 - - - - 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, - -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 O:1 N:1 - And93 - - - - 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, - 5.545457300E-12, 1.154829700E+04, 1.749841700E+00 - - - - 2.979250900E+00, 3.494405900E-03, -7.854977800E-07, 5.747959400E-11, - -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 - - - - nonlinear - 116.700 - 3.490 - 0.000 - 0.000 - 1.000 - - - - - - C:1 N:1 - HBH92 - - - - 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, - -4.643035600E-13, 5.170834000E+04, 3.980499500E+00 - - - - 3.745980500E+00, 4.345077500E-05, 2.970598400E-07, -6.865180600E-11, - 4.413417300E-15, 5.153618800E+04, 2.786760100E+00 - - - - linear - 75.000 - 3.860 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:1 - GRI/98 - - - - 2.258988600E+00, 1.005117000E-02, -1.335176300E-05, 1.009234900E-08, - -3.008902800E-12, 1.471263300E+04, 8.916441900E+00 - - - - 3.802239200E+00, 3.146422800E-03, -1.063218500E-06, 1.661975700E-10, - -9.799757000E-15, 1.440729200E+04, 1.575460100E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:1 N:1 - 41687 - - - - 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, - -2.351108100E-13, 2.863782000E+04, 8.992751100E+00 - - - - 5.209703000E+00, 2.969291100E-03, -2.855589100E-07, -1.635550000E-10, - 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:2 - SRI/94 - - - - 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, - -3.235737800E-12, 5.426198400E+04, 1.167587000E+01 - - - - 5.894636200E+00, 3.989595900E-03, -1.598238000E-06, 2.924939500E-10, - -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, - -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 - - - - 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, - -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, - 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 - - - - 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, - -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, - 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 - - - - 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, - -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - C:1 O:1 N:1 - EA 93 - - - - 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, - -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 - - - - 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, - -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - N:2 - 121286 - - - - 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 - - - - 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, - -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - Ar:1 - 120186 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - atom - 136.500 - 3.330 - 0.000 - 0.000 - 0.000 - - - - - - H:7 C:3 - L 9/84 - - - - 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, - 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 - - - - 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, - -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:8 C:3 - L 4/85 - - - - 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, - 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 - - - - 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, - -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:3 C:2 O:1 - SAND86 - - - - 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, - 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 - - - - 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, - -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:4 C:2 O:1 - L 8/88 - - - - 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, - 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 - - - - 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, - -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - - - 2 O + M [=] O2 + M - - - 1.200000E+11 - -1 - 0.000000 - - AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 - - O:2 - O2:1 - - - - - O + H + M [=] OH + M - - - 5.000000E+11 - -1 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 O:1 - OH:1 - - - - - O + H2 [=] H + OH - - - 3.870000E+01 - 2.7000000000000002 - 6260.000000 - - - H2:1 O:1 - H:1 OH:1 - - - - - O + HO2 [=] OH + O2 - - - 2.000000E+10 - 0 - 0.000000 - - - HO2:1 O:1 - O2:1 OH:1 - - - - - O + H2O2 [=] OH + HO2 - - - 9.630000E+03 - 2 - 4000.000000 - - - H2O2:1 O:1 - HO2:1 OH:1 - - - - - O + CH [=] H + CO - - - 5.700000E+10 - 0 - 0.000000 - - - CH:1 O:1 - H:1 CO:1 - - - - - O + CH2 [=] H + HCO - - - 8.000000E+10 - 0 - 0.000000 - - - CH2:1 O:1 - H:1 HCO:1 - - - - - O + CH2(S) [=] H2 + CO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H2:1 CO:1 - - - - - O + CH2(S) [=] H + HCO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1 - H:1 HCO:1 - - - - - O + CH3 [=] H + CH2O - - - 5.060000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - CH2O:1 H:1 - - - - - O + CH4 [=] OH + CH3 - - - 1.020000E+06 - 1.5 - 8600.000000 - - - CH4:1 O:1 - CH3:1 OH:1 - - - - - O + CO (+ M) [=] CO2 (+ M) - - - 1.800000E+07 - 0 - 2385.000000 - - - 6.020000E+08 - 0 - 3000.000000 - - AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 - - - CO:1 O:1 - CO2:1 - - - - - O + HCO [=] OH + CO - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - CO:1 OH:1 - - - - - O + HCO [=] H + CO2 - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1 - H:1 CO2:1 - - - - - O + CH2O [=] OH + HCO - - - 3.900000E+10 - 0 - 3540.000000 - - - CH2O:1 O:1 - HCO:1 OH:1 - - - - - O + CH2OH [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH2OH:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3O [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH3O:1 O:1 - CH2O:1 OH:1 - - - - - O + CH3OH [=] OH + CH2OH - - - 3.880000E+02 - 2.5 - 3100.000000 - - - CH3OH:1 O:1 - CH2OH:1 OH:1 - - - - - O + CH3OH [=] OH + CH3O - - - 1.300000E+02 - 2.5 - 5000.000000 - - - CH3OH:1 O:1 - CH3O:1 OH:1 - - - - - O + C2H [=] CH + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C2H:1 O:1 - CH:1 CO:1 - - - - - O + C2H2 [=] H + HCCO - - - 1.350000E+04 - 2 - 1900.000000 - - - C2H2:1 O:1 - H:1 HCCO:1 - - - - - O + C2H2 [=] OH + C2H - - - 4.600000E+16 - -1.4099999999999999 - 28950.000000 - - - C2H2:1 O:1 - C2H:1 OH:1 - - - - - O + C2H2 [=] CO + CH2 - - - 6.940000E+03 - 2 - 1900.000000 - - - C2H2:1 O:1 - CH2:1 CO:1 - - - - - O + C2H3 [=] H + CH2CO - - - 3.000000E+10 - 0 - 0.000000 - - - C2H3:1 O:1 - H:1 CH2CO:1 - - - - - O + C2H4 [=] CH3 + HCO - - - 1.250000E+04 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - CH3:1 HCO:1 - - - - - O + C2H5 [=] CH3 + CH2O - - - 2.240000E+10 - 0 - 0.000000 - - - C2H5:1 O:1 - CH2O:1 CH3:1 - - - - - O + C2H6 [=] OH + C2H5 - - - 8.980000E+04 - 1.9199999999999999 - 5690.000000 - - - C2H6:1 O:1 - C2H5:1 OH:1 - - - - - O + HCCO [=] H + 2 CO - - - 1.000000E+11 - 0 - 0.000000 - - - HCCO:1 O:1 - H:1 CO:2 - - - - - O + CH2CO [=] OH + HCCO - - - 1.000000E+10 - 0 - 8000.000000 - - - CH2CO:1 O:1 - HCCO:1 OH:1 - - - - - O + CH2CO [=] CH2 + CO2 - - - 1.750000E+09 - 0 - 1350.000000 - - - CH2CO:1 O:1 - CH2:1 CO2:1 - - - - - O2 + CO [=] O + CO2 - - - 2.500000E+09 - 0 - 47800.000000 - - - CO:1 O2:1 - CO2:1 O:1 - - - - - O2 + CH2O [=] HO2 + HCO - - - 1.000000E+11 - 0 - 40000.000000 - - - CH2O:1 O2:1 - HO2:1 HCO:1 - - - - - H + O2 + M [=] HO2 + M - - - 2.800000E+12 - -0.85999999999999999 - 0.000000 - - AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 - - H:1 O2:1 - HO2:1 - - - - - H + 2 O2 [=] HO2 + O2 - - - 2.080000E+13 - -1.24 - 0.000000 - - - H:1 O2:2 - HO2:1 O2:1 - - - - - H + O2 + H2O [=] HO2 + H2O - - - 1.126000E+13 - -0.76000000000000001 - 0.000000 - - - H:1 H2O:1 O2:1 - H2O:1 HO2:1 - - - - - H + O2 + N2 [=] HO2 + N2 - - - 2.600000E+13 - -1.24 - 0.000000 - - - H:1 N2:1 O2:1 - N2:1 HO2:1 - - - - - H + O2 + AR [=] HO2 + AR - - - 7.000000E+11 - -0.80000000000000004 - 0.000000 - - - H:1 AR:1 O2:1 - AR:1 HO2:1 - - - - - H + O2 [=] O + OH - - - 2.650000E+13 - -0.67069999999999996 - 17041.000000 - - - H:1 O2:1 - O:1 OH:1 - - - - - 2 H + M [=] H2 + M - - - 1.000000E+12 - -1 - 0.000000 - - AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 - - H:2 - H2:1 - - - - - 2 H + H2 [=] 2 H2 - - - 9.000000E+10 - -0.59999999999999998 - 0.000000 - - - H2:1 H:2 - H2:2 - - - - - 2 H + H2O [=] H2 + H2O - - - 6.000000E+13 - -1.25 - 0.000000 - - - H:2 H2O:1 - H2:1 H2O:1 - - - - - 2 H + CO2 [=] H2 + CO2 - - - 5.500000E+14 - -2 - 0.000000 - - - H:2 CO2:1 - H2:1 CO2:1 - - - - - H + OH + M [=] H2O + M - - - 2.200000E+16 - -2 - 0.000000 - - AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 - - H:1 OH:1 - H2O:1 - - - - - H + HO2 [=] O + H2O - - - 3.970000E+09 - 0 - 671.000000 - - - H:1 HO2:1 - H2O:1 O:1 - - - - - H + HO2 [=] O2 + H2 - - - 4.480000E+10 - 0 - 1068.000000 - - - H:1 HO2:1 - H2:1 O2:1 - - - - - H + HO2 [=] 2 OH - - - 8.400000E+10 - 0 - 635.000000 - - - H:1 HO2:1 - OH:2 - - - - - H + H2O2 [=] HO2 + H2 - - - 1.210000E+04 - 2 - 5200.000000 - - - H:1 H2O2:1 - H2:1 HO2:1 - - - - - H + H2O2 [=] OH + H2O - - - 1.000000E+10 - 0 - 3600.000000 - - - H:1 H2O2:1 - H2O:1 OH:1 - - - - - H + CH [=] C + H2 - - - 1.650000E+11 - 0 - 0.000000 - - - H:1 CH:1 - H2:1 C:1 - - - - - H + CH2 (+ M) [=] CH3 (+ M) - - - 6.000000E+11 - 0 - 0.000000 - - - 1.040000E+20 - -2.7599999999999998 - 1600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.562 91 5836 8552 - - H:1 CH2:1 - CH3:1 - - - - - H + CH2(S) [=] CH + H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 CH2(S):1 - H2:1 CH:1 - - - - - H + CH3 (+ M) [=] CH4 (+ M) - - - 1.390000E+13 - -0.53400000000000003 - 536.000000 - - - 2.620000E+27 - -4.7599999999999998 - 2440.000000 - - AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 - 0.783 74 2941 6964 - - H:1 CH3:1 - CH4:1 - - - - - H + CH4 [=] CH3 + H2 - - - 6.600000E+05 - 1.6200000000000001 - 10840.000000 - - - H:1 CH4:1 - H2:1 CH3:1 - - - - - H + HCO (+ M) [=] CH2O (+ M) - - - 1.090000E+09 - 0.47999999999999998 - -260.000000 - - - 2.470000E+18 - -2.5699999999999998 - 425.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7824 271 2755 6570 - - H:1 HCO:1 - CH2O:1 - - - - - H + HCO [=] H2 + CO - - - 7.340000E+10 - 0 - 0.000000 - - - H:1 HCO:1 - H2:1 CO:1 - - - - - H + CH2O (+ M) [=] CH2OH (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 3600.000000 - - - 1.270000E+26 - -4.8200000000000003 - 6530.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7187 103 1291 4160 - - CH2O:1 H:1 - CH2OH:1 - - - - - H + CH2O (+ M) [=] CH3O (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 2600.000000 - - - 2.200000E+24 - -4.7999999999999998 - 5560.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.758 94 1555 4200 - - CH2O:1 H:1 - CH3O:1 - - - - - H + CH2O [=] HCO + H2 - - - 5.740000E+04 - 1.8999999999999999 - 2742.000000 - - - CH2O:1 H:1 - H2:1 HCO:1 - - - - - H + CH2OH (+ M) [=] CH3OH (+ M) - - - 1.055000E+09 - 0.5 - 86.000000 - - - 4.360000E+25 - -4.6500000000000004 - 5080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6 100 90000 10000 - - H:1 CH2OH:1 - CH3OH:1 - - - - - H + CH2OH [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH2OH:1 - H2:1 CH2O:1 - - - - - H + CH2OH [=] OH + CH3 - - - 1.650000E+08 - 0.65000000000000002 - -284.000000 - - - H:1 CH2OH:1 - CH3:1 OH:1 - - - - - H + CH2OH [=] CH2(S) + H2O - - - 3.280000E+10 - -0.089999999999999997 - 610.000000 - - - H:1 CH2OH:1 - CH2(S):1 H2O:1 - - - - - H + CH3O (+ M) [=] CH3OH (+ M) - - - 2.430000E+09 - 0.51500000000000001 - 50.000000 - - - 4.660000E+35 - -7.4400000000000004 - 14080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7 100 90000 10000 - - H:1 CH3O:1 - CH3OH:1 - - - - - H + CH3O [=] H + CH2OH - - - 4.150000E+04 - 1.6299999999999999 - 1924.000000 - - - H:1 CH3O:1 - H:1 CH2OH:1 - - - - - H + CH3O [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1 CH3O:1 - H2:1 CH2O:1 - - - - - H + CH3O [=] OH + CH3 - - - 1.500000E+09 - 0.5 - -110.000000 - - - H:1 CH3O:1 - CH3:1 OH:1 - - - - - H + CH3O [=] CH2(S) + H2O - - - 2.620000E+11 - -0.23000000000000001 - 1070.000000 - - - H:1 CH3O:1 - CH2(S):1 H2O:1 - - - - - H + CH3OH [=] CH2OH + H2 - - - 1.700000E+04 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH2OH:1 - - - - - H + CH3OH [=] CH3O + H2 - - - 4.200000E+03 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1 - H2:1 CH3O:1 - - - - - H + C2H (+ M) [=] C2H2 (+ M) - - - 1.000000E+14 - -1 - 0.000000 - - - 3.750000E+27 - -4.7999999999999998 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6464 132 1315 5566 - - H:1 C2H:1 - C2H2:1 - - - - - H + C2H2 (+ M) [=] C2H3 (+ M) - - - 5.600000E+09 - 0 - 2400.000000 - - - 3.800000E+34 - -7.2699999999999996 - 7220.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7507 98.5 1302 4167 - - H:1 C2H2:1 - C2H3:1 - - - - - H + C2H3 (+ M) [=] C2H4 (+ M) - - - 6.080000E+09 - 0.27000000000000002 - 280.000000 - - - 1.400000E+24 - -3.8599999999999999 - 3320.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.782 207.5 2663 6095 - - H:1 C2H3:1 - C2H4:1 - - - - - H + C2H3 [=] H2 + C2H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1 C2H3:1 - H2:1 C2H2:1 - - - - - H + C2H4 (+ M) [=] C2H5 (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 1820.000000 - - - 6.000000E+35 - -7.6200000000000001 - 6970.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.9753 210 984 4374 - - H:1 C2H4:1 - C2H5:1 - - - - - H + C2H4 [=] C2H3 + H2 - - - 1.325000E+03 - 2.5299999999999998 - 12240.000000 - - - H:1 C2H4:1 - H2:1 C2H3:1 - - - - - H + C2H5 (+ M) [=] C2H6 (+ M) - - - 5.210000E+14 - -0.98999999999999999 - 1580.000000 - - - 1.990000E+35 - -7.0800000000000001 - 6685.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.8422 125 2219 6882 - - H:1 C2H5:1 - C2H6:1 - - - - - H + C2H5 [=] H2 + C2H4 - - - 2.000000E+09 - 0 - 0.000000 - - - H:1 C2H5:1 - H2:1 C2H4:1 - - - - - H + C2H6 [=] C2H5 + H2 - - - 1.150000E+05 - 1.8999999999999999 - 7530.000000 - - - H:1 C2H6:1 - H2:1 C2H5:1 - - - - - H + HCCO [=] CH2(S) + CO - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCCO:1 - CH2(S):1 CO:1 - - - - - H + CH2CO [=] HCCO + H2 - - - 5.000000E+10 - 0 - 8000.000000 - - - H:1 CH2CO:1 - H2:1 HCCO:1 - - - - - H + CH2CO [=] CH3 + CO - - - 1.130000E+10 - 0 - 3428.000000 - - - H:1 CH2CO:1 - CH3:1 CO:1 - - - - - H + HCCOH [=] H + CH2CO - - - 1.000000E+10 - 0 - 0.000000 - - - H:1 HCCOH:1 - H:1 CH2CO:1 - - - - - H2 + CO (+ M) [=] CH2O (+ M) - - - 4.300000E+04 - 1.5 - 79600.000000 - - - 5.070000E+21 - -3.4199999999999999 - 84350.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.932 197 1540 10300 - - H2:1 CO:1 - CH2O:1 - - - - - OH + H2 [=] H + H2O - - - 2.160000E+05 - 1.51 - 3430.000000 - - - H2:1 OH:1 - H:1 H2O:1 - - - - - 2 OH (+ M) [=] H2O2 (+ M) - - - 7.400000E+10 - -0.37 - 0.000000 - - - 2.300000E+12 - -0.90000000000000002 - -1700.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7346 94 1756 5182 - - OH:2 - H2O2:1 - - - - - 2 OH [=] O + H2O - - - 3.570000E+01 - 2.3999999999999999 - -2110.000000 - - - OH:2 - H2O:1 O:1 - - - - - OH + HO2 [=] O2 + H2O - - - 1.450000E+10 - 0 - -500.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 2.000000E+09 - 0 - 427.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + H2O2 [=] HO2 + H2O - - - 1.700000E+15 - 0 - 29410.000000 - - - H2O2:1 OH:1 - H2O:1 HO2:1 - - - - - OH + C [=] H + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 OH:1 - H:1 CO:1 - - - - - OH + CH [=] H + HCO - - - 3.000000E+10 - 0 - 0.000000 - - - CH:1 OH:1 - H:1 HCO:1 - - - - - OH + CH2 [=] H + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 OH:1 - CH2O:1 H:1 - - - - - OH + CH2 [=] CH + H2O - - - 1.130000E+04 - 2 - 3000.000000 - - - CH2:1 OH:1 - H2O:1 CH:1 - - - - - OH + CH2(S) [=] H + CH2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 OH:1 - CH2O:1 H:1 - - - - - OH + CH3 (+ M) [=] CH3OH (+ M) - - - 2.790000E+15 - -1.4299999999999999 - 1330.000000 - - - 4.000000E+30 - -5.9199999999999999 - 3140.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.412 195 5900 6394 - - CH3:1 OH:1 - CH3OH:1 - - - - - OH + CH3 [=] CH2 + H2O - - - 5.600000E+04 - 1.6000000000000001 - 5420.000000 - - - CH3:1 OH:1 - CH2:1 H2O:1 - - - - - OH + CH3 [=] CH2(S) + H2O - - - 6.440000E+14 - -1.3400000000000001 - 1417.000000 - - - CH3:1 OH:1 - CH2(S):1 H2O:1 - - - - - OH + CH4 [=] CH3 + H2O - - - 1.000000E+05 - 1.6000000000000001 - 3120.000000 - - - CH4:1 OH:1 - H2O:1 CH3:1 - - - - - OH + CO [=] H + CO2 - - - 4.760000E+04 - 1.228 - 70.000000 - - - CO:1 OH:1 - H:1 CO2:1 - - - - - OH + HCO [=] H2O + CO - - - 5.000000E+10 - 0 - 0.000000 - - - HCO:1 OH:1 - H2O:1 CO:1 - - - - - OH + CH2O [=] HCO + H2O - - - 3.430000E+06 - 1.1799999999999999 - -447.000000 - - - CH2O:1 OH:1 - H2O:1 HCO:1 - - - - - OH + CH2OH [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH2OH:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3O [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH3O:1 OH:1 - CH2O:1 H2O:1 - - - - - OH + CH3OH [=] CH2OH + H2O - - - 1.440000E+03 - 2 - -840.000000 - - - CH3OH:1 OH:1 - CH2OH:1 H2O:1 - - - - - OH + CH3OH [=] CH3O + H2O - - - 6.300000E+03 - 2 - 1500.000000 - - - CH3OH:1 OH:1 - H2O:1 CH3O:1 - - - - - OH + C2H [=] H + HCCO - - - 2.000000E+10 - 0 - 0.000000 - - - C2H:1 OH:1 - H:1 HCCO:1 - - - - - OH + C2H2 [=] H + CH2CO - - - 2.180000E-07 - 4.5 - -1000.000000 - - - C2H2:1 OH:1 - H:1 CH2CO:1 - - - - - OH + C2H2 [=] H + HCCOH - - - 5.040000E+02 - 2.2999999999999998 - 13500.000000 - - - C2H2:1 OH:1 - H:1 HCCOH:1 - - - - - OH + C2H2 [=] C2H + H2O - - - 3.370000E+04 - 2 - 14000.000000 - - - C2H2:1 OH:1 - C2H:1 H2O:1 - - - - - OH + C2H2 [=] CH3 + CO - - - 4.830000E-07 - 4 - -2000.000000 - - - C2H2:1 OH:1 - CH3:1 CO:1 - - - - - OH + C2H3 [=] H2O + C2H2 - - - 5.000000E+09 - 0 - 0.000000 - - - C2H3:1 OH:1 - H2O:1 C2H2:1 - - - - - OH + C2H4 [=] C2H3 + H2O - - - 3.600000E+03 - 2 - 2500.000000 - - - C2H4:1 OH:1 - H2O:1 C2H3:1 - - - - - OH + C2H6 [=] C2H5 + H2O - - - 3.540000E+03 - 2.1200000000000001 - 870.000000 - - - C2H6:1 OH:1 - C2H5:1 H2O:1 - - - - - OH + CH2CO [=] HCCO + H2O - - - 7.500000E+09 - 0 - 2000.000000 - - - CH2CO:1 OH:1 - H2O:1 HCCO:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 1.300000E+08 - 0 - -1630.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 4.200000E+11 - 0 - 12000.000000 - - - HO2:2 - O2:1 H2O2:1 - - - - - HO2 + CH2 [=] OH + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 HO2:1 - CH2O:1 OH:1 - - - - - HO2 + CH3 [=] O2 + CH4 - - - 1.000000E+09 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH4:1 O2:1 - - - - - HO2 + CH3 [=] OH + CH3O - - - 3.780000E+10 - 0 - 0.000000 - - - CH3:1 HO2:1 - CH3O:1 OH:1 - - - - - HO2 + CO [=] OH + CO2 - - - 1.500000E+11 - 0 - 23600.000000 - - - CO:1 HO2:1 - CO2:1 OH:1 - - - - - HO2 + CH2O [=] HCO + H2O2 - - - 5.600000E+03 - 2 - 12000.000000 - - - CH2O:1 HO2:1 - HCO:1 H2O2:1 - - - - - C + O2 [=] O + CO - - - 5.800000E+10 - 0 - 576.000000 - - - C:1 O2:1 - CO:1 O:1 - - - - - C + CH2 [=] H + C2H - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH2:1 - H:1 C2H:1 - - - - - C + CH3 [=] H + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 CH3:1 - H:1 C2H2:1 - - - - - CH + O2 [=] O + HCO - - - 6.710000E+10 - 0 - 0.000000 - - - CH:1 O2:1 - HCO:1 O:1 - - - - - CH + H2 [=] H + CH2 - - - 1.080000E+11 - 0 - 3110.000000 - - - H2:1 CH:1 - H:1 CH2:1 - - - - - CH + H2O [=] H + CH2O - - - 5.710000E+09 - 0 - -755.000000 - - - H2O:1 CH:1 - CH2O:1 H:1 - - - - - CH + CH2 [=] H + C2H2 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH:1 - H:1 C2H2:1 - - - - - CH + CH3 [=] H + C2H3 - - - 3.000000E+10 - 0 - 0.000000 - - - CH3:1 CH:1 - H:1 C2H3:1 - - - - - CH + CH4 [=] H + C2H4 - - - 6.000000E+10 - 0 - 0.000000 - - - CH:1 CH4:1 - H:1 C2H4:1 - - - - - CH + CO (+ M) [=] HCCO (+ M) - - - 5.000000E+10 - 0 - 0.000000 - - - 2.690000E+22 - -3.7400000000000002 - 1936.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5757 237 1652 5069 - - CH:1 CO:1 - HCCO:1 - - - - - CH + CO2 [=] HCO + CO - - - 1.900000E+11 - 0 - 15792.000000 - - - CH:1 CO2:1 - CO:1 HCO:1 - - - - - CH + CH2O [=] H + CH2CO - - - 9.460000E+10 - 0 - -515.000000 - - - CH2O:1 CH:1 - H:1 CH2CO:1 - - - - - CH + HCCO [=] CO + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - CH:1 HCCO:1 - CO:1 C2H2:1 - - - - - CH2 + O2 =] OH + H + CO - - - 5.000000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2 + H2 [=] H + CH3 - - - 5.000000E+02 - 2 - 7230.000000 - - - H2:1 CH2:1 - H:1 CH3:1 - - - - - 2 CH2 [=] H2 + C2H2 - - - 1.600000E+12 - 0 - 11944.000000 - - - CH2:2 - H2:1 C2H2:1 - - - - - CH2 + CH3 [=] H + C2H4 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH3:1 - H:1 C2H4:1 - - - - - CH2 + CH4 [=] 2 CH3 - - - 2.460000E+03 - 2 - 8270.000000 - - - CH2:1 CH4:1 - CH3:2 - - - - - CH2 + CO (+ M) [=] CH2CO (+ M) - - - 8.100000E+08 - 0.5 - 4510.000000 - - - 2.690000E+27 - -5.1100000000000003 - 7095.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5907 275 1226 5185 - - CH2:1 CO:1 - CH2CO:1 - - - - - CH2 + HCCO [=] C2H3 + CO - - - 3.000000E+10 - 0 - 0.000000 - - - CH2:1 HCCO:1 - CO:1 C2H3:1 - - - - - CH2(S) + N2 [=] CH2 + N2 - - - 1.500000E+10 - 0 - 600.000000 - - - CH2(S):1 N2:1 - CH2:1 N2:1 - - - - - CH2(S) + AR [=] CH2 + AR - - - 9.000000E+09 - 0 - 600.000000 - - - CH2(S):1 AR:1 - CH2:1 AR:1 - - - - - CH2(S) + O2 [=] H + OH + CO - - - 2.800000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H:1 CO:1 OH:1 - - - - - CH2(S) + O2 [=] CO + H2O - - - 1.200000E+10 - 0 - 0.000000 - - - CH2(S):1 O2:1 - H2O:1 CO:1 - - - - - CH2(S) + H2 [=] CH3 + H - - - 7.000000E+10 - 0 - 0.000000 - - - H2:1 CH2(S):1 - H:1 CH3:1 - - - - - CH2(S) + H2O (+ M) [=] CH3OH (+ M) - - - 4.820000E+14 - -1.1599999999999999 - 1145.000000 - - - 1.880000E+32 - -6.3600000000000003 - 5040.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6027 208 3922 10180 - - CH2(S):1 H2O:1 - CH3OH:1 - - - - - CH2(S) + H2O [=] CH2 + H2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 H2O:1 - CH2:1 H2O:1 - - - - - CH2(S) + CH3 [=] H + C2H4 - - - 1.200000E+10 - 0 - -570.000000 - - - CH2(S):1 CH3:1 - H:1 C2H4:1 - - - - - CH2(S) + CH4 [=] 2 CH3 - - - 1.600000E+10 - 0 - -570.000000 - - - CH2(S):1 CH4:1 - CH3:2 - - - - - CH2(S) + CO [=] CH2 + CO - - - 9.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO:1 - CH2:1 CO:1 - - - - - CH2(S) + CO2 [=] CH2 + CO2 - - - 7.000000E+09 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2:1 CO2:1 - - - - - CH2(S) + CO2 [=] CO + CH2O - - - 1.400000E+10 - 0 - 0.000000 - - - CH2(S):1 CO2:1 - CH2O:1 CO:1 - - - - - CH2(S) + C2H6 [=] CH3 + C2H5 - - - 4.000000E+10 - 0 - -550.000000 - - - CH2(S):1 C2H6:1 - C2H5:1 CH3:1 - - - - - CH3 + O2 [=] O + CH3O - - - 3.560000E+10 - 0 - 30480.000000 - - - CH3:1 O2:1 - CH3O:1 O:1 - - - - - CH3 + O2 [=] OH + CH2O - - - 2.310000E+09 - 0 - 20315.000000 - - - CH3:1 O2:1 - CH2O:1 OH:1 - - - - - CH3 + H2O2 [=] HO2 + CH4 - - - 2.450000E+01 - 2.4700000000000002 - 5180.000000 - - - CH3:1 H2O2:1 - CH4:1 HO2:1 - - - - - 2 CH3 (+ M) [=] C2H6 (+ M) - - - 6.770000E+13 - -1.1799999999999999 - 654.000000 - - - 3.400000E+35 - -7.0300000000000002 - 2762.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.619 73.2 1180 9999 - - CH3:2 - C2H6:1 - - - - - 2 CH3 [=] H + C2H5 - - - 6.840000E+09 - 0.10000000000000001 - 10600.000000 - - - CH3:2 - H:1 C2H5:1 - - - - - CH3 + HCO [=] CH4 + CO - - - 2.648000E+10 - 0 - 0.000000 - - - CH3:1 HCO:1 - CO:1 CH4:1 - - - - - CH3 + CH2O [=] HCO + CH4 - - - 3.320000E+00 - 2.8100000000000001 - 5860.000000 - - - CH2O:1 CH3:1 - CH4:1 HCO:1 - - - - - CH3 + CH3OH [=] CH2OH + CH4 - - - 3.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH2OH:1 CH4:1 - - - - - CH3 + CH3OH [=] CH3O + CH4 - - - 1.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1 - CH3O:1 CH4:1 - - - - - CH3 + C2H4 [=] C2H3 + CH4 - - - 2.270000E+02 - 2 - 9200.000000 - - - CH3:1 C2H4:1 - CH4:1 C2H3:1 - - - - - CH3 + C2H6 [=] C2H5 + CH4 - - - 6.140000E+03 - 1.74 - 10450.000000 - - - C2H6:1 CH3:1 - C2H5:1 CH4:1 - - - - - HCO + H2O [=] H + CO + H2O - - - 1.500000E+15 - -1 - 17000.000000 - - - H2O:1 HCO:1 - H:1 H2O:1 CO:1 - - - - - HCO + M [=] H + CO + M - - - 1.870000E+14 - -1 - 17000.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 - - HCO:1 - H:1 CO:1 - - - - - HCO + O2 [=] HO2 + CO - - - 1.345000E+10 - 0 - 400.000000 - - - HCO:1 O2:1 - CO:1 HO2:1 - - - - - CH2OH + O2 [=] HO2 + CH2O - - - 1.800000E+10 - 0 - 900.000000 - - - CH2OH:1 O2:1 - CH2O:1 HO2:1 - - - - - CH3O + O2 [=] HO2 + CH2O - - - 4.280000E-16 - 7.5999999999999996 - -3530.000000 - - - CH3O:1 O2:1 - CH2O:1 HO2:1 - - - - - C2H + O2 [=] HCO + CO - - - 1.000000E+10 - 0 - -755.000000 - - - C2H:1 O2:1 - CO:1 HCO:1 - - - - - C2H + H2 [=] H + C2H2 - - - 5.680000E+07 - 0.90000000000000002 - 1993.000000 - - - H2:1 C2H:1 - H:1 C2H2:1 - - - - - C2H3 + O2 [=] HCO + CH2O - - - 4.580000E+13 - -1.3899999999999999 - 1015.000000 - - - C2H3:1 O2:1 - CH2O:1 HCO:1 - - - - - C2H4 (+ M) [=] H2 + C2H2 (+ M) - - - 8.000000E+12 - 0.44 - 86770.000000 - - - 1.580000E+48 - -9.3000000000000007 - 97800.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7345 180 1035 5417 - - C2H4:1 - H2:1 C2H2:1 - - - - - C2H5 + O2 [=] HO2 + C2H4 - - - 8.400000E+08 - 0 - 3875.000000 - - - C2H5:1 O2:1 - C2H4:1 HO2:1 - - - - - HCCO + O2 [=] OH + 2 CO - - - 3.200000E+09 - 0 - 854.000000 - - - HCCO:1 O2:1 - CO:2 OH:1 - - - - - 2 HCCO [=] 2 CO + C2H2 - - - 1.000000E+10 - 0 - 0.000000 - - - HCCO:2 - CO:2 C2H2:1 - - - - - N + NO [=] N2 + O - - - 2.700000E+10 - 0 - 355.000000 - - - NO:1 N:1 - N2:1 O:1 - - - - - N + O2 [=] NO + O - - - 9.000000E+06 - 1 - 6500.000000 - - - O2:1 N:1 - O:1 NO:1 - - - - - N + OH [=] NO + H - - - 3.360000E+10 - 0 - 385.000000 - - - OH:1 N:1 - H:1 NO:1 - - - - - N2O + O [=] N2 + O2 - - - 1.400000E+09 - 0 - 10810.000000 - - - N2O:1 O:1 - N2:1 O2:1 - - - - - N2O + O [=] 2 NO - - - 2.900000E+10 - 0 - 23150.000000 - - - N2O:1 O:1 - NO:2 - - - - - N2O + H [=] N2 + OH - - - 3.870000E+11 - 0 - 18880.000000 - - - H:1 N2O:1 - N2:1 OH:1 - - - - - N2O + OH [=] N2 + HO2 - - - 2.000000E+09 - 0 - 21060.000000 - - - N2O:1 OH:1 - N2:1 HO2:1 - - - - - N2O (+ M) [=] N2 + O (+ M) - - - 7.910000E+10 - 0 - 56020.000000 - - - 6.370000E+11 - 0 - 56640.000000 - - AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - N2O:1 - N2:1 O:1 - - - - - HO2 + NO [=] NO2 + OH - - - 2.110000E+09 - 0 - -480.000000 - - - HO2:1 NO:1 - NO2:1 OH:1 - - - - - NO + O + M [=] NO2 + M - - - 1.060000E+14 - -1.4099999999999999 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - O:1 NO:1 - NO2:1 - - - - - NO2 + O [=] NO + O2 - - - 3.900000E+09 - 0 - -240.000000 - - - O:1 NO2:1 - O2:1 NO:1 - - - - - NO2 + H [=] NO + OH - - - 1.320000E+11 - 0 - 360.000000 - - - H:1 NO2:1 - OH:1 NO:1 - - - - - NH + O [=] NO + H - - - 4.000000E+10 - 0 - 0.000000 - - - NH:1 O:1 - H:1 NO:1 - - - - - NH + H [=] N + H2 - - - 3.200000E+10 - 0 - 330.000000 - - - NH:1 H:1 - H2:1 N:1 - - - - - NH + OH [=] HNO + H - - - 2.000000E+10 - 0 - 0.000000 - - - NH:1 OH:1 - H:1 HNO:1 - - - - - NH + OH [=] N + H2O - - - 2.000000E+06 - 1.2 - 0.000000 - - - NH:1 OH:1 - H2O:1 N:1 - - - - - NH + O2 [=] HNO + O - - - 4.610000E+02 - 2 - 6500.000000 - - - NH:1 O2:1 - O:1 HNO:1 - - - - - NH + O2 [=] NO + OH - - - 1.280000E+03 - 1.5 - 100.000000 - - - NH:1 O2:1 - OH:1 NO:1 - - - - - NH + N [=] N2 + H - - - 1.500000E+10 - 0 - 0.000000 - - - NH:1 N:1 - H:1 N2:1 - - - - - NH + H2O [=] HNO + H2 - - - 2.000000E+10 - 0 - 13850.000000 - - - NH:1 H2O:1 - H2:1 HNO:1 - - - - - NH + NO [=] N2 + OH - - - 2.160000E+10 - -0.23000000000000001 - 0.000000 - - - NH:1 NO:1 - N2:1 OH:1 - - - - - NH + NO [=] N2O + H - - - 3.650000E+11 - -0.45000000000000001 - 0.000000 - - - NH:1 NO:1 - H:1 N2O:1 - - - - - NH2 + O [=] OH + NH - - - 3.000000E+09 - 0 - 0.000000 - - - O:1 NH2:1 - NH:1 OH:1 - - - - - NH2 + O [=] H + HNO - - - 3.900000E+10 - 0 - 0.000000 - - - O:1 NH2:1 - H:1 HNO:1 - - - - - NH2 + H [=] NH + H2 - - - 4.000000E+10 - 0 - 3650.000000 - - - H:1 NH2:1 - NH:1 H2:1 - - - - - NH2 + OH [=] NH + H2O - - - 9.000000E+04 - 1.5 - -460.000000 - - - OH:1 NH2:1 - NH:1 H2O:1 - - - - - NNH [=] N2 + H - - - 3.300000E+08 - 0 - 0.000000 - - - NNH:1 - H:1 N2:1 - - - - - NNH + M [=] N2 + H + M - - - 1.300000E+11 - -0.11 - 4980.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NNH:1 - H:1 N2:1 - - - - - NNH + O2 [=] HO2 + N2 - - - 5.000000E+09 - 0 - 0.000000 - - - O2:1 NNH:1 - N2:1 HO2:1 - - - - - NNH + O [=] OH + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - N2:1 OH:1 - - - - - NNH + O [=] NH + NO - - - 7.000000E+10 - 0 - 0.000000 - - - O:1 NNH:1 - NH:1 NO:1 - - - - - NNH + H [=] H2 + N2 - - - 5.000000E+10 - 0 - 0.000000 - - - H:1 NNH:1 - H2:1 N2:1 - - - - - NNH + OH [=] H2O + N2 - - - 2.000000E+10 - 0 - 0.000000 - - - OH:1 NNH:1 - H2O:1 N2:1 - - - - - NNH + CH3 [=] CH4 + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - CH3:1 NNH:1 - N2:1 CH4:1 - - - - - H + NO + M [=] HNO + M - - - 4.480000E+13 - -1.3200000000000001 - 740.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 NO:1 - HNO:1 - - - - - HNO + O [=] NO + OH - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 HNO:1 - OH:1 NO:1 - - - - - HNO + H [=] H2 + NO - - - 9.000000E+08 - 0.71999999999999997 - 660.000000 - - - H:1 HNO:1 - H2:1 NO:1 - - - - - HNO + OH [=] NO + H2O - - - 1.300000E+04 - 1.8999999999999999 - -950.000000 - - - HNO:1 OH:1 - H2O:1 NO:1 - - - - - HNO + O2 [=] HO2 + NO - - - 1.000000E+10 - 0 - 13000.000000 - - - O2:1 HNO:1 - HO2:1 NO:1 - - - - - CN + O [=] CO + N - - - 7.700000E+10 - 0 - 0.000000 - - - CN:1 O:1 - CO:1 N:1 - - - - - CN + OH [=] NCO + H - - - 4.000000E+10 - 0 - 0.000000 - - - CN:1 OH:1 - H:1 NCO:1 - - - - - CN + H2O [=] HCN + OH - - - 8.000000E+09 - 0 - 7460.000000 - - - H2O:1 CN:1 - HCN:1 OH:1 - - - - - CN + O2 [=] NCO + O - - - 6.140000E+09 - 0 - -440.000000 - - - CN:1 O2:1 - O:1 NCO:1 - - - - - CN + H2 [=] HCN + H - - - 2.950000E+02 - 2.4500000000000002 - 2240.000000 - - - H2:1 CN:1 - H:1 HCN:1 - - - - - NCO + O [=] NO + CO - - - 2.350000E+10 - 0 - 0.000000 - - - O:1 NCO:1 - CO:1 NO:1 - - - - - NCO + H [=] NH + CO - - - 5.400000E+10 - 0 - 0.000000 - - - H:1 NCO:1 - NH:1 CO:1 - - - - - NCO + OH [=] NO + H + CO - - - 2.500000E+09 - 0 - 0.000000 - - - OH:1 NCO:1 - H:1 CO:1 NO:1 - - - - - NCO + N [=] N2 + CO - - - 2.000000E+10 - 0 - 0.000000 - - - N:1 NCO:1 - N2:1 CO:1 - - - - - NCO + O2 [=] NO + CO2 - - - 2.000000E+09 - 0 - 20000.000000 - - - O2:1 NCO:1 - CO2:1 NO:1 - - - - - NCO + M [=] N + CO + M - - - 3.100000E+11 - 0 - 54050.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NCO:1 - CO:1 N:1 - - - - - NCO + NO [=] N2O + CO - - - 1.900000E+14 - -1.52 - 740.000000 - - - NO:1 NCO:1 - CO:1 N2O:1 - - - - - NCO + NO [=] N2 + CO2 - - - 3.800000E+15 - -2 - 800.000000 - - - NO:1 NCO:1 - N2:1 CO2:1 - - - - - HCN + M [=] H + CN + M - - - 1.040000E+26 - -3.2999999999999998 - 126600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HCN:1 - H:1 CN:1 - - - - - HCN + O [=] NCO + H - - - 2.030000E+01 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - H:1 NCO:1 - - - - - HCN + O [=] NH + CO - - - 5.070000E+00 - 2.6400000000000001 - 4980.000000 - - - HCN:1 O:1 - NH:1 CO:1 - - - - - HCN + O [=] CN + OH - - - 3.910000E+06 - 1.5800000000000001 - 26600.000000 - - - HCN:1 O:1 - CN:1 OH:1 - - - - - HCN + OH [=] HOCN + H - - - 1.100000E+03 - 2.0299999999999998 - 13370.000000 - - - HCN:1 OH:1 - HOCN:1 H:1 - - - - - HCN + OH [=] HNCO + H - - - 4.400000E+00 - 2.2599999999999998 - 6400.000000 - - - HCN:1 OH:1 - HNCO:1 H:1 - - - - - HCN + OH [=] NH2 + CO - - - 1.600000E-01 - 2.5600000000000001 - 9000.000000 - - - HCN:1 OH:1 - CO:1 NH2:1 - - - - - H + HCN (+ M) [=] H2CN (+ M) - - - 3.300000E+10 - 0 - 0.000000 - - - 1.400000E+20 - -3.3999999999999999 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - H:1 HCN:1 - H2CN:1 - - - - - H2CN + N [=] N2 + CH2 - - - 6.000000E+10 - 0 - 400.000000 - - - H2CN:1 N:1 - N2:1 CH2:1 - - - - - C + N2 [=] CN + N - - - 6.300000E+10 - 0 - 46020.000000 - - - C:1 N2:1 - CN:1 N:1 - - - - - CH + N2 [=] HCN + N - - - 3.120000E+06 - 0.88 - 20130.000000 - - - N2:1 CH:1 - HCN:1 N:1 - - - - - CH + N2 (+ M) [=] HCNN (+ M) - - - 3.100000E+09 - 0.14999999999999999 - 0.000000 - - - 1.300000E+19 - -3.1600000000000001 - 740.000000 - - AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.667 235 2117 4536 - - N2:1 CH:1 - HCNN:1 - - - - - CH2 + N2 [=] HCN + NH - - - 1.000000E+10 - 0 - 74000.000000 - - - CH2:1 N2:1 - NH:1 HCN:1 - - - - - CH2(S) + N2 [=] NH + HCN - - - 1.000000E+08 - 0 - 65000.000000 - - - CH2(S):1 N2:1 - NH:1 HCN:1 - - - - - C + NO [=] CN + O - - - 1.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CN:1 O:1 - - - - - C + NO [=] CO + N - - - 2.900000E+10 - 0 - 0.000000 - - - C:1 NO:1 - CO:1 N:1 - - - - - CH + NO [=] HCN + O - - - 4.100000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCN:1 O:1 - - - - - CH + NO [=] H + NCO - - - 1.620000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - H:1 NCO:1 - - - - - CH + NO [=] N + HCO - - - 2.460000E+10 - 0 - 0.000000 - - - CH:1 NO:1 - HCO:1 N:1 - - - - - CH2 + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2:1 NO:1 - HNCO:1 H:1 - - - - - CH2 + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2:1 NO:1 - HCN:1 OH:1 - - - - - CH2 + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2:1 NO:1 - H:1 HCNO:1 - - - - - CH2(S) + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2(S):1 NO:1 - HNCO:1 H:1 - - - - - CH2(S) + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2(S):1 NO:1 - HCN:1 OH:1 - - - - - CH2(S) + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2(S):1 NO:1 - H:1 HCNO:1 - - - - - CH3 + NO [=] HCN + H2O - - - 9.600000E+10 - 0 - 28800.000000 - - - CH3:1 NO:1 - H2O:1 HCN:1 - - - - - CH3 + NO [=] H2CN + OH - - - 1.000000E+09 - 0 - 21750.000000 - - - CH3:1 NO:1 - H2CN:1 OH:1 - - - - - HCNN + O [=] CO + H + N2 - - - 2.200000E+10 - 0 - 0.000000 - - - O:1 HCNN:1 - H:1 N2:1 CO:1 - - - - - HCNN + O [=] HCN + NO - - - 2.000000E+09 - 0 - 0.000000 - - - O:1 HCNN:1 - HCN:1 NO:1 - - - - - HCNN + O2 [=] O + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - O2:1 HCNN:1 - N2:1 HCO:1 O:1 - - - - - HCNN + OH [=] H + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - OH:1 HCNN:1 - H:1 N2:1 HCO:1 - - - - - HCNN + H [=] CH2 + N2 - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCNN:1 - CH2:1 N2:1 - - - - - HNCO + O [=] NH + CO2 - - - 9.800000E+04 - 1.4099999999999999 - 8500.000000 - - - HNCO:1 O:1 - NH:1 CO2:1 - - - - - HNCO + O [=] HNO + CO - - - 1.500000E+05 - 1.5700000000000001 - 44000.000000 - - - HNCO:1 O:1 - CO:1 HNO:1 - - - - - HNCO + O [=] NCO + OH - - - 2.200000E+03 - 2.1099999999999999 - 11400.000000 - - - HNCO:1 O:1 - OH:1 NCO:1 - - - - - HNCO + H [=] NH2 + CO - - - 2.250000E+04 - 1.7 - 3800.000000 - - - HNCO:1 H:1 - CO:1 NH2:1 - - - - - HNCO + H [=] H2 + NCO - - - 1.050000E+02 - 2.5 - 13300.000000 - - - HNCO:1 H:1 - H2:1 NCO:1 - - - - - HNCO + OH [=] NCO + H2O - - - 3.300000E+04 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - H2O:1 NCO:1 - - - - - HNCO + OH [=] NH2 + CO2 - - - 3.300000E+03 - 1.5 - 3600.000000 - - - HNCO:1 OH:1 - CO2:1 NH2:1 - - - - - HNCO + M [=] NH + CO + M - - - 1.180000E+13 - 0 - 84720.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HNCO:1 - NH:1 CO:1 - - - - - HCNO + H [=] H + HNCO - - - 2.100000E+12 - -0.68999999999999995 - 2850.000000 - - - H:1 HCNO:1 - HNCO:1 H:1 - - - - - HCNO + H [=] OH + HCN - - - 2.700000E+08 - 0.17999999999999999 - 2120.000000 - - - H:1 HCNO:1 - HCN:1 OH:1 - - - - - HCNO + H [=] NH2 + CO - - - 1.700000E+11 - -0.75 - 2890.000000 - - - H:1 HCNO:1 - CO:1 NH2:1 - - - - - HOCN + H [=] H + HNCO - - - 2.000000E+04 - 2 - 2000.000000 - - - HOCN:1 H:1 - HNCO:1 H:1 - - - - - HCCO + NO [=] HCNO + CO - - - 9.000000E+09 - 0 - 0.000000 - - - HCCO:1 NO:1 - CO:1 HCNO:1 - - - - - CH3 + N [=] H2CN + H - - - 6.100000E+11 - -0.31 - 290.000000 - - - CH3:1 N:1 - H:1 H2CN:1 - - - - - CH3 + N [=] HCN + H2 - - - 3.700000E+09 - 0.14999999999999999 - -90.000000 - - - CH3:1 N:1 - H2:1 HCN:1 - - - - - NH3 + H [=] NH2 + H2 - - - 5.400000E+02 - 2.3999999999999999 - 9915.000000 - - - H:1 NH3:1 - H2:1 NH2:1 - - - - - NH3 + OH [=] NH2 + H2O - - - 5.000000E+04 - 1.6000000000000001 - 955.000000 - - - NH3:1 OH:1 - H2O:1 NH2:1 - - - - - NH3 + O [=] NH2 + OH - - - 9.400000E+03 - 1.9399999999999999 - 6460.000000 - - - O:1 NH3:1 - OH:1 NH2:1 - - - - - NH + CO2 [=] HNO + CO - - - 1.000000E+10 - 0 - 14350.000000 - - - NH:1 CO2:1 - CO:1 HNO:1 - - - - - CN + NO2 [=] NCO + NO - - - 6.160000E+12 - -0.752 - 345.000000 - - - CN:1 NO2:1 - NO:1 NCO:1 - - - - - NCO + NO2 [=] N2O + CO2 - - - 3.250000E+09 - 0 - -705.000000 - - - NO2:1 NCO:1 - CO2:1 N2O:1 - - - - - N + CO2 [=] NO + CO - - - 3.000000E+09 - 0 - 11300.000000 - - - CO2:1 N:1 - CO:1 NO:1 - - - - - O + CH3 =] H + H2 + CO - - - 3.370000E+10 - 0 - 0.000000 - - - CH3:1 O:1 - H2:1 H:1 CO:1 - - - - - O + C2H4 [=] H + CH2CHO - - - 6.700000E+03 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1 - H:1 CH2CHO:1 - - - - - O + C2H5 [=] H + CH3CHO - - - 1.096000E+11 - 0 - 0.000000 - - - C2H5:1 O:1 - H:1 CH3CHO:1 - - - - - OH + HO2 [=] O2 + H2O - - - 5.000000E+12 - 0 - 17330.000000 - - - HO2:1 OH:1 - H2O:1 O2:1 - - - - - OH + CH3 =] H2 + CH2O - - - 8.000000E+06 - 0.5 - -1755.000000 - - - CH3:1 OH:1 - H2:1 CH2O:1 - - - - - CH + H2 (+ M) [=] CH3 (+ M) - - - 1.970000E+09 - 0.42999999999999999 - -370.000000 - - - 4.820000E+19 - -2.7999999999999998 - 590.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.578 122 2535 9365 - - H2:1 CH:1 - CH3:1 - - - - - CH2 + O2 =] 2 H + CO2 - - - 5.800000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - H:2 CO2:1 - - - - - CH2 + O2 [=] O + CH2O - - - 2.400000E+09 - 0 - 1500.000000 - - - CH2:1 O2:1 - CH2O:1 O:1 - - - - - CH2 + CH2 =] 2 H + C2H2 - - - 2.000000E+11 - 0 - 10989.000000 - - - CH2:2 - H:2 C2H2:1 - - - - - CH2(S) + H2O =] H2 + CH2O - - - 6.820000E+07 - 0.25 - -935.000000 - - - CH2(S):1 H2O:1 - H2:1 CH2O:1 - - - - - C2H3 + O2 [=] O + CH2CHO - - - 3.030000E+08 - 0.28999999999999998 - 11.000000 - - - C2H3:1 O2:1 - CH2CHO:1 O:1 - - - - - C2H3 + O2 [=] HO2 + C2H2 - - - 1.337000E+03 - 1.6100000000000001 - -384.000000 - - - C2H3:1 O2:1 - HO2:1 C2H2:1 - - - - - O + CH3CHO [=] OH + CH2CHO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH2CHO:1 OH:1 - - - - - O + CH3CHO =] OH + CH3 + CO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1 - CH3:1 CO:1 OH:1 - - - - - O2 + CH3CHO =] HO2 + CH3 + CO - - - 3.010000E+10 - 0 - 39150.000000 - - - CH3CHO:1 O2:1 - CO:1 CH3:1 HO2:1 - - - - - H + CH3CHO [=] CH2CHO + H2 - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH2CHO:1 - - - - - H + CH3CHO =] CH3 + H2 + CO - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1 CH3CHO:1 - H2:1 CH3:1 CO:1 - - - - - OH + CH3CHO =] CH3 + H2O + CO - - - 2.343000E+07 - 0.72999999999999998 - -1113.000000 - - - CH3CHO:1 OH:1 - H2O:1 CH3:1 CO:1 - - - - - HO2 + CH3CHO =] CH3 + H2O2 + CO - - - 3.010000E+09 - 0 - 11923.000000 - - - CH3CHO:1 HO2:1 - CH3:1 CO:1 H2O2:1 - - - - - CH3 + CH3CHO =] CH3 + CH4 + CO - - - 2.720000E+03 - 1.77 - 5920.000000 - - - CH3CHO:1 CH3:1 - CO:1 CH3:1 CH4:1 - - - - - H + CH2CO (+ M) [=] CH2CHO (+ M) - - - 4.865000E+08 - 0.42199999999999999 - -1755.000000 - - - 1.012000E+36 - -7.6299999999999999 - 3854.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.465 201 1773 5333 - - H:1 CH2CO:1 - CH2CHO:1 - - - - - O + CH2CHO =] H + CH2 + CO2 - - - 1.500000E+11 - 0 - 0.000000 - - - CH2CHO:1 O:1 - H:1 CH2:1 CO2:1 - - - - - O2 + CH2CHO =] OH + CO + CH2O - - - 1.810000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - CH2O:1 CO:1 OH:1 - - - - - O2 + CH2CHO =] OH + 2 HCO - - - 2.350000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1 - HCO:2 OH:1 - - - - - H + CH2CHO [=] CH3 + HCO - - - 2.200000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - CH3:1 HCO:1 - - - - - H + CH2CHO [=] CH2CO + H2 - - - 1.100000E+10 - 0 - 0.000000 - - - H:1 CH2CHO:1 - H2:1 CH2CO:1 - - - - - OH + CH2CHO [=] H2O + CH2CO - - - 1.200000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - H2O:1 CH2CO:1 - - - - - OH + CH2CHO [=] HCO + CH2OH - - - 3.010000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1 - CH2OH:1 HCO:1 - - - - - CH3 + C2H5 (+ M) [=] C3H8 (+ M) - - - 9.430000E+09 - 0 - 0.000000 - - - 2.710000E+68 - -16.82 - 13065.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1527 291 2742 7748 - - C2H5:1 CH3:1 - C3H8:1 - - - - - O + C3H8 [=] OH + C3H7 - - - 1.930000E+02 - 2.6800000000000002 - 3716.000000 - - - C3H8:1 O:1 - C3H7:1 OH:1 - - - - - H + C3H8 [=] C3H7 + H2 - - - 1.320000E+03 - 2.54 - 6756.000000 - - - H:1 C3H8:1 - H2:1 C3H7:1 - - - - - OH + C3H8 [=] C3H7 + H2O - - - 3.160000E+04 - 1.8 - 934.000000 - - - C3H8:1 OH:1 - C3H7:1 H2O:1 - - - - - C3H7 + H2O2 [=] HO2 + C3H8 - - - 3.780000E-01 - 2.7200000000000002 - 1500.000000 - - - C3H7:1 H2O2:1 - HO2:1 C3H8:1 - - - - - CH3 + C3H8 [=] C3H7 + CH4 - - - 9.030000E-04 - 3.6499999999999999 - 7154.000000 - - - CH3:1 C3H8:1 - C3H7:1 CH4:1 - - - - - CH3 + C2H4 (+ M) [=] C3H7 (+ M) - - - 2.550000E+03 - 1.6000000000000001 - 5700.000000 - - - 3.000000E+57 - -14.6 - 18170.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1894 277 8748 7891 - - CH3:1 C2H4:1 - C3H7:1 - - - - - O + C3H7 [=] C2H5 + CH2O - - - 9.640000E+10 - 0 - 0.000000 - - - C3H7:1 O:1 - CH2O:1 C2H5:1 - - - - - H + C3H7 (+ M) [=] C3H8 (+ M) - - - 3.613000E+10 - 0 - 0.000000 - - - 4.420000E+55 - -13.545 - 11357.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.315 369 3285 6667 - - H:1 C3H7:1 - C3H8:1 - - - - - H + C3H7 [=] CH3 + C2H5 - - - 4.060000E+03 - 2.1899999999999999 - 890.000000 - - - H:1 C3H7:1 - C2H5:1 CH3:1 - - - - - OH + C3H7 [=] C2H5 + CH2OH - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 OH:1 - CH2OH:1 C2H5:1 - - - - - HO2 + C3H7 [=] O2 + C3H8 - - - 2.550000E+07 - 0.255 - -943.000000 - - - C3H7:1 HO2:1 - O2:1 C3H8:1 - - - - - HO2 + C3H7 =] OH + C2H5 + CH2O - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 HO2:1 - CH2O:1 C2H5:1 OH:1 - - - - - CH3 + C3H7 [=] 2 C2H5 - - - 1.927000E+10 - -0.32000000000000001 - 0.000000 - - - C3H7:1 CH3:1 - C2H5:2 - - - diff --git a/test_problems/NASA9poly_test/output_blessed.txt b/test_problems/NASA9poly_test/output_blessed.txt deleted file mode 100644 index 4296b6a92..000000000 --- a/test_problems/NASA9poly_test/output_blessed.txt +++ /dev/null @@ -1,47 +0,0 @@ -Comparisons of H2 calculated via several equivalent classes: -1500 K and 1 atm: - NasaThermo Nasa9 Nasa9_4reg - cp/R: 3.8823 3.8823 3.8823 - H/RT: 2.91015 2.91015 2.91015 - S/R: 21.5255 21.5255 21.5255 -Viscosity and thermal Cond vs. T - 400 1.0869e-05 0.2291 - 600 1.4145e-05 0.29844 - 800 1.7036e-05 0.36333 - 1000 1.9676e-05 0.42821 - 1200 2.2132e-05 0.49363 - 1400 2.4445e-05 0.55933 - 1600 2.6644e-05 0.62489 - 1800 2.8746e-05 0.68996 - 2000 3.0767e-05 0.7542 - 2200 3.2716e-05 0.81739 - 2400 3.4603e-05 0.87934 - 2600 3.6434e-05 0.93991 - 2800 3.8214e-05 0.99898 - 3000 3.9949e-05 1.0565 - 3200 4.1642e-05 1.1124 - 3400 4.3296e-05 1.1666 - 3600 4.4915e-05 1.2191 - 3800 4.6501e-05 1.2699 - 4000 4.8056e-05 1.319 - 4200 4.9582e-05 1.3664 - 4400 5.1081e-05 1.4121 - 4600 5.2555e-05 1.456 - 4800 5.4004e-05 1.4983 - 5000 5.543e-05 1.5389 - 5200 5.6835e-05 1.5779 - 5400 5.8219e-05 1.6152 - 5600 5.9583e-05 1.6509 - 5800 6.0929e-05 1.685 - 6000 6.2256e-05 1.7176 - 6200 6.3566e-05 1.7485 - 6400 6.486e-05 1.778 - 6600 6.6137e-05 1.8059 - 6800 6.74e-05 1.8323 - 7000 6.8647e-05 1.8573 - 7200 6.988e-05 1.8808 - 7400 7.11e-05 1.9029 - 7600 7.2306e-05 1.9236 - 7800 7.3499e-05 1.9429 - 8000 7.468e-05 1.9609 - 8200 7.5849e-05 1.9775 diff --git a/test_problems/NASA9poly_test/runtest b/test_problems/NASA9poly_test/runtest deleted file mode 100755 index 3d3d450e0..000000000 --- a/test_problems/NASA9poly_test/runtest +++ /dev/null @@ -1,37 +0,0 @@ -#!/bin/sh -# -# - -temp_success="1" -/bin/rm -f output.txt outputa.txt -tname="NASA9poly_test" - -################################################################# -# -################################################################# -CANTERA_DATA=${CANTERA_DATA:=../../data/inputs}; export CANTERA_DATA - -CANTERA_BIN=${CANTERA_BIN:=../../bin} -./NASA9poly_test > output.txt -retnStat=$? -if [ $retnStat != "0" ] -then - temp_success="0" - echo "$tname ($tname test) returned with bad status, $retnStat, check output" - exit 1 -fi - -../../bin/exp3to2.sh output.txt > outputa.txt -diff -w outputa.txt output_blessed.txt > diff_test.out -retnStat=$? -if [ $retnStat = "0" ] -then - echo "successful diff comparison on $tname test" - exit 0 -else - echo "unsuccessful diff comparison on $tname test" - echo "FAILED" > csvCode.txt - temp_success="0" - exit 0 -fi - diff --git a/test_problems/SConscript b/test_problems/SConscript index 10686fba4..d01f5ef20 100644 --- a/test_problems/SConscript +++ b/test_problems/SConscript @@ -262,7 +262,6 @@ CompileAndTest('mixGasTransport', 'mixGasTransport', 'mixGasTransport', 'output_blessed.txt') CompileAndTest('multiGasTransport', 'multiGasTransport', 'multiGasTransport', 'output_blessed.txt') -CompileAndTest('NASA9poly', 'NASA9poly_test', 'NASA9poly_test', 'output_blessed.txt') negA = localenv.Program('negATest/negATest', mglob(env, 'negATest', 'cpp'),