diff --git a/Cantera/python/examples/fuel_cells/cleanup b/Cantera/python/examples/fuel_cells/cleanup index 40e1dbd9e..67063f5d3 100755 --- a/Cantera/python/examples/fuel_cells/cleanup +++ b/Cantera/python/examples/fuel_cells/cleanup @@ -2,4 +2,4 @@ # /bin/rm -rf equilibrate_log*.html /bin/rm -rf .cttmp* ct2ctml.log transport_log.xml vcs_equilibrate_res*.csv \ - catcomb.csv output_0.txt diff* + catcomb.csv output_0.txt diff* *tmp~ diff --git a/Cantera/python/examples/fuel_cells/output_blessed_0.txt b/Cantera/python/examples/fuel_cells/output_blessed_0.txt index 851bc0f97..c4bfe5488 100644 --- a/Cantera/python/examples/fuel_cells/output_blessed_0.txt +++ b/Cantera/python/examples/fuel_cells/output_blessed_0.txt @@ -29,9 +29,9 @@ OH'(ox) 0.0002061 H2O(ox) 1.12e-09 -ocv from zero current is: 1.13757806928 +ocv from zero current is: 1.1375780672 OCV from thermo equil is: 1.1375780672 Ea0 = -0.733444291655 -Ec0 = 0.404133777622 +Ec0 = 0.40413377554 polarization curve data written to file sofc.csv diff --git a/Cantera/python/examples/reactors/mix1_sim/output_blessed_0.txt b/Cantera/python/examples/reactors/mix1_sim/output_blessed_0.txt index 7b499427c..4238b5211 100644 --- a/Cantera/python/examples/reactors/mix1_sim/output_blessed_0.txt +++ b/Cantera/python/examples/reactors/mix1_sim/output_blessed_0.txt @@ -53,56 +53,56 @@ Maximum time step: 0.0222248 X Y Chem. Pot. / RT ------------- ------------ ------------ - H2 6.27858e-26 4.52548e-27 -73.7472 - H 6.40667e-36 2.3089e-37 -7.43615 - O -7.20447e-26 -4.12139e-26 + H2 -6.67941e-23 -4.81439e-24 + H -1.37394e-29 -4.95155e-31 + O 1.05229e-23 6.01975e-24 27.6163 O2 0.193727 0.221647 -26.3149 - OH -1.11833e-25 -6.80054e-26 - H2O 4.6875e-25 3.0194e-25 -175.68 - HO2 3.44811e-25 4.06932e-25 -78.8495 - H2O2 2.32639e-27 2.82936e-27 -144.007 - C 9.6316e-49 4.13634e-49 157.744 - CH 6.3808e-55 2.97022e-55 92.6731 - CH2 1.06303e-38 5.33147e-39 46.4692 - CH2(S) 5.51354e-40 2.76522e-40 59.1922 - CH3 8.66908e-25 4.66025e-25 -19.8456 + OH 1.53004e-22 9.30419e-23 -56.5557 + H2O 2.91766e-22 1.87938e-22 -169.246 + HO2 -4.26035e-22 -5.02789e-22 + H2O2 6.45082e-23 7.84548e-23 -133.777 + C 1.08367e-41 4.65388e-42 173.98 + CH 9.40568e-44 4.37828e-44 118.39 + CH2 -2.08391e-30 -1.04515e-30 + CH2(S) -1.0823e-31 -5.42809e-32 + CH3 1.11024e-20 5.96834e-21 -10.3878 CH4 0.0774913 0.0444499 -54.8803 - CO -9.56189e-25 -9.57639e-25 - CO2 -1.31922e-27 -2.0759e-27 - HCO -1.31408e-43 -1.36343e-43 - CH2O -4.00569e-27 -4.30049e-27 - CH2OH -6.14779e-43 -6.82179e-43 - CH3O 4.44663e-37 4.93412e-37 -104.647 - CH3OH -4.75169e-26 -5.44388e-26 - C2H 6.03881e-58 5.40443e-58 69.5849 - C2H2 1.52623e-27 1.4209e-27 5.57512 - C2H3 7.75323e-54 7.49758e-54 -30.2547 - C2H4 1.44138e-34 1.4458e-34 -83.253 - C2H5 1.0288e-40 1.06903e-40 -74.2256 - C2H6 1.99966e-26 2.14992e-26 -120.36 - HCCO -3.782e-51 -5.54823e-51 - CH2CO -1.47235e-31 -2.21301e-31 - HCCOH 3.2183e-46 4.83725e-46 -101.685 - N -9.15201e-49 -4.58344e-49 - NH 1.28208e-48 6.88289e-49 11.0188 - NH2 9.73847e-32 5.57908e-32 -17.8651 - NH3 1.39623e-41 8.50208e-42 -135.658 - NNH 7.93639e-46 8.23531e-46 -30.8163 - NO 8.92707e-32 9.57761e-32 -60.2516 - NO2 -4.34793e-41 -7.15205e-41 - N2O -8.42223e-32 -1.3254e-31 - HNO 1.58336e-35 1.75581e-35 -64.1012 - CN -2.48257e-57 -2.30945e-57 - HCN 5.30006e-31 5.12148e-31 -41.5413 - H2CN 8.45525e-46 8.47508e-46 -31.5975 - HCNN 2.5427e-55 3.73044e-55 29.4769 - HCNO 2.27874e-49 3.50554e-49 -72.6234 - HOCN 3.83484e-50 5.8994e-50 -147.636 - HNCO -2.83441e-42 -4.36036e-42 - NCO -9.82455e-32 -1.47597e-31 + CO -3.89709e-22 -3.90299e-22 + CO2 -7.3555e-23 -1.15744e-22 + HCO -2.26268e-34 -2.34765e-34 + CH2O -8.57457e-23 -9.2056e-23 + CH2OH -6.08085e-34 -6.74751e-34 + CH3O 4.49215e-29 4.98463e-29 -86.2166 + CH3OH -1.32408e-21 -1.51696e-21 + C2H -6.63826e-54 -5.9409e-54 + C2H2 2.33532e-29 2.17415e-29 1.39529 + C2H3 -3.50144e-43 -3.38599e-43 + C2H4 1.25986e-28 1.26372e-28 -69.5721 + C2H5 1.97031e-31 2.04735e-31 -52.8525 + C2H6 5.5958e-22 6.01629e-22 -110.12 + HCCO -2.80493e-50 -4.11486e-50 + CH2CO 5.6831e-37 8.54198e-37 -131.674 + HCCOH 3.57889e-45 5.37925e-45 -99.2765 + N -2.72993e-52 -1.36719e-52 + NH -2.63888e-51 -1.41669e-51 + NH2 1.76051e-53 1.00858e-53 -67.9298 + NH3 -2.29731e-60 -1.3989e-60 + NNH -9.14155e-40 -9.48586e-40 + NO -1.51947e-32 -1.63019e-32 + NO2 1.62932e-40 2.68013e-40 -106.793 + N2O -3.67096e-33 -5.77694e-33 + HNO -4.5838e-37 -5.08303e-37 + CN 1.48193e-62 1.37859e-62 9.13145 + HCN 6.66046e-44 6.43605e-44 -71.2464 + H2CN -9.30723e-50 -9.32907e-50 + HCNN 4.10305e-44 6.01967e-44 55.2839 + HCNO 2.43017e-44 3.7385e-44 -61.0461 + HOCN 5.52354e-60 8.49723e-60 -170.297 + HNCO 1.93475e-43 2.97635e-43 -174.643 + NCO -2.38702e-42 -3.58609e-42 N2 0.719557 0.720727 -23.3621 AR 0.00922509 0.0131766 -23.2957 - C3H7 -5.91476e-49 -9.1125e-49 - C3H8 -1.41189e-43 -2.22609e-43 - CH2CHO 2.89798e-52 4.46025e-52 -140.817 - CH3CHO 6.89333e-43 1.08579e-42 -195.453 + C3H7 2.35833e-43 3.63333e-43 -92.6765 + C3H8 -1.98071e-36 -3.12294e-36 + CH2CHO -1.30696e-41 -2.01153e-41 + CH3CHO 3.98305e-42 6.2738e-42 -193.699 diff --git a/Cantera/python/examples/reactors/piston_sim/cleanup b/Cantera/python/examples/reactors/piston_sim/cleanup index 40e1dbd9e..2374f570d 100755 --- a/Cantera/python/examples/reactors/piston_sim/cleanup +++ b/Cantera/python/examples/reactors/piston_sim/cleanup @@ -2,4 +2,4 @@ # /bin/rm -rf equilibrate_log*.html /bin/rm -rf .cttmp* ct2ctml.log transport_log.xml vcs_equilibrate_res*.csv \ - catcomb.csv output_0.txt diff* + catcomb.csv output_0.txt diff* gri30.xml h2o2.xml diff --git a/Cantera/python/examples/reactors/piston_sim/output_blessed_0.txt b/Cantera/python/examples/reactors/piston_sim/output_blessed_0.txt index e3d4dafe4..f528e19eb 100644 --- a/Cantera/python/examples/reactors/piston_sim/output_blessed_0.txt +++ b/Cantera/python/examples/reactors/piston_sim/output_blessed_0.txt @@ -11,21 +11,21 @@ Maximum time step: 0.002 0.002 900.0 900.0006 0.5 0.1 0.6 0.2853 0.004 900.0 900.0017 0.5 0.1 0.6 0.2853 0.006 900.0 900.0108 0.5 0.1 0.6 0.2853 - 0.008 2094.1 1073.0950 0.5423 0.0577 0.6 0.2853 - 0.010 2232.8 1087.5289 0.5447 0.05533 0.6 0.2853 - 0.012 2245.4 1089.1484 0.5449 0.05514 0.6 0.2853 - 0.014 2248.6 1090.1364 0.5449 0.05512 0.6 0.2852 - 0.016 2249.7 1091.4073 0.5448 0.05515 0.6 0.2851 - 0.018 2250.1 1093.3910 0.5448 0.05523 0.6 0.2849 - 0.020 2250.4 1096.5040 0.5446 0.05536 0.6 0.2845 - 0.022 2250.8 1101.2701 0.5445 0.05555 0.6 0.284 - 0.024 2251.4 1108.4677 0.5442 0.05584 0.6 0.2833 - 0.026 2252.3 1119.5404 0.5437 0.0563 0.6 0.2822 - 0.028 2253.7 1138.1891 0.5429 0.05705 0.6 0.2802 - 0.030 2257.3 1183.3660 0.5411 0.05886 0.6 0.2755 - 0.032 2358.9 2820.1201 0.4913 0.1087 0.6 0.03655 - 0.034 2351.1 2819.4428 0.4911 0.1089 0.6 0.0365 - 0.036 2350.5 2819.3898 0.491 0.109 0.6 0.03649 + 0.008 2094.0 1073.0922 0.5423 0.0577 0.6 0.2853 + 0.010 2232.8 1087.5284 0.5447 0.05533 0.6 0.2853 + 0.012 2245.4 1089.1480 0.5449 0.05514 0.6 0.2853 + 0.014 2248.6 1090.1361 0.5449 0.05512 0.6 0.2852 + 0.016 2249.7 1091.4070 0.5448 0.05515 0.6 0.2851 + 0.018 2250.1 1093.3907 0.5448 0.05523 0.6 0.2849 + 0.020 2250.4 1096.5035 0.5446 0.05536 0.6 0.2845 + 0.022 2250.8 1101.2697 0.5445 0.05555 0.6 0.284 + 0.024 2251.4 1108.4670 0.5442 0.05584 0.6 0.2833 + 0.026 2252.3 1119.5392 0.5437 0.0563 0.6 0.2822 + 0.028 2253.7 1138.1869 0.5429 0.05705 0.6 0.2802 + 0.030 2257.3 1183.3585 0.5411 0.05886 0.6 0.2755 + 0.032 2358.9 2820.1203 0.4913 0.1087 0.6 0.03655 + 0.034 2351.1 2819.4429 0.4911 0.1089 0.6 0.0365 + 0.036 2350.5 2819.3899 0.491 0.109 0.6 0.03649 0.038 2350.4 2819.3860 0.491 0.109 0.6 0.03649 0.040 2350.4 2819.3857 0.491 0.109 0.6 0.03649 0.042 2350.4 2819.3857 0.491 0.109 0.6 0.03649 diff --git a/Cantera/python/examples/reactors/reactor1_sim/output_blessed_0.txt b/Cantera/python/examples/reactors/reactor1_sim/output_blessed_0.txt index d0bda3e88..e01140c44 100644 --- a/Cantera/python/examples/reactors/reactor1_sim/output_blessed_0.txt +++ b/Cantera/python/examples/reactors/reactor1_sim/output_blessed_0.txt @@ -27,77 +27,77 @@ Maximum time step: 1e-05 2.100e-04 1001.121 101325.000 6.207272e+05 2.200e-04 1001.200 101325.000 6.206998e+05 2.300e-04 1001.340 101325.000 6.206504e+05 - 2.400e-04 1001.605 101325.000 6.205559e+05 + 2.400e-04 1001.605 101325.000 6.205558e+05 2.500e-04 1002.143 101325.000 6.203620e+05 - 2.600e-04 1003.306 101325.000 6.199379e+05 - 2.700e-04 1005.922 101325.000 6.189784e+05 - 2.800e-04 1011.831 101325.001 6.168064e+05 - 2.900e-04 1025.563 101325.002 6.117624e+05 - 3.000e-04 1061.248 101325.005 5.986897e+05 - 3.100e-04 1190.850 101325.025 5.516418e+05 - 3.200e-04 1697.308 101325.031 3.765732e+05 - 3.300e-04 1941.711 101325.013 2.989421e+05 - 3.400e-04 2076.003 101325.008 2.577857e+05 - 3.500e-04 2167.606 101325.006 2.303083e+05 - 3.600e-04 2236.248 101325.005 2.100312e+05 - 3.700e-04 2290.516 101325.004 1.941874e+05 - 3.800e-04 2334.935 101325.003 1.813415e+05 - 3.900e-04 2372.179 101325.002 1.706547e+05 - 4.000e-04 2403.959 101325.002 1.615959e+05 - 4.100e-04 2431.436 101325.002 1.538081e+05 - 4.200e-04 2455.435 101325.002 1.470399e+05 - 4.300e-04 2476.559 101325.001 1.411080e+05 - 4.400e-04 2495.269 101325.001 1.358745e+05 - 4.500e-04 2511.920 101325.001 1.312326e+05 - 4.600e-04 2526.797 101325.001 1.270981e+05 - 4.700e-04 2540.128 101325.001 1.234032e+05 - 4.800e-04 2552.104 101325.001 1.200923e+05 - 4.900e-04 2562.882 101325.001 1.171190e+05 - 5.000e-04 2572.598 101325.001 1.144443e+05 - 5.100e-04 2581.366 101325.001 1.120350e+05 - 5.200e-04 2589.287 101325.001 1.098623e+05 - 5.300e-04 2596.446 101325.000 1.079013e+05 - 5.400e-04 2602.922 101325.000 1.061301e+05 - 5.500e-04 2608.782 101325.000 1.045296e+05 - 5.600e-04 2614.085 101325.000 1.030827e+05 - 5.700e-04 2618.887 101325.000 1.017743e+05 + 2.600e-04 1003.307 101325.000 6.199379e+05 + 2.700e-04 1005.923 101325.000 6.189783e+05 + 2.800e-04 1011.832 101325.001 6.168062e+05 + 2.900e-04 1025.564 101325.002 6.117618e+05 + 3.000e-04 1061.252 101325.005 5.986882e+05 + 3.100e-04 1190.870 101325.025 5.516348e+05 + 3.200e-04 1697.335 101325.031 3.765645e+05 + 3.300e-04 1941.724 101325.013 2.989383e+05 + 3.400e-04 2076.010 101325.008 2.577833e+05 + 3.500e-04 2167.611 101325.006 2.303067e+05 + 3.600e-04 2236.252 101325.005 2.100299e+05 + 3.700e-04 2290.520 101325.004 1.941864e+05 + 3.800e-04 2334.938 101325.003 1.813407e+05 + 3.900e-04 2372.181 101325.002 1.706540e+05 + 4.000e-04 2403.961 101325.002 1.615953e+05 + 4.100e-04 2431.438 101325.002 1.538075e+05 + 4.200e-04 2455.436 101325.002 1.470394e+05 + 4.300e-04 2476.561 101325.001 1.411076e+05 + 4.400e-04 2495.270 101325.001 1.358741e+05 + 4.500e-04 2511.921 101325.001 1.312323e+05 + 4.600e-04 2526.798 101325.001 1.270978e+05 + 4.700e-04 2540.129 101325.001 1.234030e+05 + 4.800e-04 2552.105 101325.001 1.200921e+05 + 4.900e-04 2562.883 101325.001 1.171188e+05 + 5.000e-04 2572.599 101325.001 1.144442e+05 + 5.100e-04 2581.367 101325.001 1.120348e+05 + 5.200e-04 2589.287 101325.001 1.098621e+05 + 5.300e-04 2596.447 101325.000 1.079012e+05 + 5.400e-04 2602.923 101325.000 1.061300e+05 + 5.500e-04 2608.782 101325.000 1.045295e+05 + 5.600e-04 2614.086 101325.000 1.030826e+05 + 5.700e-04 2618.887 101325.000 1.017742e+05 5.800e-04 2623.235 101325.000 1.005907e+05 - 5.900e-04 2627.172 101325.000 9.952006e+04 - 6.000e-04 2630.737 101325.000 9.855137e+04 - 6.100e-04 2633.966 101325.000 9.767490e+04 - 6.200e-04 2636.890 101325.000 9.688186e+04 - 6.300e-04 2639.539 101325.000 9.616433e+04 - 6.400e-04 2641.936 101325.000 9.551516e+04 - 6.500e-04 2644.107 101325.000 9.492788e+04 - 6.600e-04 2646.073 101325.000 9.439665e+04 - 6.700e-04 2647.852 101325.000 9.391619e+04 - 6.800e-04 2649.462 101325.000 9.348173e+04 - 6.900e-04 2650.919 101325.000 9.308893e+04 - 7.000e-04 2652.237 101325.000 9.273388e+04 - 7.100e-04 2653.429 101325.000 9.241303e+04 - 7.200e-04 2654.507 101325.000 9.212317e+04 - 7.300e-04 2655.482 101325.000 9.186139e+04 - 7.400e-04 2656.363 101325.000 9.162506e+04 - 7.500e-04 2657.159 101325.000 9.141178e+04 - 7.600e-04 2657.878 101325.000 9.121940e+04 - 7.700e-04 2658.528 101325.000 9.104596e+04 - 7.800e-04 2659.114 101325.000 9.088967e+04 - 7.900e-04 2659.642 101325.000 9.074893e+04 - 8.000e-04 2660.119 101325.000 9.062227e+04 - 8.100e-04 2660.548 101325.000 9.050839e+04 - 8.200e-04 2660.935 101325.000 9.040608e+04 - 8.300e-04 2661.283 101325.000 9.031425e+04 - 8.400e-04 2661.596 101325.000 9.023192e+04 - 8.500e-04 2661.878 101325.000 9.015820e+04 + 5.900e-04 2627.172 101325.000 9.951999e+04 + 6.000e-04 2630.738 101325.000 9.855130e+04 + 6.100e-04 2633.967 101325.000 9.767484e+04 + 6.200e-04 2636.891 101325.000 9.688181e+04 + 6.300e-04 2639.539 101325.000 9.616428e+04 + 6.400e-04 2641.936 101325.000 9.551512e+04 + 6.500e-04 2644.107 101325.000 9.492784e+04 + 6.600e-04 2646.073 101325.000 9.439662e+04 + 6.700e-04 2647.852 101325.000 9.391616e+04 + 6.800e-04 2649.462 101325.000 9.348170e+04 + 6.900e-04 2650.919 101325.000 9.308890e+04 + 7.000e-04 2652.237 101325.000 9.273385e+04 + 7.100e-04 2653.429 101325.000 9.241300e+04 + 7.200e-04 2654.507 101325.000 9.212315e+04 + 7.300e-04 2655.482 101325.000 9.186137e+04 + 7.400e-04 2656.363 101325.000 9.162504e+04 + 7.500e-04 2657.159 101325.000 9.141177e+04 + 7.600e-04 2657.878 101325.000 9.121939e+04 + 7.700e-04 2658.528 101325.000 9.104594e+04 + 7.800e-04 2659.114 101325.000 9.088965e+04 + 7.900e-04 2659.642 101325.000 9.074891e+04 + 8.000e-04 2660.119 101325.000 9.062226e+04 + 8.100e-04 2660.549 101325.000 9.050838e+04 + 8.200e-04 2660.935 101325.000 9.040607e+04 + 8.300e-04 2661.283 101325.000 9.031424e+04 + 8.400e-04 2661.596 101325.000 9.023191e+04 + 8.500e-04 2661.878 101325.000 9.015819e+04 8.600e-04 2662.130 101325.000 9.009228e+04 8.700e-04 2662.356 101325.000 9.003343e+04 8.800e-04 2662.559 101325.000 8.998099e+04 - 8.900e-04 2662.740 101325.000 8.993436e+04 + 8.900e-04 2662.740 101325.000 8.993435e+04 9.000e-04 2662.902 101325.000 8.989298e+04 - 9.100e-04 2663.046 101325.000 8.985637e+04 + 9.100e-04 2663.046 101325.000 8.985636e+04 9.200e-04 2663.174 101325.000 8.982407e+04 9.300e-04 2663.287 101325.000 8.979569e+04 - 9.400e-04 2663.388 101325.000 8.977086e+04 + 9.400e-04 2663.388 101325.000 8.977085e+04 9.500e-04 2663.476 101325.000 8.974923e+04 9.600e-04 2663.554 101325.000 8.973051e+04 9.700e-04 2663.622 101325.000 8.971443e+04 diff --git a/Cantera/python/examples/reactors/sensitivity_sim/output_blessed_0.txt b/Cantera/python/examples/reactors/sensitivity_sim/output_blessed_0.txt index a404e75f9..e01fd4fd6 100644 --- a/Cantera/python/examples/reactors/sensitivity_sim/output_blessed_0.txt +++ b/Cantera/python/examples/reactors/sensitivity_sim/output_blessed_0.txt @@ -111,7 +111,7 @@ Maximum time step: 5e-06 5.250e-04 1500.815 101325.000 9.067002e+05 0.001 -0.013 5.300e-04 1500.873 101325.000 9.066824e+05 0.001 -0.014 5.350e-04 1500.935 101325.000 9.066634e+05 0.001 -0.015 - 5.400e-04 1501.002 101325.000 9.066429e+05 0.001 -0.016 + 5.400e-04 1501.002 101325.000 9.066430e+05 0.001 -0.016 5.450e-04 1501.073 101325.000 9.066210e+05 0.001 -0.016 5.500e-04 1501.150 101325.000 9.065974e+05 0.001 -0.017 5.550e-04 1501.234 101325.000 9.065719e+05 0.001 -0.018 @@ -128,168 +128,168 @@ Maximum time step: 5e-06 6.100e-04 1502.778 101325.000 9.060982e+05 0.004 -0.038 6.150e-04 1503.011 101325.000 9.060267e+05 0.004 -0.041 6.200e-04 1503.268 101325.000 9.059474e+05 0.005 -0.044 - 6.250e-04 1503.555 101324.999 9.058592e+05 0.005 -0.048 - 6.300e-04 1503.874 101325.001 9.057608e+05 0.006 -0.052 - 6.350e-04 1504.232 101324.999 9.056504e+05 0.007 -0.057 + 6.250e-04 1503.555 101325.000 9.058592e+05 0.005 -0.048 + 6.300e-04 1503.874 101325.000 9.057608e+05 0.006 -0.052 + 6.350e-04 1504.232 101325.000 9.056504e+05 0.007 -0.057 6.400e-04 1504.634 101325.000 9.055261e+05 0.007 -0.061 6.450e-04 1505.089 101324.999 9.053855e+05 0.008 -0.067 - 6.500e-04 1505.605 101324.998 9.052256e+05 0.009 -0.073 - 6.550e-04 1506.195 101325.001 9.050429e+05 0.011 -0.079 - 6.600e-04 1506.872 101324.999 9.048330e+05 0.012 -0.086 - 6.650e-04 1507.653 101324.998 9.045905e+05 0.013 -0.094 - 6.700e-04 1508.559 101324.999 9.043090e+05 0.015 -0.102 - 6.750e-04 1509.614 101324.999 9.039807e+05 0.017 -0.110 - 6.800e-04 1510.849 101325.000 9.035961e+05 0.019 -0.118 + 6.500e-04 1505.605 101324.999 9.052256e+05 0.009 -0.073 + 6.550e-04 1506.195 101325.000 9.050429e+05 0.011 -0.079 + 6.600e-04 1506.872 101325.000 9.048330e+05 0.012 -0.086 + 6.650e-04 1507.653 101325.000 9.045905e+05 0.013 -0.094 + 6.700e-04 1508.559 101325.000 9.043090e+05 0.015 -0.102 + 6.750e-04 1509.614 101325.001 9.039807e+05 0.017 -0.110 + 6.800e-04 1510.850 101325.000 9.035962e+05 0.019 -0.118 6.850e-04 1512.299 101325.000 9.031445e+05 0.022 -0.126 - 6.900e-04 1514.003 101325.000 9.026132e+05 0.025 -0.134 + 6.900e-04 1514.004 101325.000 9.026132e+05 0.025 -0.134 6.950e-04 1516.006 101325.000 9.019888e+05 0.028 -0.140 - 7.000e-04 1518.351 101325.000 9.012571e+05 0.031 -0.145 - 7.050e-04 1521.083 101325.000 9.004047e+05 0.035 -0.149 - 7.100e-04 1524.239 101325.000 8.994201e+05 0.040 -0.150 - 7.150e-04 1527.844 101325.001 8.982952e+05 0.045 -0.150 + 7.000e-04 1518.351 101325.000 9.012572e+05 0.031 -0.145 + 7.050e-04 1521.083 101325.000 9.004048e+05 0.035 -0.149 + 7.100e-04 1524.239 101325.000 8.994202e+05 0.040 -0.150 + 7.150e-04 1527.845 101325.001 8.982952e+05 0.045 -0.150 7.200e-04 1531.914 101325.001 8.970259e+05 0.051 -0.149 7.250e-04 1536.446 101325.001 8.956129e+05 0.058 -0.147 7.300e-04 1541.427 101325.001 8.940605e+05 0.067 -0.146 7.350e-04 1546.838 101325.001 8.923750e+05 0.078 -0.146 7.400e-04 1552.656 101325.001 8.905635e+05 0.091 -0.149 - 7.450e-04 1558.863 101325.001 8.886320e+05 0.108 -0.154 + 7.450e-04 1558.864 101325.001 8.886320e+05 0.108 -0.154 7.500e-04 1565.447 101325.001 8.865850e+05 0.129 -0.161 7.550e-04 1572.396 101325.001 8.844257e+05 0.154 -0.170 - 7.600e-04 1579.701 101325.001 8.821579e+05 0.184 -0.181 + 7.600e-04 1579.701 101325.001 8.821580e+05 0.184 -0.181 7.650e-04 1587.335 101325.001 8.797903e+05 0.217 -0.192 7.700e-04 1595.236 101325.001 8.773424e+05 0.253 -0.201 7.750e-04 1603.274 101325.001 8.748553e+05 0.288 -0.205 7.800e-04 1611.217 101325.001 8.724012e+05 0.315 -0.199 7.850e-04 1618.721 101325.001 8.700879e+05 0.326 -0.180 - 7.900e-04 1625.375 101325.001 8.680426e+05 0.314 -0.148 + 7.900e-04 1625.375 101325.001 8.680427e+05 0.314 -0.148 7.950e-04 1630.840 101325.001 8.663710e+05 0.278 -0.108 8.000e-04 1634.989 101325.000 8.651113e+05 0.225 -0.068 8.050e-04 1637.955 101325.000 8.642218e+05 0.167 -0.036 8.100e-04 1640.029 101325.000 8.636112e+05 0.117 -0.017 - 8.150e-04 1641.520 101325.000 8.631828e+05 0.080 -0.008 - 8.200e-04 1642.671 101325.000 8.628609e+05 0.055 -0.005 + 8.150e-04 1641.520 101325.000 8.631829e+05 0.080 -0.008 + 8.200e-04 1642.671 101325.000 8.628610e+05 0.055 -0.005 8.250e-04 1643.643 101325.000 8.625958e+05 0.040 -0.006 8.300e-04 1644.529 101325.000 8.623583e+05 0.031 -0.007 - 8.350e-04 1645.380 101325.000 8.621327e+05 0.026 -0.009 + 8.350e-04 1645.380 101325.000 8.621327e+05 0.026 -0.008 8.400e-04 1646.221 101325.000 8.619110e+05 0.022 -0.009 8.450e-04 1647.065 101325.000 8.616893e+05 0.020 -0.009 8.500e-04 1647.918 101325.000 8.614658e+05 0.019 -0.008 8.550e-04 1648.781 101325.000 8.612398e+05 0.017 -0.008 8.600e-04 1649.655 101325.000 8.610111e+05 0.016 -0.007 8.650e-04 1650.540 101325.000 8.607799e+05 0.015 -0.006 - 8.700e-04 1651.434 101325.000 8.605463e+05 0.014 -0.005 + 8.700e-04 1651.434 101325.000 8.605464e+05 0.014 -0.005 8.750e-04 1652.336 101325.000 8.603108e+05 0.013 -0.004 - 8.800e-04 1653.246 101325.000 8.600734e+05 0.012 -0.003 + 8.800e-04 1653.246 101325.000 8.600735e+05 0.012 -0.003 8.850e-04 1654.161 101325.000 8.598347e+05 0.011 -0.003 8.900e-04 1655.081 101325.000 8.595948e+05 0.010 -0.002 8.950e-04 1656.005 101325.000 8.593541e+05 0.009 -0.001 9.000e-04 1656.931 101325.000 8.591129e+05 0.008 -0.001 9.050e-04 1657.859 101325.000 8.588714e+05 0.008 -0.000 - 9.100e-04 1658.787 101325.000 8.586299e+05 0.007 0.000 + 9.100e-04 1658.787 101325.000 8.586299e+05 0.007 0.001 9.150e-04 1659.714 101325.000 8.583887e+05 0.006 0.001 9.200e-04 1660.640 101325.000 8.581480e+05 0.005 0.002 9.250e-04 1661.563 101325.000 8.579080e+05 0.005 0.002 9.300e-04 1662.483 101325.000 8.576689e+05 0.004 0.002 9.350e-04 1663.399 101325.000 8.574310e+05 0.003 0.003 9.400e-04 1664.311 101325.000 8.571944e+05 0.003 0.003 - 9.450e-04 1665.217 101325.000 8.569592e+05 0.002 0.004 - 9.500e-04 1666.117 101325.000 8.567257e+05 0.002 0.004 - 9.550e-04 1667.010 101325.000 8.564940e+05 0.001 0.004 + 9.450e-04 1665.217 101325.000 8.569593e+05 0.002 0.004 + 9.500e-04 1666.117 101325.000 8.567258e+05 0.002 0.004 + 9.550e-04 1667.010 101325.000 8.564941e+05 0.001 0.004 9.600e-04 1667.896 101325.000 8.562643e+05 0.001 0.005 - 9.650e-04 1668.775 101325.000 8.560365e+05 0.000 0.005 + 9.650e-04 1668.775 101325.000 8.560366e+05 0.000 0.005 9.700e-04 1669.645 101325.000 8.558110e+05 -0.000 0.005 9.750e-04 1670.508 101325.000 8.555877e+05 -0.001 0.005 - 9.800e-04 1671.361 101325.000 8.553667e+05 -0.001 0.005 + 9.800e-04 1671.361 101325.000 8.553667e+05 -0.001 0.006 9.850e-04 1672.205 101325.000 8.551482e+05 -0.002 0.006 - 9.900e-04 1673.040 101325.000 8.549321e+05 -0.002 0.006 + 9.900e-04 1673.040 101325.000 8.549322e+05 -0.002 0.006 9.950e-04 1673.865 101325.000 8.547187e+05 -0.002 0.006 - 1.000e-03 1674.680 101325.000 8.545078e+05 -0.003 0.006 + 1.000e-03 1674.680 101325.000 8.545079e+05 -0.003 0.006 1.005e-03 1675.485 101325.000 8.542997e+05 -0.003 0.006 1.010e-03 1676.279 101325.000 8.540942e+05 -0.003 0.007 1.015e-03 1677.064 101325.000 8.538915e+05 -0.004 0.007 1.020e-03 1677.837 101325.000 8.536916e+05 -0.004 0.007 - 1.025e-03 1678.601 101325.000 8.534944e+05 -0.004 0.007 + 1.025e-03 1678.601 101325.000 8.534945e+05 -0.004 0.007 1.030e-03 1679.353 101325.000 8.533001e+05 -0.004 0.007 1.035e-03 1680.095 101325.000 8.531086e+05 -0.005 0.007 1.040e-03 1680.825 101325.000 8.529199e+05 -0.005 0.007 1.045e-03 1681.545 101325.000 8.527341e+05 -0.005 0.007 - 1.050e-03 1682.254 101325.000 8.525510e+05 -0.005 0.007 - 1.055e-03 1682.953 101325.000 8.523708e+05 -0.006 0.007 - 1.060e-03 1683.640 101325.000 8.521935e+05 -0.006 0.007 + 1.050e-03 1682.255 101325.000 8.525511e+05 -0.005 0.007 + 1.055e-03 1682.953 101325.000 8.523709e+05 -0.006 0.007 + 1.060e-03 1683.641 101325.000 8.521935e+05 -0.006 0.007 1.065e-03 1684.317 101325.000 8.520189e+05 -0.006 0.007 - 1.070e-03 1684.984 101325.000 8.518471e+05 -0.006 0.007 + 1.070e-03 1684.984 101325.000 8.518471e+05 -0.006 0.008 1.075e-03 1685.639 101325.000 8.516781e+05 -0.006 0.008 1.080e-03 1686.284 101325.000 8.515118e+05 -0.007 0.008 1.085e-03 1686.919 101325.000 8.513482e+05 -0.007 0.008 1.090e-03 1687.543 101325.000 8.511874e+05 -0.007 0.008 1.095e-03 1688.157 101325.000 8.510292e+05 -0.007 0.008 - 1.100e-03 1688.761 101325.000 8.508736e+05 -0.007 0.008 - 1.105e-03 1689.354 101325.000 8.507207e+05 -0.007 0.008 + 1.100e-03 1688.761 101325.000 8.508737e+05 -0.007 0.008 + 1.105e-03 1689.354 101325.000 8.507208e+05 -0.007 0.008 1.110e-03 1689.938 101325.000 8.505704e+05 -0.008 0.008 1.115e-03 1690.512 101325.000 8.504226e+05 -0.008 0.008 - 1.120e-03 1691.076 101325.000 8.502773e+05 -0.008 0.008 + 1.120e-03 1691.076 101325.000 8.502774e+05 -0.008 0.008 1.125e-03 1691.631 101325.000 8.501346e+05 -0.008 0.008 - 1.130e-03 1692.176 101325.000 8.499942e+05 -0.008 0.008 - 1.135e-03 1692.712 101325.000 8.498563e+05 -0.008 0.008 - 1.140e-03 1693.239 101325.000 8.497208e+05 -0.008 0.008 + 1.130e-03 1692.176 101325.000 8.499943e+05 -0.008 0.008 + 1.135e-03 1692.712 101325.000 8.498564e+05 -0.008 0.008 + 1.140e-03 1693.239 101325.000 8.497209e+05 -0.008 0.008 1.145e-03 1693.756 101325.000 8.495877e+05 -0.008 0.008 1.150e-03 1694.265 101325.000 8.494568e+05 -0.008 0.007 1.155e-03 1694.765 101325.000 8.493282e+05 -0.009 0.007 1.160e-03 1695.256 101325.000 8.492019e+05 -0.009 0.007 - 1.165e-03 1695.739 101325.000 8.490777e+05 -0.009 0.007 - 1.170e-03 1696.213 101325.000 8.489557e+05 -0.009 0.007 + 1.165e-03 1695.739 101325.000 8.490778e+05 -0.009 0.007 + 1.170e-03 1696.213 101325.000 8.489558e+05 -0.009 0.007 1.175e-03 1696.679 101325.000 8.488359e+05 -0.009 0.007 - 1.180e-03 1697.137 101325.000 8.487181e+05 -0.009 0.007 - 1.185e-03 1697.587 101325.000 8.486024e+05 -0.009 0.007 + 1.180e-03 1697.137 101325.000 8.487182e+05 -0.009 0.007 + 1.185e-03 1697.587 101325.000 8.486025e+05 -0.009 0.007 1.190e-03 1698.029 101325.000 8.484888e+05 -0.009 0.007 1.195e-03 1698.464 101325.000 8.483771e+05 -0.009 0.007 - 1.200e-03 1698.891 101325.000 8.482673e+05 -0.009 0.007 + 1.200e-03 1698.891 101325.000 8.482674e+05 -0.009 0.007 1.205e-03 1699.311 101325.000 8.481595e+05 -0.009 0.007 1.210e-03 1699.723 101325.000 8.480536e+05 -0.009 0.007 1.215e-03 1700.128 101325.000 8.479495e+05 -0.009 0.007 1.220e-03 1700.526 101325.000 8.478472e+05 -0.009 0.007 - 1.225e-03 1700.917 101325.000 8.477466e+05 -0.009 0.007 + 1.225e-03 1700.917 101325.000 8.477467e+05 -0.009 0.007 1.230e-03 1701.302 101325.000 8.476479e+05 -0.009 0.007 - 1.235e-03 1701.680 101325.000 8.475508e+05 -0.009 0.007 - 1.240e-03 1702.051 101325.000 8.474554e+05 -0.009 0.007 + 1.235e-03 1701.680 101325.000 8.475509e+05 -0.009 0.007 + 1.240e-03 1702.051 101325.000 8.474555e+05 -0.009 0.007 1.245e-03 1702.416 101325.000 8.473617e+05 -0.009 0.007 1.250e-03 1702.775 101325.000 8.472696e+05 -0.010 0.007 1.255e-03 1703.127 101325.000 8.471791e+05 -0.010 0.006 1.260e-03 1703.474 101325.000 8.470901e+05 -0.010 0.006 - 1.265e-03 1703.814 101325.000 8.470026e+05 -0.010 0.006 + 1.265e-03 1703.814 101325.000 8.470027e+05 -0.010 0.006 1.270e-03 1704.149 101325.000 8.469167e+05 -0.010 0.006 1.275e-03 1704.478 101325.000 8.468322e+05 -0.010 0.006 - 1.280e-03 1704.802 101325.000 8.467491e+05 -0.010 0.006 + 1.280e-03 1704.802 101325.000 8.467492e+05 -0.010 0.006 1.285e-03 1705.120 101325.000 8.466675e+05 -0.010 0.006 - 1.290e-03 1705.433 101325.000 8.465872e+05 -0.010 0.006 - 1.295e-03 1705.740 101325.000 8.465083e+05 -0.010 0.006 - 1.300e-03 1706.042 101325.000 8.464307e+05 -0.010 0.006 + 1.290e-03 1705.433 101325.000 8.465873e+05 -0.010 0.006 + 1.295e-03 1705.740 101325.000 8.465084e+05 -0.010 0.006 + 1.300e-03 1706.042 101325.000 8.464308e+05 -0.010 0.006 1.305e-03 1706.340 101325.000 8.463545e+05 -0.010 0.006 1.310e-03 1706.632 101325.000 8.462795e+05 -0.010 0.006 1.315e-03 1706.919 101325.000 8.462057e+05 -0.010 0.006 1.320e-03 1707.202 101325.000 8.461332e+05 -0.010 0.006 1.325e-03 1707.480 101325.000 8.460619e+05 -0.010 0.006 - 1.330e-03 1707.753 101325.000 8.459917e+05 -0.010 0.006 - 1.335e-03 1708.022 101325.000 8.459227e+05 -0.010 0.005 + 1.330e-03 1707.753 101325.000 8.459918e+05 -0.010 0.006 + 1.335e-03 1708.022 101325.000 8.459228e+05 -0.010 0.005 1.340e-03 1708.286 101325.000 8.458549e+05 -0.010 0.005 - 1.345e-03 1708.547 101325.000 8.457881e+05 -0.010 0.005 - 1.350e-03 1708.802 101325.000 8.457225e+05 -0.010 0.005 + 1.345e-03 1708.547 101325.000 8.457882e+05 -0.010 0.005 + 1.350e-03 1708.803 101325.000 8.457225e+05 -0.010 0.005 1.355e-03 1709.054 101325.000 8.456579e+05 -0.010 0.005 1.360e-03 1709.302 101325.000 8.455944e+05 -0.010 0.005 - 1.365e-03 1709.546 101325.000 8.455318e+05 -0.010 0.005 - 1.370e-03 1709.785 101325.000 8.454703e+05 -0.010 0.005 - 1.375e-03 1710.021 101325.000 8.454098e+05 -0.010 0.005 + 1.365e-03 1709.546 101325.000 8.455319e+05 -0.010 0.005 + 1.370e-03 1709.785 101325.000 8.454704e+05 -0.010 0.005 + 1.375e-03 1710.021 101325.000 8.454099e+05 -0.010 0.005 1.380e-03 1710.254 101325.000 8.453503e+05 -0.010 0.005 1.385e-03 1710.482 101325.000 8.452917e+05 -0.010 0.005 1.390e-03 1710.707 101325.000 8.452340e+05 -0.010 0.005 - 1.395e-03 1710.928 101325.000 8.451772e+05 -0.010 0.005 - 1.400e-03 1711.146 101325.000 8.451213e+05 -0.010 0.005 + 1.395e-03 1710.928 101325.000 8.451773e+05 -0.010 0.005 + 1.400e-03 1711.146 101325.000 8.451214e+05 -0.010 0.005 1.405e-03 1711.360 101325.000 8.450664e+05 -0.010 0.005 - 1.410e-03 1711.572 101325.000 8.450122e+05 -0.010 0.005 - 1.415e-03 1711.779 101325.000 8.449589e+05 -0.010 0.004 + 1.410e-03 1711.572 101325.000 8.450123e+05 -0.010 0.005 + 1.415e-03 1711.779 101325.000 8.449590e+05 -0.010 0.004 1.420e-03 1711.984 101325.000 8.449065e+05 -0.010 0.004 1.425e-03 1712.185 101325.000 8.448548e+05 -0.010 0.004 - 1.430e-03 1712.384 101325.000 8.448039e+05 -0.010 0.004 + 1.430e-03 1712.384 101325.000 8.448040e+05 -0.010 0.004 1.435e-03 1712.579 101325.000 8.447539e+05 -0.009 0.004 1.440e-03 1712.771 101325.000 8.447046e+05 -0.009 0.004 1.445e-03 1712.961 101325.000 8.446560e+05 -0.009 0.004 @@ -297,111 +297,111 @@ Maximum time step: 5e-06 1.455e-03 1713.331 101325.000 8.445611e+05 -0.009 0.004 1.460e-03 1713.512 101325.000 8.445147e+05 -0.009 0.004 1.465e-03 1713.690 101325.000 8.444690e+05 -0.009 0.004 - 1.470e-03 1713.866 101325.000 8.444239e+05 -0.009 0.004 + 1.470e-03 1713.866 101325.000 8.444240e+05 -0.009 0.004 1.475e-03 1714.039 101325.000 8.443796e+05 -0.009 0.004 1.480e-03 1714.209 101325.000 8.443359e+05 -0.009 0.004 - 1.485e-03 1714.377 101325.000 8.442928e+05 -0.009 0.004 - 1.490e-03 1714.542 101325.000 8.442504e+05 -0.009 0.004 - 1.495e-03 1714.705 101325.000 8.442086e+05 -0.009 0.003 - 1.500e-03 1714.866 101325.000 8.441674e+05 -0.009 0.003 - 1.505e-03 1715.024 101325.000 8.441268e+05 -0.009 0.003 - 1.510e-03 1715.180 101325.000 8.440868e+05 -0.009 0.003 + 1.485e-03 1714.377 101325.000 8.442929e+05 -0.009 0.004 + 1.490e-03 1714.542 101325.000 8.442505e+05 -0.009 0.004 + 1.495e-03 1714.705 101325.000 8.442087e+05 -0.009 0.003 + 1.500e-03 1714.866 101325.000 8.441675e+05 -0.009 0.003 + 1.505e-03 1715.024 101325.000 8.441269e+05 -0.009 0.003 + 1.510e-03 1715.180 101325.000 8.440869e+05 -0.009 0.003 1.515e-03 1715.334 101325.000 8.440474e+05 -0.009 0.003 - 1.520e-03 1715.486 101325.000 8.440085e+05 -0.009 0.003 - 1.525e-03 1715.635 101325.000 8.439702e+05 -0.009 0.003 + 1.520e-03 1715.486 101325.000 8.440086e+05 -0.009 0.003 + 1.525e-03 1715.635 101325.000 8.439703e+05 -0.009 0.003 1.530e-03 1715.782 101325.000 8.439325e+05 -0.009 0.003 - 1.535e-03 1715.928 101325.000 8.438952e+05 -0.009 0.003 - 1.540e-03 1716.071 101325.000 8.438585e+05 -0.009 0.003 - 1.545e-03 1716.212 101325.000 8.438223e+05 -0.009 0.003 - 1.550e-03 1716.351 101325.000 8.437866e+05 -0.009 0.003 + 1.535e-03 1715.928 101325.000 8.438953e+05 -0.009 0.003 + 1.540e-03 1716.071 101325.000 8.438586e+05 -0.009 0.003 + 1.545e-03 1716.212 101325.000 8.438224e+05 -0.009 0.003 + 1.550e-03 1716.351 101325.000 8.437867e+05 -0.009 0.003 1.555e-03 1716.488 101325.000 8.437515e+05 -0.009 0.003 1.560e-03 1716.624 101325.000 8.437168e+05 -0.009 0.003 - 1.565e-03 1716.757 101325.000 8.436825e+05 -0.009 0.003 + 1.565e-03 1716.757 101325.000 8.436826e+05 -0.009 0.003 1.570e-03 1716.889 101325.000 8.436488e+05 -0.009 0.003 1.575e-03 1717.019 101325.000 8.436155e+05 -0.009 0.003 1.580e-03 1717.147 101325.000 8.435827e+05 -0.009 0.003 1.585e-03 1717.273 101325.000 8.435503e+05 -0.009 0.002 - 1.590e-03 1717.398 101325.000 8.435183e+05 -0.009 0.002 - 1.595e-03 1717.521 101325.000 8.434868e+05 -0.009 0.002 - 1.600e-03 1717.642 101325.000 8.434557e+05 -0.009 0.002 - 1.605e-03 1717.762 101325.000 8.434250e+05 -0.009 0.002 + 1.590e-03 1717.398 101325.000 8.435184e+05 -0.009 0.002 + 1.595e-03 1717.521 101325.000 8.434869e+05 -0.009 0.002 + 1.600e-03 1717.642 101325.000 8.434558e+05 -0.009 0.002 + 1.605e-03 1717.762 101325.000 8.434251e+05 -0.009 0.002 1.610e-03 1717.880 101325.000 8.433948e+05 -0.009 0.002 1.615e-03 1717.996 101325.000 8.433649e+05 -0.009 0.002 - 1.620e-03 1718.111 101325.000 8.433354e+05 -0.009 0.002 - 1.625e-03 1718.225 101325.000 8.433063e+05 -0.009 0.002 - 1.630e-03 1718.337 101325.000 8.432776e+05 -0.009 0.002 + 1.620e-03 1718.111 101325.000 8.433355e+05 -0.009 0.002 + 1.625e-03 1718.225 101325.000 8.433064e+05 -0.009 0.002 + 1.630e-03 1718.337 101325.000 8.432777e+05 -0.009 0.002 1.635e-03 1718.447 101325.000 8.432493e+05 -0.009 0.002 - 1.640e-03 1718.556 101325.000 8.432213e+05 -0.009 0.002 - 1.645e-03 1718.664 101325.000 8.431937e+05 -0.009 0.002 + 1.640e-03 1718.556 101325.000 8.432214e+05 -0.009 0.002 + 1.645e-03 1718.664 101325.000 8.431938e+05 -0.009 0.002 1.650e-03 1718.770 101325.000 8.431665e+05 -0.009 0.002 1.655e-03 1718.875 101325.000 8.431396e+05 -0.008 0.002 - 1.660e-03 1718.979 101325.000 8.431130e+05 -0.008 0.002 - 1.665e-03 1719.081 101325.000 8.430868e+05 -0.008 0.002 - 1.670e-03 1719.182 101325.000 8.430609e+05 -0.008 0.002 + 1.660e-03 1718.979 101325.000 8.431131e+05 -0.008 0.002 + 1.665e-03 1719.081 101325.000 8.430869e+05 -0.008 0.002 + 1.670e-03 1719.182 101325.000 8.430610e+05 -0.008 0.002 1.675e-03 1719.282 101325.000 8.430354e+05 -0.008 0.002 1.680e-03 1719.380 101325.000 8.430102e+05 -0.008 0.002 - 1.685e-03 1719.477 101325.000 8.429852e+05 -0.008 0.001 - 1.690e-03 1719.573 101325.000 8.429606e+05 -0.008 0.001 - 1.695e-03 1719.668 101325.000 8.429363e+05 -0.008 0.001 - 1.700e-03 1719.762 101325.000 8.429123e+05 -0.008 0.001 - 1.705e-03 1719.854 101325.000 8.428886e+05 -0.008 0.001 + 1.685e-03 1719.477 101325.000 8.429853e+05 -0.008 0.001 + 1.690e-03 1719.573 101325.000 8.429607e+05 -0.008 0.001 + 1.695e-03 1719.668 101325.000 8.429364e+05 -0.008 0.001 + 1.700e-03 1719.762 101325.000 8.429124e+05 -0.008 0.001 + 1.705e-03 1719.854 101325.000 8.428887e+05 -0.008 0.001 1.710e-03 1719.945 101325.000 8.428652e+05 -0.008 0.001 1.715e-03 1720.035 101325.000 8.428421e+05 -0.008 0.001 - 1.720e-03 1720.125 101325.002 8.428192e+05 -0.008 0.001 - 1.725e-03 1720.212 101325.005 8.427962e+05 -0.008 0.001 - 1.730e-03 1720.297 101325.000 8.427723e+05 -0.008 0.001 - 1.735e-03 1720.383 101325.000 8.427501e+05 -0.008 0.001 - 1.740e-03 1720.468 101325.000 8.427283e+05 -0.008 0.001 - 1.745e-03 1720.552 101325.000 8.427068e+05 -0.008 0.001 - 1.750e-03 1720.635 101325.000 8.426855e+05 -0.008 0.001 - 1.755e-03 1720.717 101325.000 8.426646e+05 -0.008 0.001 - 1.760e-03 1720.798 101325.000 8.426438e+05 -0.008 0.001 - 1.765e-03 1720.878 101325.000 8.426233e+05 -0.008 0.001 - 1.770e-03 1720.957 101325.000 8.426030e+05 -0.008 0.001 - 1.775e-03 1721.035 101325.000 8.425830e+05 -0.008 0.001 - 1.780e-03 1721.112 101325.000 8.425632e+05 -0.008 0.001 - 1.785e-03 1721.188 101325.000 8.425436e+05 -0.008 0.001 - 1.790e-03 1721.264 101325.000 8.425243e+05 -0.008 0.001 - 1.795e-03 1721.338 101325.000 8.425052e+05 -0.008 0.000 - 1.800e-03 1721.412 101325.000 8.424863e+05 -0.008 0.000 - 1.805e-03 1721.485 101325.000 8.424676e+05 -0.008 0.000 - 1.810e-03 1721.557 101325.000 8.424491e+05 -0.008 0.000 - 1.815e-03 1721.628 101325.000 8.424308e+05 -0.008 0.000 - 1.820e-03 1721.698 101325.000 8.424128e+05 -0.008 0.000 - 1.825e-03 1721.768 101325.000 8.423949e+05 -0.008 0.000 - 1.830e-03 1721.837 101325.000 8.423773e+05 -0.008 0.000 - 1.835e-03 1721.905 101325.000 8.423598e+05 -0.008 0.000 - 1.840e-03 1721.972 101325.000 8.423425e+05 -0.008 0.000 - 1.845e-03 1722.039 101325.000 8.423255e+05 -0.008 0.000 - 1.850e-03 1722.105 101325.000 8.423086e+05 -0.008 0.000 - 1.855e-03 1722.170 101325.000 8.422919e+05 -0.008 0.000 - 1.860e-03 1722.234 101325.000 8.422753e+05 -0.007 -0.000 - 1.865e-03 1722.298 101325.000 8.422590e+05 -0.007 -0.000 - 1.870e-03 1722.361 101325.000 8.422428e+05 -0.007 -0.000 - 1.875e-03 1722.423 101325.000 8.422269e+05 -0.007 -0.000 - 1.880e-03 1722.485 101325.000 8.422110e+05 -0.007 -0.000 - 1.885e-03 1722.546 101325.000 8.421954e+05 -0.007 -0.000 - 1.890e-03 1722.607 101325.000 8.421799e+05 -0.007 -0.000 - 1.895e-03 1722.666 101325.000 8.421646e+05 -0.007 -0.000 - 1.900e-03 1722.725 101325.000 8.421494e+05 -0.007 -0.000 - 1.905e-03 1722.784 101325.000 8.421344e+05 -0.007 -0.000 - 1.910e-03 1722.842 101325.000 8.421196e+05 -0.007 -0.000 - 1.915e-03 1722.899 101325.000 8.421049e+05 -0.007 -0.000 - 1.920e-03 1722.956 101325.000 8.420904e+05 -0.007 -0.000 - 1.925e-03 1723.012 101325.000 8.420760e+05 -0.007 -0.000 - 1.930e-03 1723.067 101325.000 8.420618e+05 -0.007 -0.001 - 1.935e-03 1723.122 101325.000 8.420477e+05 -0.007 -0.001 - 1.940e-03 1723.176 101325.000 8.420337e+05 -0.007 -0.001 - 1.945e-03 1723.230 101325.000 8.420199e+05 -0.007 -0.001 - 1.950e-03 1723.283 101325.000 8.420063e+05 -0.007 -0.001 - 1.955e-03 1723.336 101325.000 8.419928e+05 -0.007 -0.001 - 1.960e-03 1723.388 101325.000 8.419794e+05 -0.007 -0.001 - 1.965e-03 1723.440 101325.000 8.419662e+05 -0.007 -0.001 - 1.970e-03 1723.491 101325.000 8.419530e+05 -0.007 -0.001 - 1.975e-03 1723.542 101325.000 8.419401e+05 -0.007 -0.001 - 1.980e-03 1723.592 101325.000 8.419272e+05 -0.007 -0.001 - 1.985e-03 1723.641 101325.000 8.419145e+05 -0.007 -0.001 - 1.990e-03 1723.690 101325.000 8.419019e+05 -0.007 -0.001 - 1.995e-03 1723.739 101325.000 8.418894e+05 -0.007 -0.001 - 2.000e-03 1723.787 101325.000 8.418771e+05 -0.007 -0.001 + 1.720e-03 1720.125 101325.000 8.428193e+05 -0.008 0.001 + 1.725e-03 1720.213 101325.000 8.427967e+05 -0.008 0.001 + 1.730e-03 1720.300 101325.000 8.427744e+05 -0.008 0.001 + 1.735e-03 1720.385 101325.000 8.427524e+05 -0.008 0.001 + 1.740e-03 1720.470 101325.000 8.427306e+05 -0.008 0.001 + 1.745e-03 1720.554 101325.000 8.427091e+05 -0.008 0.001 + 1.750e-03 1720.637 101325.000 8.426879e+05 -0.008 0.001 + 1.755e-03 1720.719 101325.000 8.426669e+05 -0.008 0.001 + 1.760e-03 1720.800 101325.000 8.426461e+05 -0.008 0.001 + 1.765e-03 1720.880 101325.000 8.426256e+05 -0.008 0.001 + 1.770e-03 1720.959 101325.000 8.426053e+05 -0.008 0.001 + 1.775e-03 1721.037 101325.000 8.425853e+05 -0.008 0.001 + 1.780e-03 1721.114 101325.000 8.425655e+05 -0.008 0.001 + 1.785e-03 1721.191 101325.000 8.425460e+05 -0.008 0.001 + 1.790e-03 1721.266 101325.000 8.425266e+05 -0.008 0.001 + 1.795e-03 1721.341 101325.000 8.425075e+05 -0.008 0.000 + 1.800e-03 1721.414 101325.000 8.424886e+05 -0.008 0.000 + 1.805e-03 1721.487 101325.000 8.424699e+05 -0.008 0.000 + 1.810e-03 1721.559 101325.000 8.424514e+05 -0.008 0.000 + 1.815e-03 1721.630 101325.000 8.424332e+05 -0.008 0.000 + 1.820e-03 1721.701 101325.000 8.424151e+05 -0.008 0.000 + 1.825e-03 1721.770 101325.000 8.423972e+05 -0.008 0.000 + 1.830e-03 1721.839 101325.000 8.423796e+05 -0.008 0.000 + 1.835e-03 1721.907 101325.000 8.423621e+05 -0.008 0.000 + 1.840e-03 1721.975 101325.000 8.423449e+05 -0.008 0.000 + 1.845e-03 1722.041 101325.000 8.423278e+05 -0.008 0.000 + 1.850e-03 1722.107 101325.000 8.423109e+05 -0.008 0.000 + 1.855e-03 1722.172 101325.000 8.422942e+05 -0.008 0.000 + 1.860e-03 1722.237 101325.000 8.422777e+05 -0.007 -0.000 + 1.865e-03 1722.300 101325.000 8.422613e+05 -0.007 -0.000 + 1.870e-03 1722.363 101325.000 8.422452e+05 -0.007 -0.000 + 1.875e-03 1722.426 101325.000 8.422292e+05 -0.007 -0.000 + 1.880e-03 1722.487 101325.000 8.422133e+05 -0.007 -0.000 + 1.885e-03 1722.549 101325.000 8.421977e+05 -0.007 -0.000 + 1.890e-03 1722.609 101325.000 8.421822e+05 -0.007 -0.000 + 1.895e-03 1722.669 101325.000 8.421669e+05 -0.007 -0.000 + 1.900e-03 1722.728 101325.000 8.421517e+05 -0.007 -0.000 + 1.905e-03 1722.786 101325.000 8.421367e+05 -0.007 -0.000 + 1.910e-03 1722.844 101325.000 8.421219e+05 -0.007 -0.000 + 1.915e-03 1722.901 101325.000 8.421072e+05 -0.007 -0.000 + 1.920e-03 1722.958 101325.000 8.420927e+05 -0.007 -0.000 + 1.925e-03 1723.014 101325.000 8.420783e+05 -0.007 -0.000 + 1.930e-03 1723.069 101325.000 8.420641e+05 -0.007 -0.001 + 1.935e-03 1723.124 101325.000 8.420500e+05 -0.007 -0.001 + 1.940e-03 1723.179 101325.000 8.420361e+05 -0.007 -0.001 + 1.945e-03 1723.232 101325.000 8.420223e+05 -0.007 -0.001 + 1.950e-03 1723.286 101325.000 8.420086e+05 -0.007 -0.001 + 1.955e-03 1723.338 101325.000 8.419951e+05 -0.007 -0.001 + 1.960e-03 1723.391 101325.000 8.419817e+05 -0.007 -0.001 + 1.965e-03 1723.442 101325.000 8.419685e+05 -0.007 -0.001 + 1.970e-03 1723.493 101325.000 8.419554e+05 -0.007 -0.001 + 1.975e-03 1723.544 101325.000 8.419424e+05 -0.007 -0.001 + 1.980e-03 1723.594 101325.000 8.419295e+05 -0.007 -0.001 + 1.985e-03 1723.644 101325.000 8.419168e+05 -0.007 -0.001 + 1.990e-03 1723.693 101325.000 8.419042e+05 -0.007 -0.001 + 1.995e-03 1723.741 101325.000 8.418917e+05 -0.007 -0.001 + 2.000e-03 1723.789 101325.000 8.418794e+05 -0.007 -0.001 To view a plot of these results, run this script with the option -plot diff --git a/Cantera/python/examples/surface_chemistry/catcomb_stagflow/catcomb_blessed_0.csv b/Cantera/python/examples/surface_chemistry/catcomb_stagflow/catcomb_blessed_0.csv index 388b75ddc..ce7faeecb 100644 --- a/Cantera/python/examples/surface_chemistry/catcomb_stagflow/catcomb_blessed_0.csv +++ b/Cantera/python/examples/surface_chemistry/catcomb_stagflow/catcomb_blessed_0.csv @@ -1,52 +1,44 @@ z (m), u (m/s), V (1/s), T (K), rho (kg/m3, 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, AR, N2, -0.0, 0.053038725761858821, -5.4372369704654403e-23, 300.0, 1.1312488966910135, -1.9945217445133332e-15, 1.2094553919729598e-17, 5.6719881818570684e-19, 0.19178082191779233, -2.9194243827112552e-17, 5.3626151759432039e-14, -8.1549581186632036e-19, -3.6781075398696255e-18, 2.9250852163085021e-17, -6.6063015748939551e-33, -9.2816281576462901e-18, 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7.90103134383e-09, 3.28995034451e-18, 1.17755464737e-23, 1.08171355622e-14, 3.16971293024e-16, 6.04494236252e-07, 0.0238376670022, 1.82428556793e-09, 0.0782854880697, 1.03500538889e-13, 3.19806685266e-06, 2.44145639421e-16, 1.66657471316e-11, 2.47244759857e-08, 3.23235751733e-23, 1.12493334055e-11, 5.3584734802e-16, 7.50212292118e-08, 7.63956262866e-12, 7.56957506786e-06, 1.35401561e-20, 1.187835255e-16, 2.1001201237e-17, 0.00915663037847, 0.714130920518, +0.099921875, 6.08574014368e-07, 0.00778889607899, 897.562545772, 0.38209116972785945, 4.28950679793e-10, 2.85701167426e-11, 1.12559654637e-10, 0.0562347390369, 1.67860299189e-09, 0.118204469633, 2.16297364948e-08, 7.90023130596e-09, 4.94154789946e-15, 7.65302813049e-23, 5.65995715393e-14, 1.63678518281e-15, 6.5033999427e-07, 0.0235598026511, 1.30733914729e-09, 0.0786827676102, 2.06657322671e-13, 3.19939366809e-06, 7.19512199817e-16, 1.75630671446e-11, 2.47636339118e-08, 1.68313777797e-22, 1.12824036271e-11, 1.23247022404e-15, 7.51451837316e-08, 1.88265728248e-11, 7.57493895621e-06, 4.37907628584e-20, 1.19173610707e-16, 2.1077880507e-17, 0.00915688751816, 0.714149775835, +0.0999609375, 1.52360141586e-07, 0.00390041962461, 898.782007949, 0.38158958076660404, 3.49233688445e-10, 2.04844366987e-11, 2.26133411484e-10, 0.0559279094291, 6.9028162053e-09, 0.118442014586, 2.16655930871e-08, 7.90011476042e-09, 1.83148440943e-12, 5.62150066838e-22, 2.24617195805e-13, 6.83651936475e-15, 6.68834824094e-07, 0.0234209608161, 1.01287796486e-09, 0.078881301018, 5.66052650682e-13, 3.19967343871e-06, 2.51078637583e-15, 1.78566699181e-11, 2.47773483986e-08, 7.12291031685e-22, 1.12970712106e-11, 3.45753946885e-15, 7.51785029264e-08, 3.18220463211e-11, 7.5761071765e-06, 8.37281257458e-20, 1.19315752453e-16, 2.11062409386e-17, 0.00915701646412, 0.714159214975, +0.1, 0.0, 0.0, 900.0, 0.38108997781961995, 2.67269684013e-10, 2.7437385547e-12, 3.10216063538e-11, 0.055621374715, 2.63825926692e-08, 0.118679267939, 2.1665889813e-08, 7.90022375877e-09, 4.50475033969e-10, -3.08373172133e-21, 2.24619908197e-13, 6.83660166023e-15, 6.68843089654e-07, 0.0232822567464, 2.42931690006e-14, 0.079079696067, 5.66061919632e-13, 3.19972640513e-06, 2.5108287717e-15, 1.78569727144e-11, 2.47777683392e-08, 7.12268979318e-22, 1.12972356636e-11, 3.45759728869e-15, 7.51797757792e-08, 3.18226348811e-11, 7.57624851994e-06, 8.37297683645e-20, 1.19315501796e-16, 2.11068293465e-17, 0.00915714613983, 0.714168656855, +PT(S), 0.125391596805, +H(S), 2.6811761763e-07, +H2O(S), 3.13445222965e-05, +OH(S), 0.00758220560432, +CO(S), 3.84709869466e-05, +CO2(S), 4.16444467006e-10, +CH3(S), 3.10235406008e-09, +CH2(S)s, 3.10235406008e-09, +CH(S), 3.10235406008e-09, +C(S), 1.36759303088e-07, +O(S), 0.866955967481, diff --git a/Cantera/python/examples/surface_chemistry/catcomb_stagflow/output_blessed_0.txt b/Cantera/python/examples/surface_chemistry/catcomb_stagflow/output_blessed_0.txt index 7314beef5..e34efe4a3 100644 --- a/Cantera/python/examples/surface_chemistry/catcomb_stagflow/output_blessed_0.txt +++ b/Cantera/python/examples/surface_chemistry/catcomb_stagflow/output_blessed_0.txt @@ -105,12 +105,12 @@ H(S) 2.325e-06 H2O(S) 2.754e-05 OH(S) 0.01437 - CO(S) -1.426e-49 - CO2(S) 1.147e-55 - CH3(S) -3.183e-58 - CH2(S)s -1.999e-58 - CH(S) -3.059e-58 - C(S) -2.748e-52 + CO(S) -2.155e-41 + CO2(S) 1.732e-47 + CH3(S) 3.43e-95 + CH2(S)s 9.212e-94 + CH(S) 2.876e-94 + C(S) -7.83e-51 O(S) 0.4977 .............................................................................. @@ -163,43 +163,13 @@ Attempt Newton solution of steady-state problem... success. Problem solved on [8] point grid(s). -############################################################################## -Refining grid in flow. - New points inserted after grid points 6 - to resolve OH -.............................................................................. - -Attempt Newton solution of steady-state problem... success. - -Problem solved on [9] point grid(s). - -############################################################################## -Refining grid in flow. - New points inserted after grid points 7 - to resolve OH -.............................................................................. - -Attempt Newton solution of steady-state problem... success. - -Problem solved on [10] point grid(s). - no new points needed in flow Multiplier = 0.01 .............................................................................. Attempt Newton solution of steady-state problem... success. -Problem solved on [10] point grid(s). - -############################################################################## -Refining grid in flow. - New points inserted after grid points 8 - to resolve OH -.............................................................................. - -Attempt Newton solution of steady-state problem... success. - -Problem solved on [11] point grid(s). +Problem solved on [8] point grid(s). no new points needed in flow Multiplier = 0.1 @@ -207,17 +177,7 @@ Multiplier = 0.1 Attempt Newton solution of steady-state problem... success. -Problem solved on [11] point grid(s). - -############################################################################## -Refining grid in flow. - New points inserted after grid points 9 - to resolve OH -.............................................................................. - -Attempt Newton solution of steady-state problem... success. - -Problem solved on [12] point grid(s). +Problem solved on [8] point grid(s). no new points needed in flow Multiplier = 1.0 @@ -225,7 +185,7 @@ Multiplier = 1.0 Attempt Newton solution of steady-state problem... success. -Problem solved on [12] point grid(s). +Problem solved on [8] point grid(s). no new points needed in flow @@ -249,114 +209,86 @@ no new points needed in flow ------------------------------------------------------------------------------- z u V T lambda H2 ------------------------------------------------------------------------------- - 0 0.05335 3.452e-21 300 -0.4151 0.003467 - 0.02 0.05058 0.1384 300 -0.4151 0.003466 - 0.04 0.04229 0.2768 300.1 -0.4151 0.003451 - 0.06 0.02881 0.4167 303.9 -0.4151 0.003274 - 0.08 0.01396 0.5863 384.2 -0.4151 0.002136 - 0.09 0.006538 0.6222 605 -0.4151 0.001115 - 0.095 0.002168 0.4262 757.2 -0.4151 0.0005624 - 0.0975 0.0006079 0.2414 830.5 -0.4151 0.0002873 - 0.09875 0.0001599 0.1275 865.7 -0.4151 0.0001514 - 0.09938 4.096e-05 0.06544 883 -0.4151 8.389e-05 - 0.09969 1.036e-05 0.03314 891.5 -0.4151 5.027e-05 - 0.1 0 0 900 -0.4151 1.685e-05 + 0 0.05335 -2.486e-22 300 -0.4153 0.003467 + 0.02 0.05058 0.1384 300 -0.4153 0.003466 + 0.04 0.04228 0.2769 300.1 -0.4153 0.003451 + 0.06 0.0288 0.4168 303.9 -0.4153 0.003273 + 0.08 0.01393 0.5862 383.9 -0.4153 0.002125 + 0.09 0.006484 0.6212 604 -0.4153 0.001094 + 0.095 0.002117 0.4235 755.4 -0.4153 0.0005369 + 0.1 0 0 900 -0.4153 1.703e-05 ------------------------------------------------------------------------------- z H O O2 OH H2O ------------------------------------------------------------------------------- - 0 -3.76e-21 -7.809e-21 0.2312 -9.848e-25 7.255e-09 - 0.02 -2.437e-27 -4.819e-21 0.2312 -7.032e-24 3.36e-07 - 0.04 3.448e-28 1.853e-21 0.2311 3.057e-24 1.478e-05 - 0.06 5.551e-26 3.835e-19 0.2308 2.273e-22 0.0005406 - 0.08 1.124e-22 2.091e-17 0.2222 6.409e-20 0.01075 - 0.09 2.902e-17 1.443e-15 0.2017 6.916e-16 0.03155 - 0.095 1.902e-14 7.508e-13 0.1867 2.052e-12 0.04542 - 0.0975 3.863e-13 3.319e-11 0.1788 5.707e-11 0.05244 - 0.09875 1.517e-12 2.397e-10 0.175 3.494e-10 0.05589 - 0.09938 3.587e-12 6.906e-10 0.1731 1.424e-09 0.0576 - 0.09969 7.287e-12 8.814e-10 0.1721 4.998e-09 0.05845 - 0.1 1.976e-13 2.444e-11 0.1712 1.889e-08 0.05929 + 0 -4.851e-22 9.858e-21 0.2312 -1.455e-24 7.281e-09 + 0.02 -1.367e-28 3.289e-22 0.2312 4.812e-25 3.372e-07 + 0.04 7.19e-28 4.034e-21 0.2311 5.365e-24 1.483e-05 + 0.06 6.572e-26 5.247e-19 0.2308 1.725e-22 0.0005425 + 0.08 6.217e-23 1.877e-17 0.2222 4.752e-20 0.01079 + 0.09 8.526e-18 1.228e-15 0.2016 2.278e-16 0.03169 + 0.095 1.917e-14 6.659e-13 0.1866 2.617e-12 0.04559 + 0.1 3.472e-17 1.244e-15 0.1717 1.92e-08 0.05885 ------------------------------------------------------------------------------- z HO2 H2O2 C CH CH2 ------------------------------------------------------------------------------- - 0 1.062e-14 1.242e-13 2.11e-21 -1.588e-20 6.143e-23 - 0.02 5.391e-13 6.344e-12 3.066e-29 -7.217e-29 8.208e-30 - 0.04 2.595e-11 3.079e-10 4.135e-37 -2.639e-37 2.043e-36 - 0.06 1.04e-09 1.243e-08 2.502e-45 1.344e-45 7.21e-38 - 0.08 2.442e-08 2.786e-07 -5.247e-47 -1.64e-44 2.391e-36 - 0.09 1.493e-07 8.902e-07 -1.866e-47 2.441e-45 7.668e-34 - 0.095 4.028e-07 1.264e-06 3.215e-49 5.923e-43 9.263e-32 - 0.0975 7.082e-07 1.364e-06 4.609e-43 8.267e-41 1.651e-30 - 0.09875 9.256e-07 1.37e-06 4.7e-37 -1.715e-36 6.901e-30 - 0.09938 1.029e-06 1.366e-06 1.092e-31 -6.732e-31 1.034e-29 - 0.09969 1.064e-06 1.364e-06 5.905e-27 -6.144e-26 1.137e-25 - 0.1 1.064e-06 1.364e-06 2.015e-22 -3.613e-21 1.034e-21 + 0 5.854e-15 5.646e-15 -4.461e-21 -2.125e-21 -1.344e-23 + 0.02 2.971e-13 2.885e-13 -6.49e-29 -9.646e-30 -5.376e-30 + 0.04 1.303e-11 1.467e-11 -7.922e-37 7.971e-38 -1.353e-36 + 0.06 4.688e-10 6.2e-10 -6.739e-45 8.039e-46 6.664e-39 + 0.08 9.592e-09 1.439e-08 -1.811e-41 -5.115e-45 2.386e-35 + 0.09 4.42e-08 4.136e-08 2.326e-35 -5.738e-36 7.142e-33 + 0.095 8.464e-08 5.375e-08 9.036e-28 -4.385e-28 -9.274e-28 + 0.1 8.487e-08 5.39e-08 1.404e-20 -1.519e-20 -7.853e-28 ------------------------------------------------------------------------------- z CH2(S) CH3 CH4 CO CO2 ------------------------------------------------------------------------------- - 0 7e-39 5.014e-22 -2.102e-22 -2.33e-21 5.559e-25 - 0.02 3.345e-37 -3.042e-20 -7.372e-22 -1.192e-19 3.69e-23 - 0.04 7.556e-40 -6.63e-20 -2.053e-21 -1.192e-19 -7.566e-23 - 0.06 3.582e-39 -5.231e-20 -4.215e-21 -1.185e-19 -5.954e-21 - 0.08 -1.795e-39 -1.336e-21 -1.052e-21 -1.034e-19 -1.746e-19 - 0.09 1.127e-35 -1.192e-23 1.341e-20 -6.558e-20 -6.879e-19 - 0.095 1.551e-35 -3.403e-24 2.423e-20 -3.757e-20 -1.108e-18 - 0.0975 -1.511e-32 -3.626e-23 2.989e-20 -2.314e-20 -1.331e-18 - 0.09875 -2.883e-31 -9.595e-23 3.261e-20 -1.563e-20 -1.442e-18 - 0.09938 7.124e-31 -2.192e-23 3.361e-20 -1.157e-20 -1.497e-18 - 0.09969 1.524e-28 1.442e-22 3.388e-20 -9.552e-21 -1.524e-18 - 0.1 1.517e-28 4.277e-22 3.401e-20 -2.141e-29 -1.554e-18 + 0 -7.866e-40 -1.265e-22 3.502e-24 -7.151e-22 -3.884e-25 + 0.02 -2.217e-37 9.045e-21 1.646e-22 -3.602e-20 -2.578e-23 + 0.04 -2.323e-40 2.792e-20 7.396e-22 -3.602e-20 -5.169e-23 + 0.06 -5.968e-40 3.213e-20 1.596e-21 -3.623e-20 -1.402e-21 + 0.08 -5.219e-38 4.148e-21 -9.869e-21 -4.075e-20 -3.957e-20 + 0.09 -1.005e-37 8.104e-23 -5.11e-20 -5.21e-20 -1.536e-19 + 0.095 -5.316e-31 -9.281e-24 -8.322e-20 -6.074e-20 -2.462e-19 + 0.1 -4.837e-31 -9.077e-24 -1.145e-19 -2.092e-29 -3.356e-19 ------------------------------------------------------------------------------- z HCO CH2O CH2OH CH3O CH3OH ------------------------------------------------------------------------------- - 0 -5.574e-29 1.761e-24 2.191e-42 2.989e-28 -9.39e-23 - 0.02 -3.704e-27 1.18e-22 -1.901e-42 2.018e-26 -9.214e-23 - 0.04 -1.623e-34 2.009e-21 -1.101e-41 6.971e-25 -5.917e-23 - 0.06 5.179e-37 -4.166e-20 2.754e-40 -7.006e-24 -1.067e-21 - 0.08 -4.319e-31 -1.424e-19 5.658e-37 -6.389e-24 -6.945e-21 - 0.09 6.803e-30 -1.675e-19 9.657e-32 -6.151e-26 -4.537e-21 - 0.095 9.522e-29 -1.864e-19 4.442e-30 -3.299e-28 -2.367e-21 - 0.0975 -8.43e-28 -1.961e-19 1.108e-29 -4.956e-26 -1.23e-21 - 0.09875 -3.665e-27 -2.011e-19 -2.734e-29 -3.203e-25 -6.792e-22 - 0.09938 2.148e-29 -2.033e-19 -4.047e-29 -4.367e-25 -4.616e-22 - 0.09969 -7.589e-25 -2.042e-19 -2.925e-29 -1.192e-25 -4.076e-22 - 0.1 -7.642e-25 -2.041e-19 -1.982e-29 -7.86e-25 -4.124e-22 + 0 -1.051e-29 1.529e-25 3.226e-42 1.026e-29 5.35e-27 + 0.02 -6.983e-28 1.019e-23 -3.713e-44 6.927e-28 3.655e-25 + 0.04 -2.968e-35 9.525e-22 -1.561e-43 1.039e-25 2.09e-23 + 0.06 2.281e-36 2.918e-20 -9.526e-41 4.281e-24 7.084e-22 + 0.08 3.382e-33 1.331e-19 2.981e-37 5.227e-24 6.263e-21 + 0.09 4.349e-30 2.124e-19 4.785e-32 6.651e-26 6.559e-21 + 0.095 -1.351e-26 2.732e-19 -5.022e-27 -4.417e-28 6.536e-21 + 0.1 -1.014e-26 3.599e-19 -2.678e-20 -1.037e-27 6.558e-21 ------------------------------------------------------------------------------- z C2H C2H2 C2H3 C2H4 C2H5 ------------------------------------------------------------------------------- - 0 -4.008e-20 1.208e-22 8.884e-24 -1.111e-27 8.853e-34 - 0.02 -3.569e-28 2.586e-23 9.999e-31 2.971e-27 6.211e-32 - 0.04 -2.696e-36 2.58e-23 1.137e-37 2.401e-25 6.393e-32 - 0.06 -1.101e-40 2.26e-23 9.234e-39 1.236e-23 1.561e-32 - 0.08 -5.454e-31 -7.5e-23 4.04e-30 3.478e-22 -1.384e-33 - 0.09 4.673e-38 -3.974e-22 1.369e-32 1.327e-21 -9.078e-32 - 0.095 -7.381e-35 -6.654e-22 3.846e-31 2.113e-21 9.275e-29 - 0.0975 -7.038e-33 -8.082e-22 6.286e-31 2.526e-21 2.969e-27 - 0.09875 -4.01e-32 -8.767e-22 5.158e-30 2.72e-21 1.663e-26 - 0.09938 1.301e-30 -9.067e-22 3.499e-29 2.8e-21 5.137e-26 - 0.09969 5.638e-26 -9.22e-22 9.089e-29 2.827e-21 1.708e-25 - 0.1 1.704e-21 -1.127e-21 9.052e-29 2.828e-21 1.708e-25 + 0 -9.17e-21 -1.308e-23 -1.935e-27 -2.51e-27 -2.701e-34 + 0.02 -8.165e-29 -3.481e-23 -4.23e-34 -1.635e-25 -1.895e-32 + 0.04 -4.405e-37 -3.49e-23 -8.494e-40 -1.013e-23 -3.453e-32 + 0.06 -3.812e-45 -3.925e-23 1.266e-40 -5.264e-22 -2.758e-32 + 0.08 -1.839e-43 -1.993e-22 2.066e-36 -1.637e-20 -2.121e-31 + 0.09 -1.273e-34 -8.15e-22 4.589e-32 -6.849e-20 9.695e-30 + 0.095 -4.245e-27 -1.345e-21 2.207e-28 -1.117e-19 -1.672e-24 + 0.1 -3.676e-20 -8.488e-22 2.215e-28 -1.129e-19 -4.688e-20 ------------------------------------------------------------------------------- z C2H6 HCCO CH2CO HCCOH AR ------------------------------------------------------------------------------- - 0 4.642e-22 2.759e-43 2.138e-22 2.642e-24 0.01374 - 0.02 3.08e-20 -1.894e-41 2.138e-22 2.643e-24 0.01374 - 0.04 6.74e-20 -9.236e-41 2.137e-22 2.673e-24 0.01374 - 0.06 7.845e-20 -1.678e-37 2.066e-22 4.537e-24 0.01374 - 0.08 7.809e-20 -1.316e-29 -2.506e-23 6.672e-23 0.01373 - 0.09 7.708e-20 1.032e-32 -2.65e-23 6.816e-23 0.01375 - 0.095 7.634e-20 1.42e-30 -2.779e-23 6.952e-23 0.01378 - 0.0975 7.598e-20 7.58e-29 -2.85e-23 7.027e-23 0.0138 - 0.09875 7.581e-20 1.343e-28 -2.886e-23 7.066e-23 0.01381 - 0.09938 7.575e-20 -1.164e-28 -2.905e-23 7.085e-23 0.01381 - 0.09969 7.573e-20 -7.588e-28 -2.912e-23 7.09e-23 0.01382 - 0.1 7.574e-20 -7.792e-28 -2.916e-23 7.091e-23 0.01382 + 0 -1.346e-22 2.308e-41 3.487e-30 3.499e-34 0.01374 + 0.02 -9.522e-21 -1.346e-42 4.376e-30 2.717e-32 0.01374 + 0.04 -2.955e-20 3.434e-41 2.89e-29 2.003e-30 0.01374 + 0.06 -4.977e-20 1.435e-37 1.169e-27 1.225e-28 0.01374 + 0.08 -6.984e-20 2.469e-34 3.927e-26 4.101e-27 0.01373 + 0.09 -6.985e-20 1.004e-31 1.876e-25 1.759e-26 0.01375 + 0.095 -6.982e-20 1.874e-29 3.143e-25 2.91e-26 0.01378 + 0.1 -7.001e-20 1.902e-29 3.005e-25 2.926e-26 0.01382 ------------------------------------------------------------------------------- z N2 @@ -367,82 +299,46 @@ no new points needed in flow 0.06 0.7517 0.08 0.7512 0.09 0.7519 - 0.095 0.7536 - 0.0975 0.7546 - 0.09875 0.7552 - 0.09938 0.7554 - 0.09969 0.7556 - 0.1 0.7557 + 0.095 0.7535 + 0.1 0.7556 >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> surface <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<< Temperature: 900 K Coverages: - PT(S) 0.08847 - H(S) 1.366e-07 - H2O(S) 1.705e-05 - OH(S) 0.005717 - CO(S) -3.982e-22 - CO2(S) -5.012e-27 - CH3(S) 9.995e-28 - CH2(S)s 9.995e-28 - CH(S) 9.995e-28 - C(S) -5.262e-26 - O(S) 0.9058 + PT(S) 0.08838 + H(S) 1.359e-07 + H2O(S) 1.691e-05 + OH(S) 0.005694 + CO(S) -1.057e-22 + CO2(S) -1.317e-27 + CH3(S) 1.476e-26 + CH2(S)s 1.476e-26 + CH(S) 1.476e-26 + C(S) 4.108e-25 + O(S) 0.9059 .............................................................................. -Attempt Newton solution of steady-state problem... failure. - -.............................................................................. -Take 1 timesteps 1.5e-05 -0.1099 -.............................................................................. - -Attempt Newton solution of steady-state problem... failure. - -.............................................................................. -Take 2 timesteps 3.375e-05 -0.8978 -.............................................................................. - -Attempt Newton solution of steady-state problem... failure. - -.............................................................................. -Take 5 timesteps 0.0001281 -0.8981 -.............................................................................. - -Attempt Newton solution of steady-state problem... failure. - -.............................................................................. -Take 10 timesteps 0.003695 -0.9064 -.............................................................................. - -Attempt Newton solution of steady-state problem... failure. - -.............................................................................. -Take 10 timesteps 0.1065 -1.056 -.............................................................................. - -Attempt Newton solution of steady-state problem... failure. - -.............................................................................. -Take 10 timesteps 0.7679 -0.2309 -.............................................................................. - -Attempt Newton solution of steady-state problem... failure. - -.............................................................................. -Take 10 timesteps 1.845 2.304 -.............................................................................. - Attempt Newton solution of steady-state problem... success. -Problem solved on [12] point grid(s). +Problem solved on [8] point grid(s). ############################################################################## Refining grid in flow. - New points inserted after grid points 0 1 2 3 4 5 6 7 8 9 10 - to resolve C2H4 C2H6 CH2O CH3 CH3OH CH4 CO CO2 H2 H2O H2O2 HO2 O2 OH T V u + New points inserted after grid points 0 1 2 3 4 5 6 + to resolve C C2H6 CH2O CH3 CH4 CO CO2 H2O O2 OH T V u +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [15] point grid(s). + +############################################################################## +Refining grid in flow. + New points inserted after grid points 6 7 8 9 10 11 12 13 + to resolve C2H6 CH2O CH3 CH4 CO CO2 H2O O2 OH T V u .............................................................................. Attempt Newton solution of steady-state problem... success. @@ -451,8 +347,48 @@ Problem solved on [23] point grid(s). ############################################################################## Refining grid in flow. - New points inserted after grid points 6 7 8 9 10 11 13 21 - to resolve C2H4 C2H6 CH2O CH3OH CH4 CO CO2 H2 H2O H2O2 HO2 O2 OH T V u + New points inserted after grid points 19 20 21 + to resolve CH3 CO OH V +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [26] point grid(s). + +############################################################################## +Refining grid in flow. + New points inserted after grid points 24 + to resolve OH +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [27] point grid(s). + +############################################################################## +Refining grid in flow. + New points inserted after grid points 25 + to resolve OH +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [28] point grid(s). + +############################################################################## +Refining grid in flow. + New points inserted after grid points 23 26 + to resolve CH3 OH +.............................................................................. + +Attempt Newton solution of steady-state problem... success. + +Problem solved on [30] point grid(s). + +############################################################################## +Refining grid in flow. + New points inserted after grid points 28 + to resolve OH .............................................................................. Attempt Newton solution of steady-state problem... success. @@ -461,54 +397,14 @@ Problem solved on [31] point grid(s). ############################################################################## Refining grid in flow. - New points inserted after grid points 29 - to resolve OH + New points inserted after grid points 25 + to resolve CH3 .............................................................................. Attempt Newton solution of steady-state problem... success. Problem solved on [32] point grid(s). -############################################################################## -Refining grid in flow. - New points inserted after grid points 29 30 - to resolve OH -.............................................................................. - -Attempt Newton solution of steady-state problem... success. - -Problem solved on [34] point grid(s). - -############################################################################## -Refining grid in flow. - New points inserted after grid points 13 31 32 - to resolve CO OH -.............................................................................. - -Attempt Newton solution of steady-state problem... success. - -Problem solved on [37] point grid(s). - -############################################################################## -Refining grid in flow. - New points inserted after grid points 34 35 - to resolve OH -.............................................................................. - -Attempt Newton solution of steady-state problem... success. - -Problem solved on [39] point grid(s). - -############################################################################## -Refining grid in flow. - New points inserted after grid points 37 - to resolve OH -.............................................................................. - -Attempt Newton solution of steady-state problem... success. - -Problem solved on [40] point grid(s). - no new points needed in flow @@ -531,310 +427,254 @@ no new points needed in flow ------------------------------------------------------------------------------- z u V T lambda H2 ------------------------------------------------------------------------------- - 0 0.05304 -5.437e-23 300 -0.389 -1.444e-16 - 0.01 0.05239 0.06484 300 -0.389 -5.488e-17 - 0.02 0.05045 0.1297 300 -0.389 6.351e-16 - 0.03 0.0472 0.1945 300 -0.389 5.782e-15 - 0.04 0.04266 0.2594 300 -0.389 4.204e-14 - 0.05 0.03683 0.3242 300 -0.389 2.764e-13 - 0.06 0.0297 0.389 300 -0.389 1.616e-12 - 0.065 0.02566 0.4215 300.1 -0.389 4.196e-12 - 0.07 0.02133 0.4542 300.8 -0.389 1.1e-11 - 0.075 0.01687 0.4884 304.7 -0.389 2.687e-11 - 0.08 0.01264 0.528 322.6 -0.389 5.792e-11 - 0.0825 0.01082 0.5514 347.3 -0.389 8.044e-11 - 0.085 0.009225 0.5751 392.3 -0.389 1.064e-10 - 0.0875 0.007653 0.5891 459.8 -0.389 1.336e-10 - 0.08875 0.006792 0.5862 500.5 -0.389 1.477e-10 - 0.09 0.005872 0.5736 544.6 -0.389 1.616e-10 - 0.09125 0.004899 0.5494 590.7 -0.389 1.751e-10 - 0.0925 0.003902 0.5123 637.7 -0.389 1.881e-10 - 0.09375 0.00292 0.4615 684.6 -0.389 2.007e-10 - 0.095 0.002002 0.3966 730.6 -0.389 2.125e-10 - 0.09625 0.001199 0.3176 775.4 -0.389 2.218e-10 - 0.09688 0.0008577 0.2729 797.1 -0.389 2.233e-10 - 0.0975 0.0005646 0.2248 818.5 -0.389 2.207e-10 - 0.09813 0.0003262 0.1734 839.5 -0.389 2.104e-10 - 0.09875 0.0001488 0.1188 860.1 -0.389 1.853e-10 - 0.09906 8.474e-05 0.09025 870.2 -0.389 1.619e-10 - 0.09938 3.813e-05 0.06094 880.2 -0.389 1.28e-10 - 0.09953 2.158e-05 0.04599 885.2 -0.389 1.053e-10 - 0.09969 9.647e-06 0.03085 890.2 -0.389 7.788e-11 - 0.09984 2.427e-06 0.01552 895.1 -0.389 4.473e-11 - 0.09992 6.081e-07 0.007785 897.5 -0.389 2.562e-11 - 0.09994 3.424e-07 0.005843 898.2 -0.389 2.061e-11 - 0.09996 1.523e-07 0.003899 898.8 -0.389 1.552e-11 - 0.09997 8.57e-08 0.002925 899.1 -0.389 1.295e-11 - 0.09998 3.81e-08 0.001951 899.4 -0.389 1.036e-11 - 0.09999 2.144e-08 0.001463 899.5 -0.389 9.059e-12 - 0.09999 9.529e-09 0.0009758 899.7 -0.389 7.757e-12 - 0.1 2.383e-09 0.000488 899.8 -0.389 6.453e-12 - 0.1 5.957e-10 0.000244 899.9 -0.389 5.801e-12 - 0.1 0 0 900 -0.389 5.147e-12 + 0 0.05304 2.982e-23 300 -0.3895 2.625e-18 + 0.01 0.05239 0.06491 300 -0.3895 6.28e-17 + 0.02 0.05044 0.1298 300 -0.3895 5.267e-16 + 0.03 0.0472 0.1947 300 -0.3895 3.987e-15 + 0.04 0.04265 0.2596 300 -0.3895 2.836e-14 + 0.05 0.03681 0.3246 300 -0.3895 1.859e-13 + 0.06 0.02967 0.3895 300 -0.3895 1.086e-12 + 0.065 0.02563 0.422 300.1 -0.3895 2.818e-12 + 0.07 0.0213 0.4547 300.8 -0.3895 7.381e-12 + 0.075 0.01684 0.4889 304.9 -0.3895 1.802e-11 + 0.08 0.01262 0.5286 323.1 -0.3895 3.878e-11 + 0.0825 0.0108 0.5519 348.2 -0.3895 5.379e-11 + 0.085 0.009214 0.575 393.7 -0.3895 7.105e-11 + 0.0875 0.00765 0.5876 461.9 -0.3895 8.912e-11 + 0.09 0.005881 0.5729 547.1 -0.3895 1.069e-10 + 0.09125 0.004906 0.5489 592.9 -0.3895 1.159e-10 + 0.0925 0.003906 0.512 639.5 -0.3895 1.245e-10 + 0.09375 0.002923 0.4613 686 -0.3895 1.329e-10 + 0.095 0.002003 0.3965 731.7 -0.3895 1.407e-10 + 0.09625 0.0012 0.3176 776.1 -0.3895 1.468e-10 + 0.09688 0.0008581 0.2729 797.8 -0.3895 1.478e-10 + 0.0975 0.0005648 0.2249 819 -0.3895 1.462e-10 + 0.09813 0.0003264 0.1735 839.9 -0.3895 1.397e-10 + 0.09875 0.0001489 0.1188 860.3 -0.3895 1.242e-10 + 0.09906 8.478e-05 0.09028 870.4 -0.3895 1.1e-10 + 0.09938 3.815e-05 0.06096 880.3 -0.3895 8.976e-11 + 0.09953 2.159e-05 0.04601 885.3 -0.3895 7.642e-11 + 0.09969 9.651e-06 0.03087 890.2 -0.3895 6.052e-11 + 0.09984 2.427e-06 0.01553 895.1 -0.3895 4.154e-11 + 0.09992 6.086e-07 0.007789 897.6 -0.3895 3.073e-11 + 0.09996 1.524e-07 0.0039 898.8 -0.3895 2.502e-11 + 0.1 0 0 900 -0.3895 1.914e-11 ------------------------------------------------------------------------------- z H O O2 OH H2O ------------------------------------------------------------------------------- - 0 4.378e-19 3.259e-19 0.2204 -1.783e-17 3.469e-14 - 0.01 7.793e-26 5.633e-18 0.2204 -2.897e-21 8.45e-13 - 0.02 -1.472e-31 1.922e-18 0.2204 1.199e-21 2.035e-11 - 0.03 1.143e-33 6.291e-19 0.2204 3.929e-22 4.732e-10 - 0.04 5.621e-33 1.929e-19 0.2204 1.205e-22 1.034e-08 - 0.05 2.771e-32 5.369e-20 0.2204 5.696e-23 2.056e-07 - 0.06 1.53e-31 1.311e-20 0.2204 7.672e-21 3.567e-06 - 0.065 4.567e-30 7.338e-21 0.2203 3.063e-19 2.173e-05 - 0.07 1.112e-27 3.618e-20 0.2202 1.399e-17 0.0001421 - 0.075 2.173e-25 4.379e-19 0.2194 4.616e-16 0.0008161 - 0.08 2.057e-23 4.671e-18 0.2153 7.703e-15 0.003744 - 0.0825 1.851e-22 1.181e-17 0.2094 2.454e-14 0.007561 - 0.085 1.748e-21 1.588e-17 0.1985 5.671e-14 0.01395 - 0.0875 1.42e-19 1.335e-17 0.1822 1.026e-13 0.02271 - 0.08875 1.945e-18 1.895e-17 0.1719 1.415e-13 0.02789 - 0.09 2.151e-17 6.883e-17 0.1606 1.972e-13 0.03337 - 0.09125 1.806e-16 4.343e-16 0.1486 2.873e-13 0.03898 - 0.0925 1.135e-15 2.712e-15 0.1362 4.572e-13 0.04461 - 0.09375 5.383e-15 1.437e-14 0.1236 8.342e-13 0.05018 - 0.095 2.004e-14 6.317e-14 0.1112 1.794e-12 0.05563 - 0.09625 6.326e-14 2.396e-13 0.09893 4.512e-12 0.06091 - 0.09688 1.117e-13 4.633e-13 0.09285 7.725e-12 0.06352 - 0.0975 1.96e-13 8.873e-13 0.08686 1.365e-11 0.06608 - 0.09813 3.485e-13 1.714e-12 0.08096 2.51e-11 0.06859 - 0.09875 6.419e-13 3.406e-12 0.07516 4.865e-11 0.07105 - 0.09906 9.038e-13 4.967e-12 0.07228 7.051e-11 0.07227 - 0.09938 1.297e-12 7.366e-12 0.06943 1.044e-10 0.07348 - 0.09953 1.574e-12 9.07e-12 0.068 1.289e-10 0.07409 - 0.09969 1.906e-12 1.111e-11 0.06659 1.613e-10 0.07469 - 0.09984 2.19e-12 1.271e-11 0.06517 2.387e-10 0.07528 - 0.09992 1.955e-12 1.11e-11 0.06443 7.818e-10 0.07554 - 0.09994 1.737e-12 9.794e-12 0.06427 1.684e-09 0.07563 - 0.09996 1.422e-12 7.962e-12 0.06411 3.383e-09 0.07572 - 0.09997 1.21e-12 6.756e-12 0.06402 4.877e-09 0.07576 - 0.09998 9.527e-13 5.31e-12 0.06394 7.005e-09 0.0758 - 0.09999 8.034e-13 4.477e-12 0.06389 8.415e-09 0.07582 - 0.09999 6.386e-13 3.561e-12 0.06385 1.01e-08 0.07584 - 0.1 4.566e-13 2.553e-12 0.06381 1.213e-08 0.07586 - 0.1 3.585e-13 2.012e-12 0.06379 1.329e-08 0.07587 - 0.1 2.555e-13 1.445e-12 0.06377 1.457e-08 0.07588 + 0 -1.54e-20 1.538e-20 0.2204 1.487e-19 3.596e-14 + 0.01 1.303e-27 2.656e-19 0.2204 2.453e-22 8.759e-13 + 0.02 9.271e-33 9.047e-20 0.2204 5.651e-23 2.109e-11 + 0.03 -3.884e-32 2.955e-20 0.2204 1.845e-23 4.905e-10 + 0.04 -7.897e-31 9.043e-21 0.2204 7.303e-24 1.072e-08 + 0.05 -1.586e-29 2.507e-21 0.2204 5.429e-22 2.13e-07 + 0.06 -2.216e-28 4.419e-22 0.2204 1.151e-19 3.694e-06 + 0.065 -5.905e-28 -2.715e-21 0.2203 2.328e-18 2.248e-05 + 0.07 1.584e-26 -1.645e-20 0.2202 5.002e-17 0.0001469 + 0.075 8.238e-25 2.662e-19 0.2193 7.891e-16 0.0008424 + 0.08 2.541e-23 5.223e-18 0.2151 7.458e-15 0.003854 + 0.0825 1.669e-22 1.137e-17 0.209 2.019e-14 0.007763 + 0.085 1.433e-21 1.314e-17 0.1978 4.363e-14 0.01428 + 0.0875 1.224e-19 1.088e-17 0.1811 7.778e-14 0.02317 + 0.09 1.638e-17 6.28e-17 0.1599 1.354e-13 0.03352 + 0.09125 1.336e-16 4.022e-16 0.148 2.011e-13 0.03912 + 0.0925 8.136e-16 2.384e-15 0.1356 3.288e-13 0.04474 + 0.09375 3.742e-15 1.198e-14 0.123 6.257e-13 0.0503 + 0.095 1.354e-14 5.051e-14 0.1106 1.409e-12 0.05573 + 0.09625 4.153e-14 1.853e-13 0.09838 3.654e-12 0.06101 + 0.09688 7.198e-14 3.514e-13 0.0923 6.276e-12 0.06361 + 0.0975 1.238e-13 6.592e-13 0.08632 1.105e-11 0.06617 + 0.09813 2.148e-13 1.242e-12 0.08042 2.009e-11 0.06868 + 0.09875 3.828e-13 2.389e-12 0.07463 3.806e-11 0.07114 + 0.09906 5.254e-13 3.399e-12 0.07175 5.406e-11 0.07236 + 0.09938 7.315e-13 4.902e-12 0.0689 7.808e-11 0.07357 + 0.09953 8.708e-13 6.032e-12 0.06747 9.492e-11 0.07418 + 0.09969 1.033e-12 8.305e-12 0.06606 1.178e-10 0.07478 + 0.09984 1.161e-12 2.036e-11 0.06465 2.037e-10 0.07537 + 0.09992 1.023e-12 6.399e-11 0.06394 1.014e-09 0.07567 + 0.09996 7.337e-13 1.286e-10 0.06359 4.172e-09 0.07582 + 0.1 9.826e-14 1.764e-11 0.06324 1.594e-08 0.07597 ------------------------------------------------------------------------------- z HO2 H2O2 C CH CH2 ------------------------------------------------------------------------------- - 0 -9.666e-19 -4.493e-18 1.262e-17 -3.088e-33 -4.675e-18 - 0.01 -2.558e-17 -4.485e-18 4.07e-25 -2.507e-41 -3.079e-24 - 0.02 -2.299e-17 -2.646e-18 1.267e-32 3.996e-47 -1.955e-30 - 0.03 3.923e-17 4.568e-17 3.705e-40 8.684e-53 8.405e-37 - 0.04 1.509e-15 1.198e-15 9.858e-48 -4.345e-45 5.232e-36 - 0.05 3.309e-14 2.612e-14 2.288e-55 6.777e-43 2.783e-35 - 0.06 6.232e-13 4.948e-13 4.499e-63 -1.486e-41 6.152e-32 - 0.065 4.073e-12 3.251e-12 4.472e-66 2.145e-40 1.504e-29 - 0.07 2.872e-11 2.304e-11 -6.35e-64 -7.008e-40 4.518e-27 - 0.075 1.774e-10 1.429e-10 -3.373e-59 -1.151e-37 8.646e-25 - 0.08 8.809e-10 7.066e-10 4.099e-57 1.794e-37 6.849e-23 - 0.0825 1.905e-09 1.488e-09 2.113e-56 1.107e-37 4.861e-22 - 0.085 3.822e-09 2.87e-09 9.05e-51 -1.073e-37 2.388e-21 - 0.0875 6.817e-09 4.853e-09 1.487e-43 7.878e-36 8.794e-21 - 0.08875 8.802e-09 6.057e-09 6.521e-37 5.617e-35 1.804e-20 - 0.09 1.106e-08 7.346e-09 1.507e-30 -1.359e-33 3.773e-20 - 0.09125 1.357e-08 8.676e-09 -1.299e-30 1.02e-32 8.435e-20 - 0.0925 1.628e-08 1.001e-08 -1.164e-31 1.076e-31 2.132e-19 - 0.09375 1.919e-08 1.13e-08 -3.33e-31 1.651e-30 6.452e-19 - 0.095 2.228e-08 1.25e-08 -6.332e-31 2.502e-29 2.41e-18 - 0.09625 2.555e-08 1.354e-08 7.553e-31 4.022e-28 1.11e-17 - 0.09688 2.731e-08 1.395e-08 1.079e-30 1.829e-27 2.705e-17 - 0.0975 2.913e-08 1.427e-08 -5.852e-30 8.758e-27 6.963e-17 - 0.09813 3.103e-08 1.447e-08 1.569e-29 4.6e-26 1.933e-16 - 0.09875 3.302e-08 1.455e-08 5.534e-35 2.785e-25 5.954e-16 - 0.09906 3.404e-08 1.456e-08 1.118e-33 7.719e-25 1.133e-15 - 0.09938 3.506e-08 1.455e-08 4.915e-33 2.28e-24 2.251e-15 - 0.09953 3.555e-08 1.454e-08 1.089e-32 4.087e-24 3.268e-15 - 0.09969 3.603e-08 1.452e-08 3.872e-33 7.485e-24 4.849e-15 - 0.09984 3.649e-08 1.451e-08 -8.636e-29 1.562e-23 8.542e-15 - 0.09992 3.671e-08 1.45e-08 -1.308e-25 5.673e-23 2.999e-14 - 0.09994 3.678e-08 1.451e-08 -2.046e-27 1.382e-22 6.567e-14 - 0.09996 3.685e-08 1.451e-08 1.68e-28 3.455e-22 1.34e-13 - 0.09997 3.687e-08 1.451e-08 5.132e-27 5.915e-22 1.939e-13 - 0.09998 3.689e-08 1.451e-08 8.887e-26 1.038e-21 2.768e-13 - 0.09999 3.69e-08 1.451e-08 6.413e-25 1.384e-21 3.272e-13 - 0.09999 3.69e-08 1.451e-08 3.647e-24 1.825e-21 3.801e-13 - 0.1 3.691e-08 1.451e-08 2.059e-23 2.326e-21 4.267e-13 - 0.1 3.691e-08 1.451e-08 5.854e-23 2.513e-21 4.391e-13 - 0.1 3.691e-08 1.451e-08 1.523e-22 2.513e-21 4.391e-13 + 0 2.2e-21 9.48e-21 5.284e-19 -3.28e-37 2.188e-19 + 0.01 5.823e-20 2.526e-19 1.705e-26 -1.006e-45 1.441e-25 + 0.02 1.294e-18 1.869e-18 5.306e-34 9.978e-46 9.149e-32 + 0.03 4.386e-17 3.699e-17 1.551e-41 -8.918e-49 -1.04e-34 + 0.04 1.079e-15 8.593e-16 1.165e-44 -6.501e-45 -2.06e-33 + 0.05 2.374e-14 1.841e-14 6.501e-36 -2.815e-43 -3.308e-32 + 0.06 4.557e-13 3.438e-13 -4.848e-36 2.766e-41 1.836e-29 + 0.065 3.036e-12 2.226e-12 -5.164e-36 4.204e-40 1.162e-27 + 0.07 2.165e-11 1.562e-11 2.044e-35 7.032e-39 7.651e-26 + 0.075 1.35e-10 9.603e-11 3.025e-34 -5.804e-38 3.325e-24 + 0.08 6.741e-10 4.706e-10 1.993e-34 2.318e-37 8.455e-23 + 0.0825 1.455e-09 9.87e-10 -9.65e-35 -5.504e-37 4.363e-22 + 0.085 2.903e-09 1.898e-09 -7.681e-36 3.811e-37 1.893e-21 + 0.0875 5.136e-09 3.205e-09 5.613e-34 1.294e-35 6.828e-21 + 0.09 8.091e-09 4.786e-09 -7.606e-33 2.451e-34 2.466e-20 + 0.09125 9.863e-09 5.653e-09 -9.056e-33 3.404e-33 5.673e-20 + 0.0925 1.177e-08 6.526e-09 -9.722e-33 5.393e-32 1.477e-19 + 0.09375 1.38e-08 7.38e-09 -7.478e-32 8.306e-31 4.639e-19 + 0.095 1.595e-08 8.181e-09 1.057e-31 1.264e-29 1.787e-18 + 0.09625 1.822e-08 8.875e-09 3.107e-31 1.991e-28 8.287e-18 + 0.09688 1.943e-08 9.153e-09 1.161e-30 8.772e-28 1.99e-17 + 0.0975 2.068e-08 9.368e-09 -5.654e-29 4.025e-27 4.999e-17 + 0.09813 2.196e-08 9.509e-09 -1.918e-35 1.99e-26 1.337e-16 + 0.09875 2.326e-08 9.571e-09 6.613e-35 1.104e-25 3.892e-16 + 0.09906 2.39e-08 9.576e-09 8.835e-34 2.858e-25 7.083e-16 + 0.09938 2.45e-08 9.569e-09 1.264e-29 7.774e-25 1.334e-15 + 0.09953 2.478e-08 9.563e-09 8.797e-26 1.322e-24 1.873e-15 + 0.09969 2.504e-08 9.556e-09 3.398e-22 2.31e-24 2.7e-15 + 0.09984 2.526e-08 9.551e-09 1.404e-18 5.448e-24 5.392e-15 + 0.09992 2.537e-08 9.549e-09 2.109e-15 3.54e-23 2.821e-14 + 0.09996 2.541e-08 9.548e-09 7.817e-13 2.601e-22 1.12e-13 + 0.1 2.541e-08 9.548e-09 1.922e-10 -1.426e-21 1.119e-13 ------------------------------------------------------------------------------- z CH2(S) CH3 CH4 CO CO2 ------------------------------------------------------------------------------- - 0 -5.135e-33 9.264e-20 0.04998 6.544e-19 8.54e-16 - 0.01 -1.231e-31 2.27e-18 0.04998 1.735e-17 2.945e-14 - 0.02 -3.24e-38 8.472e-18 0.04998 1.893e-17 1.004e-12 - 0.03 9.38e-38 2.567e-17 0.04998 5.896e-17 3.3e-11 - 0.04 2.565e-37 4.173e-16 0.04998 1.008e-15 1.018e-09 - 0.05 1.434e-36 8.297e-15 0.04998 2.143e-14 2.854e-08 - 0.06 3.197e-33 1.448e-13 0.04998 4.035e-13 6.958e-07 - 0.065 7.814e-31 8.865e-13 0.04997 2.64e-12 5.718e-06 - 0.07 2.351e-28 5.833e-12 0.04992 1.864e-11 5.128e-05 - 0.075 4.532e-26 3.388e-11 0.04964 1.152e-10 0.0003979 - 0.08 3.701e-24 1.622e-10 0.04843 5.694e-10 0.002428 - 0.0825 2.719e-23 3.678e-10 0.04684 1.21e-09 0.005861 - 0.085 1.396e-22 8.143e-10 0.04411 2.367e-09 0.01295 - 0.0875 5.284e-22 1.747e-09 0.0402 4.082e-09 0.02463 - 0.08875 1.076e-21 2.644e-09 0.0378 5.157e-09 0.03244 - 0.09 2.201e-21 3.987e-09 0.0352 6.331e-09 0.04132 - 0.09125 4.729e-21 6.03e-09 0.03247 7.568e-09 0.051 - 0.0925 1.129e-20 9.216e-09 0.02967 8.824e-09 0.0612 - 0.09375 3.173e-20 1.437e-08 0.02685 1.004e-08 0.07169 - 0.095 1.087e-19 2.312e-08 0.02405 1.113e-08 0.08223 - 0.09625 4.55e-19 3.908e-08 0.0213 1.189e-08 0.09267 - 0.09688 1.054e-18 5.337e-08 0.01993 1.199e-08 0.09789 - 0.0975 2.572e-18 7.448e-08 0.01858 1.176e-08 0.103 - 0.09813 6.757e-18 1.075e-07 0.01725 1.103e-08 0.1081 - 0.09875 1.966e-17 1.631e-07 0.01594 9.461e-09 0.1131 - 0.09906 3.632e-17 2.089e-07 0.01528 8.12e-09 0.1156 - 0.09938 7.004e-17 2.733e-07 0.01464 6.282e-09 0.1181 - 0.09953 1.001e-16 3.171e-07 0.01432 5.1e-09 0.1193 - 0.09969 1.463e-16 3.71e-07 0.01399 3.711e-09 0.1206 - 0.09984 2.529e-16 4.383e-07 0.01367 2.074e-09 0.1218 - 0.09992 8.727e-16 4.782e-07 0.01351 1.136e-09 0.1223 - 0.09994 1.9e-15 4.883e-07 0.01347 8.818e-10 0.1225 - 0.09996 3.873e-15 4.977e-07 0.01343 6.157e-10 0.1227 - 0.09997 5.62e-15 5.018e-07 0.01341 4.75e-10 0.1228 - 0.09998 8.112e-15 5.051e-07 0.01339 3.274e-10 0.1228 - 0.09999 9.755e-15 5.064e-07 0.01338 2.501e-10 0.1229 - 0.09999 1.171e-14 5.074e-07 0.01337 1.701e-10 0.1229 - 0.1 1.401e-14 5.081e-07 0.01337 8.69e-11 0.123 - 0.1 1.521e-14 5.082e-07 0.01336 4.393e-11 0.123 - 0.1 1.521e-14 5.082e-07 0.01336 2.424e-14 0.123 + 0 2.403e-34 1.295e-19 0.04998 5.853e-20 9.056e-16 + 0.01 5.762e-33 3.173e-18 0.04998 1.552e-18 3.122e-14 + 0.02 -3.007e-37 5.551e-17 0.04998 2.581e-18 1.064e-12 + 0.03 -4.798e-36 1.003e-15 0.04998 2.859e-17 3.498e-11 + 0.04 -9.503e-35 1.763e-14 0.04998 6.45e-16 1.079e-09 + 0.05 -1.48e-33 2.672e-13 0.04998 1.391e-14 3.024e-08 + 0.06 9.573e-31 2.972e-12 0.04998 2.62e-13 7.37e-07 + 0.065 6.038e-29 9.038e-12 0.04997 1.713e-12 6.052e-06 + 0.07 3.982e-27 2.766e-11 0.04992 1.208e-11 5.422e-05 + 0.075 1.743e-25 7.623e-11 0.04963 7.454e-11 0.00042 + 0.08 4.568e-24 2.067e-10 0.04838 3.675e-10 0.002555 + 0.0825 2.438e-23 4.011e-10 0.04675 7.79e-10 0.00615 + 0.085 1.104e-22 8.38e-10 0.04394 1.519e-09 0.01354 + 0.0875 4.081e-22 1.784e-09 0.03995 2.612e-09 0.02567 + 0.09 1.436e-21 3.783e-09 0.03509 3.979e-09 0.04206 + 0.09125 3.17e-21 5.75e-09 0.03236 4.746e-09 0.05172 + 0.0925 7.774e-21 8.749e-09 0.02957 5.525e-09 0.06191 + 0.09375 2.263e-20 1.35e-08 0.02675 6.281e-09 0.07237 + 0.095 7.99e-20 2.139e-08 0.02395 6.954e-09 0.08291 + 0.09625 3.368e-19 3.538e-08 0.02121 7.426e-09 0.09334 + 0.09688 7.683e-19 4.752e-08 0.01984 7.483e-09 0.09856 + 0.0975 1.831e-18 6.505e-08 0.01849 7.35e-09 0.1037 + 0.09813 4.633e-18 9.165e-08 0.01716 6.914e-09 0.1088 + 0.09875 1.274e-17 1.345e-07 0.01585 5.987e-09 0.1138 + 0.09906 2.252e-17 1.682e-07 0.0152 5.21e-09 0.1163 + 0.09938 4.115e-17 2.139e-07 0.01455 4.16e-09 0.1188 + 0.09953 5.689e-17 2.438e-07 0.01423 3.494e-09 0.12 + 0.09969 8.074e-17 2.796e-07 0.01391 2.719e-09 0.1212 + 0.09984 1.58e-16 3.23e-07 0.01359 1.816e-09 0.1224 + 0.09992 8.158e-16 3.474e-07 0.01343 1.301e-09 0.123 + 0.09996 3.407e-15 3.573e-07 0.01335 1.008e-09 0.1234 + 0.1 3.407e-15 3.573e-07 0.01327 2.418e-14 0.1237 ------------------------------------------------------------------------------- z HCO CH2O CH2OH CH3O CH3OH ------------------------------------------------------------------------------- - 0 -7.124e-26 -1.2e-18 1.174e-40 -7.407e-31 -2.398e-19 - 0.01 -2.466e-24 -4.189e-17 4.125e-39 -2.603e-29 -2.292e-19 - 0.02 -1.073e-30 9.596e-19 7.635e-39 -6.982e-30 1.425e-19 - 0.03 1.373e-34 1.425e-15 6.394e-38 4.275e-28 1.273e-17 - 0.04 1.343e-33 4.581e-14 6.215e-37 2.035e-25 4.124e-16 - 0.05 3.44e-32 1.3e-12 7.357e-36 8.862e-23 1.192e-14 - 0.06 1.218e-29 3.208e-11 3.479e-33 2.902e-20 2.995e-13 - 0.065 1.122e-27 2.665e-10 9.02e-31 1.162e-18 2.529e-12 - 0.07 2.788e-25 2.416e-09 3.623e-28 5.367e-17 2.333e-11 - 0.075 6.551e-23 1.893e-08 9.386e-26 1.889e-15 1.859e-10 - 0.08 6.694e-21 1.163e-07 9.514e-24 4.093e-14 1.16e-09 - 0.0825 5.309e-20 2.809e-07 7.289e-23 1.743e-13 2.832e-09 - 0.085 3.017e-19 6.182e-07 3.835e-22 5.815e-13 6.303e-09 - 0.0875 1.513e-18 1.165e-06 1.633e-21 1.408e-12 1.2e-08 - 0.08875 4.047e-18 1.525e-06 4.133e-21 2.09e-12 1.578e-08 - 0.09 1.204e-17 1.928e-06 1.337e-20 2.946e-12 2.005e-08 - 0.09125 3.815e-17 2.361e-06 5.34e-20 3.975e-12 2.465e-08 - 0.0925 1.225e-16 2.81e-06 2.266e-19 5.108e-12 2.946e-08 - 0.09375 3.893e-16 3.262e-06 9.115e-19 6.194e-12 3.431e-08 - 0.095 1.227e-15 3.707e-06 3.331e-18 7.184e-12 3.908e-08 - 0.09625 3.887e-15 4.133e-06 1.114e-17 8.368e-12 4.362e-08 - 0.09688 7.131e-15 4.335e-06 2.022e-17 9.472e-12 4.58e-08 - 0.0975 1.319e-14 4.526e-06 3.662e-17 1.1e-11 4.786e-08 - 0.09813 2.49e-14 4.7e-06 6.728e-17 1.332e-11 4.978e-08 - 0.09875 4.865e-14 4.851e-06 1.287e-16 1.712e-11 5.152e-08 - 0.09906 7.026e-14 4.913e-06 1.852e-16 2.025e-11 5.23e-08 - 0.09938 1.032e-13 4.963e-06 2.751e-16 2.453e-11 5.3e-08 - 0.09953 1.267e-13 4.982e-06 3.421e-16 2.739e-11 5.331e-08 - 0.09969 1.568e-13 4.997e-06 4.317e-16 3.085e-11 5.359e-08 - 0.09984 2.015e-13 5.006e-06 5.79e-16 3.51e-11 5.383e-08 - 0.09992 3.135e-13 5.005e-06 1.117e-15 3.758e-11 5.391e-08 - 0.09994 4.743e-13 5.006e-06 1.978e-15 3.817e-11 5.394e-08 - 0.09996 7.737e-13 5.007e-06 3.626e-15 3.868e-11 5.397e-08 - 0.09997 1.035e-12 5.008e-06 5.087e-15 3.888e-11 5.398e-08 - 0.09998 1.406e-12 5.008e-06 7.165e-15 3.902e-11 5.399e-08 - 0.09999 1.645e-12 5.008e-06 8.51e-15 3.907e-11 5.399e-08 - 0.09999 1.916e-12 5.008e-06 1.003e-14 3.911e-11 5.399e-08 - 0.1 2.187e-12 5.008e-06 1.155e-14 3.913e-11 5.4e-08 - 0.1 2.272e-12 5.008e-06 1.202e-14 3.913e-11 5.4e-08 - 0.1 2.272e-12 5.008e-06 1.202e-14 3.913e-11 5.4e-08 + 0 7.859e-28 4.445e-20 5.151e-43 1.281e-33 1.58e-21 + 0.01 2.721e-26 1.551e-18 1.81e-41 4.501e-32 7.503e-21 + 0.02 1.343e-32 3.248e-17 1.718e-40 2.406e-29 2.156e-19 + 0.03 6.917e-36 1.06e-15 1.966e-39 1.425e-26 7.261e-18 + 0.04 1.337e-33 3.309e-14 1.035e-37 6.147e-24 2.309e-16 + 0.05 5.599e-31 9.382e-13 4.236e-35 2.047e-21 6.67e-15 + 0.06 1.72e-28 2.314e-11 3.347e-32 4.358e-19 1.675e-13 + 0.065 7.129e-27 1.92e-10 4.003e-30 8.828e-18 1.413e-12 + 0.07 7.451e-25 1.739e-09 7.32e-28 1.919e-16 1.302e-11 + 0.075 8.119e-23 1.36e-08 8.98e-26 3.233e-15 1.036e-10 + 0.08 4.67e-21 8.326e-08 5.132e-24 3.985e-14 6.444e-10 + 0.0825 3.152e-20 2.005e-07 3.335e-23 1.446e-13 1.569e-09 + 0.085 1.706e-19 4.395e-07 1.65e-22 4.511e-13 3.478e-09 + 0.0875 9.137e-19 8.254e-07 7.291e-22 1.072e-12 6.599e-09 + 0.09 7.357e-18 1.335e-06 6.354e-21 2.009e-12 1.077e-08 + 0.09125 2.412e-17 1.629e-06 2.681e-20 2.715e-12 1.32e-08 + 0.0925 7.817e-17 1.934e-06 1.15e-19 3.459e-12 1.572e-08 + 0.09375 2.477e-16 2.242e-06 4.585e-19 4.137e-12 1.826e-08 + 0.095 7.725e-16 2.544e-06 1.65e-18 4.717e-12 2.075e-08 + 0.09625 2.407e-15 2.833e-06 5.421e-18 5.384e-12 2.311e-08 + 0.09688 4.353e-15 2.969e-06 9.73e-18 6.002e-12 2.422e-08 + 0.0975 7.917e-15 3.098e-06 1.74e-17 6.85e-12 2.526e-08 + 0.09813 1.46e-14 3.214e-06 3.146e-17 8.108e-12 2.623e-08 + 0.09875 2.764e-14 3.314e-06 5.897e-17 1.009e-11 2.708e-08 + 0.09906 3.896e-14 3.354e-06 8.358e-17 1.165e-11 2.746e-08 + 0.09938 5.564e-14 3.386e-06 1.219e-16 1.369e-11 2.778e-08 + 0.09953 6.71e-14 3.398e-06 1.497e-16 1.501e-11 2.792e-08 + 0.09969 8.156e-14 3.407e-06 1.87e-16 1.655e-11 2.805e-08 + 0.09984 1.067e-13 3.413e-06 2.693e-16 1.838e-11 2.815e-08 + 0.09992 2.131e-13 3.414e-06 7.935e-16 1.937e-11 2.82e-08 + 0.09996 5.837e-13 3.414e-06 2.769e-15 1.969e-11 2.821e-08 + 0.1 5.836e-13 3.414e-06 2.769e-15 1.969e-11 2.821e-08 ------------------------------------------------------------------------------- z C2H C2H2 C2H3 C2H4 C2H5 ------------------------------------------------------------------------------- - 0 1.227e-17 1.183e-19 -3.634e-17 -1.453e-20 -2.416e-32 - 0.01 2.4e-25 -1.674e-19 -8.314e-24 3.58e-20 -8.808e-31 - 0.02 4.527e-33 -1.672e-19 -1.833e-30 1.732e-18 6.634e-30 - 0.03 8.008e-41 -1.586e-19 -3.789e-37 5.653e-17 1.296e-29 - 0.04 1.287e-48 9.051e-20 1.15e-38 1.716e-15 1.934e-29 - 0.05 1.662e-50 6.692e-18 4.924e-36 4.731e-14 1.313e-29 - 0.06 5.401e-47 1.586e-16 2.165e-33 1.135e-12 5.213e-28 - 0.065 1.709e-44 1.245e-15 1.396e-31 9.189e-12 1.6e-25 - 0.07 7.093e-42 1.063e-14 2.148e-29 8.114e-11 6.398e-23 - 0.075 2.455e-39 7.877e-14 4.523e-27 6.203e-10 1.643e-20 - 0.08 1.053e-36 4.601e-13 6.194e-25 3.73e-09 1.532e-18 - 0.0825 4.827e-35 1.081e-12 7.49e-24 8.914e-09 1.051e-17 - 0.085 3.742e-33 2.326e-12 8.605e-23 1.948e-08 4.643e-17 - 0.0875 3.029e-31 4.328e-12 1.089e-21 3.666e-08 1.535e-16 - 0.08875 2.531e-30 5.647e-12 4.556e-21 4.802e-08 3.093e-16 - 0.09 1.864e-29 7.13e-12 1.976e-20 6.085e-08 6.935e-16 - 0.09125 1.215e-28 8.734e-12 8.447e-20 7.474e-08 1.766e-15 - 0.0925 7.3e-28 1.041e-11 3.443e-19 8.929e-08 4.959e-15 - 0.09375 4.282e-27 1.213e-11 1.329e-18 1.041e-07 1.472e-14 - 0.095 2.565e-26 1.384e-11 4.923e-18 1.19e-07 4.529e-14 - 0.09625 1.584e-25 1.552e-11 1.795e-17 1.336e-07 1.45e-13 - 0.09688 4.08e-25 1.635e-11 3.532e-17 1.407e-07 2.732e-13 - 0.0975 1.058e-24 1.715e-11 7.023e-17 1.477e-07 5.268e-13 - 0.09813 2.785e-24 1.791e-11 1.43e-16 1.544e-07 1.057e-12 - 0.09875 7.552e-24 1.862e-11 3.034e-16 1.607e-07 2.26e-12 - 0.09906 1.284e-23 1.893e-11 4.583e-16 1.635e-07 3.48e-12 - 0.09938 2.215e-23 1.922e-11 7.056e-16 1.661e-07 5.531e-12 - 0.09953 2.945e-23 1.934e-11 8.873e-16 1.673e-07 7.131e-12 - 0.09969 3.963e-23 1.945e-11 1.126e-15 1.683e-07 9.464e-12 - 0.09984 6.302e-23 1.954e-11 1.501e-15 1.691e-07 1.555e-11 - 0.09992 2.149e-22 1.956e-11 2.61e-15 1.694e-07 3.709e-11 - 0.09994 4.677e-22 1.958e-11 4.25e-15 1.695e-07 5.244e-11 - 0.09996 9.482e-22 1.959e-11 7.275e-15 1.696e-07 7.199e-11 - 0.09997 1.373e-21 1.959e-11 9.799e-15 1.696e-07 8.255e-11 - 0.09998 1.98e-21 1.959e-11 1.31e-14 1.696e-07 9.273e-11 - 0.09999 2.381e-21 1.959e-11 1.495e-14 1.696e-07 9.706e-11 - 0.09999 2.851e-21 1.959e-11 1.678e-14 1.696e-07 1.006e-10 - 0.1 3.357e-21 1.959e-11 1.826e-14 1.696e-07 1.029e-10 - 0.1 3.536e-21 1.959e-11 1.864e-14 1.696e-07 1.034e-10 - 0.1 3.537e-21 1.959e-11 1.864e-14 1.696e-07 1.034e-10 + 0 -2.03e-19 2.14e-21 4.747e-19 5.911e-22 3.388e-32 + 0.01 -3.971e-27 5.877e-21 1.086e-25 2.431e-20 1.235e-30 + 0.02 -7.49e-35 6.029e-21 2.395e-32 8.189e-19 -5.103e-29 + 0.03 -1.325e-42 1.076e-20 5.289e-39 2.648e-17 -7.897e-28 + 0.04 -2.126e-50 1.489e-19 1.765e-37 8.037e-16 -1.553e-26 + 0.05 8.874e-50 3.807e-18 7.389e-35 2.215e-14 -3.088e-25 + 0.06 4.488e-46 8.794e-17 2.049e-32 5.31e-13 -4.39e-24 + 0.065 7.425e-44 6.892e-16 6.203e-31 4.297e-12 -1.602e-23 + 0.07 1.455e-41 5.88e-15 3.93e-29 3.79e-11 9.776e-23 + 0.075 2.396e-39 4.348e-14 3.706e-27 2.893e-10 1.762e-20 + 0.08 5.834e-37 2.533e-13 2.856e-25 1.734e-09 9.337e-19 + 0.0825 2.286e-35 5.933e-13 2.968e-24 4.133e-09 5.429e-18 + 0.085 1.668e-33 1.272e-12 3.322e-23 8.999e-09 2.249e-17 + 0.0875 1.329e-31 2.36e-12 4.59e-22 1.688e-08 7.568e-17 + 0.09 7.184e-30 3.801e-12 8.253e-21 2.738e-08 3.395e-16 + 0.09125 4.678e-29 4.642e-12 3.592e-20 3.352e-08 9.27e-16 + 0.0925 2.85e-28 5.521e-12 1.464e-19 3.995e-08 2.719e-15 + 0.09375 1.731e-27 6.419e-12 5.594e-19 4.651e-08 8.24e-15 + 0.095 1.08e-26 7.318e-12 2.037e-18 5.307e-08 2.545e-14 + 0.09625 6.853e-26 8.2e-12 7.256e-18 5.95e-08 8.097e-14 + 0.09688 1.768e-25 8.635e-12 1.403e-17 6.265e-08 1.511e-13 + 0.0975 4.558e-25 9.059e-12 2.732e-17 6.571e-08 2.88e-13 + 0.09813 1.185e-24 9.467e-12 5.422e-17 6.863e-08 5.688e-13 + 0.09875 3.141e-24 9.851e-12 1.111e-16 7.132e-08 1.187e-12 + 0.09906 5.237e-24 1.003e-11 1.637e-16 7.252e-08 1.792e-12 + 0.09938 8.833e-24 1.02e-11 2.447e-16 7.36e-08 2.778e-12 + 0.09953 1.205e-23 1.027e-11 3.022e-16 7.406e-08 3.523e-12 + 0.09969 1.523e-23 1.034e-11 3.764e-16 7.447e-08 4.621e-12 + 0.09984 2.875e-23 1.041e-11 5.15e-16 7.479e-08 7.89e-12 + 0.09992 1.497e-22 1.044e-11 1.184e-15 7.491e-08 1.944e-11 + 0.09996 6.335e-22 1.045e-11 3.323e-15 7.494e-08 3.286e-11 + 0.1 6.335e-22 1.045e-11 3.323e-15 7.494e-08 3.286e-11 ------------------------------------------------------------------------------- z C2H6 HCCO CH2CO HCCOH AR ------------------------------------------------------------------------------- - 0 1.396e-17 2.383e-38 -4.516e-27 -1.964e-27 0.0131 - 0.01 1.551e-17 5.222e-37 -4.494e-27 -1.96e-27 0.0131 - 0.02 7.878e-17 1.787e-37 -3.608e-27 -1.791e-27 0.0131 - 0.03 2.24e-15 6.316e-38 3.039e-26 4.674e-27 0.0131 - 0.04 7.305e-14 6.143e-38 1.254e-24 2.373e-25 0.0131 - 0.05 2.179e-12 3.273e-37 4.116e-23 7.826e-24 0.0131 - 0.06 5.656e-11 1.824e-36 1.17e-21 2.225e-22 0.0131 - 0.065 4.917e-10 8.23e-36 1.105e-20 2.101e-21 0.0131 - 0.07 4.677e-09 3.693e-34 1.145e-19 2.178e-20 0.0131 - 0.075 3.839e-08 3.592e-32 1.021e-18 1.941e-19 0.0131 - 0.08 2.469e-07 2.883e-30 7.082e-18 1.347e-18 0.01311 - 0.0825 6.164e-07 2.322e-29 1.855e-17 3.527e-18 0.01311 - 0.085 1.407e-06 1.118e-28 4.425e-17 8.415e-18 0.01311 - 0.0875 2.747e-06 3.447e-28 8.932e-17 1.699e-17 0.01311 - 0.08875 3.657e-06 8.576e-28 1.205e-16 2.292e-17 0.01311 - 0.09 4.7e-06 4.866e-27 1.566e-16 2.978e-17 0.0131 - 0.09125 5.844e-06 4.916e-26 1.965e-16 3.737e-17 0.01309 - 0.0925 7.053e-06 4.922e-25 2.389e-16 4.543e-17 0.01308 - 0.09375 8.294e-06 4.069e-24 2.826e-16 5.375e-17 0.01306 - 0.095 9.538e-06 2.712e-23 3.266e-16 6.212e-17 0.01305 - 0.09625 1.076e-05 1.522e-22 3.701e-16 7.042e-17 0.01304 - 0.09688 1.136e-05 3.555e-22 3.916e-16 7.454e-17 0.01303 - 0.0975 1.194e-05 8.186e-22 4.128e-16 7.86e-17 0.01303 - 0.09813 1.25e-05 1.894e-21 4.334e-16 8.258e-17 0.01302 - 0.09875 1.301e-05 4.488e-21 4.53e-16 8.643e-17 0.01301 - 0.09906 1.323e-05 7.137e-21 4.624e-16 8.828e-17 0.01301 - 0.09938 1.343e-05 1.152e-20 4.712e-16 9.006e-17 0.01301 - 0.09953 1.351e-05 1.479e-20 4.753e-16 9.09e-17 0.013 - 0.09969 1.358e-05 1.885e-20 4.792e-16 9.172e-17 0.013 - 0.09984 1.362e-05 2.242e-20 4.828e-16 9.248e-17 0.013 - 0.09992 1.363e-05 1.982e-20 4.842e-16 9.278e-17 0.01299 - 0.09994 1.363e-05 1.75e-20 4.847e-16 9.289e-17 0.013 - 0.09996 1.363e-05 1.423e-20 4.851e-16 9.298e-17 0.013 - 0.09997 1.364e-05 1.219e-20 4.852e-16 9.301e-17 0.013 - 0.09998 1.364e-05 9.959e-21 4.854e-16 9.304e-17 0.013 - 0.09999 1.364e-05 8.883e-21 4.854e-16 9.305e-17 0.013 - 0.09999 1.364e-05 7.923e-21 4.854e-16 9.306e-17 0.013 - 0.1 1.364e-05 7.222e-21 4.855e-16 9.306e-17 0.013 - 0.1 1.364e-05 7.057e-21 4.855e-16 9.307e-17 0.013 - 0.1 1.364e-05 7.057e-21 4.855e-16 9.307e-17 0.013 + 0 -6.681e-19 -3.584e-41 -4.368e-28 1.807e-28 0.0131 + 0.01 -3.506e-20 -7.854e-40 -4.281e-28 1.822e-28 0.0131 + 0.02 1.311e-17 -2.769e-40 -8.107e-29 2.431e-28 0.0131 + 0.03 8.793e-16 -1.798e-40 1.324e-26 2.581e-27 0.0131 + 0.04 3.558e-14 -8.536e-40 4.925e-25 8.669e-26 0.0131 + 0.05 1.191e-12 -5.963e-39 1.612e-23 2.829e-24 0.0131 + 0.06 3.347e-11 1.243e-37 4.581e-22 8.039e-23 0.0131 + 0.065 3.047e-10 1.71e-35 4.322e-21 7.585e-22 0.0131 + 0.07 2.943e-09 1.633e-33 4.476e-20 7.855e-21 0.0131 + 0.075 2.424e-08 1.028e-31 3.982e-19 6.987e-20 0.0131 + 0.08 1.557e-07 3.01e-30 2.754e-18 4.833e-19 0.01311 + 0.0825 3.876e-07 1.181e-29 7.19e-18 1.262e-18 0.01311 + 0.085 8.815e-07 4.004e-29 1.709e-17 2.998e-18 0.01311 + 0.0875 1.715e-06 1.232e-28 3.436e-17 6.029e-18 0.01311 + 0.09 2.861e-06 2.269e-27 5.865e-17 1.029e-17 0.0131 + 0.09125 3.541e-06 2.407e-26 7.322e-17 1.285e-17 0.01309 + 0.0925 4.26e-06 2.294e-25 8.871e-17 1.557e-17 0.01307 + 0.09375 4.997e-06 1.798e-24 1.047e-16 1.837e-17 0.01306 + 0.095 5.735e-06 1.148e-23 1.208e-16 2.12e-17 0.01305 + 0.09625 6.456e-06 6.228e-23 1.367e-16 2.4e-17 0.01304 + 0.09688 6.809e-06 1.428e-22 1.446e-16 2.539e-17 0.01303 + 0.0975 7.148e-06 3.224e-22 1.523e-16 2.676e-17 0.01302 + 0.09813 7.469e-06 7.288e-22 1.598e-16 2.81e-17 0.01302 + 0.09875 7.759e-06 1.676e-21 1.669e-16 2.939e-17 0.01301 + 0.09906 7.885e-06 2.607e-21 1.702e-16 3e-17 0.01301 + 0.09938 7.992e-06 4.13e-21 1.734e-16 3.059e-17 0.013 + 0.09953 8.034e-06 5.854e-21 1.748e-16 3.087e-17 0.013 + 0.09969 8.067e-06 7.16e-21 1.762e-16 3.113e-17 0.013 + 0.09984 8.089e-06 1.974e-20 1.775e-16 3.137e-17 0.013 + 0.09992 8.094e-06 6.385e-20 1.78e-16 3.149e-17 0.013 + 0.09996 8.095e-06 1.221e-19 1.782e-16 3.153e-17 0.013 + 0.1 8.095e-06 1.221e-19 1.782e-16 3.153e-17 0.013 ------------------------------------------------------------------------------- z N2 @@ -852,75 +692,64 @@ no new points needed in flow 0.08 0.717 0.0825 0.7172 0.085 0.7173 - 0.0875 0.7171 - 0.08875 0.7168 - 0.09 0.7164 - 0.09125 0.7159 - 0.0925 0.7153 - 0.09375 0.7146 - 0.095 0.7139 - 0.09625 0.7131 - 0.09688 0.7128 - 0.0975 0.7124 - 0.09813 0.712 - 0.09875 0.7117 - 0.09906 0.7115 - 0.09938 0.7113 - 0.09953 0.7112 - 0.09969 0.7111 - 0.09984 0.7111 - 0.09992 0.7106 - 0.09994 0.7108 + 0.0875 0.717 + 0.09 0.7163 + 0.09125 0.7158 + 0.0925 0.7151 + 0.09375 0.7145 + 0.095 0.7137 + 0.09625 0.713 + 0.09688 0.7126 + 0.0975 0.7123 + 0.09813 0.7119 + 0.09875 0.7116 + 0.09906 0.7114 + 0.09938 0.7112 + 0.09953 0.7111 + 0.09969 0.711 + 0.09984 0.7109 + 0.09992 0.7109 0.09996 0.7109 - 0.09997 0.7109 - 0.09998 0.7109 - 0.09999 0.7109 - 0.09999 0.7109 0.1 0.7109 - 0.1 0.711 - 0.1 0.711 >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> surface <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<< Temperature: 900 K Coverages: - PT(S) 0.1251 - H(S) 2.669e-07 - H2O(S) 3.122e-05 - OH(S) 0.007569 + PT(S) 0.1254 + H(S) 2.681e-07 + H2O(S) 3.134e-05 + OH(S) 0.007582 CO(S) 3.847e-05 - CO2(S) 4.166e-10 - CH3(S) 3.111e-09 - CH2(S)s 3.111e-09 - CH(S) 3.111e-09 - C(S) 1.367e-07 - O(S) 0.8673 + CO2(S) 4.164e-10 + CH3(S) 3.102e-09 + CH2(S)s 3.102e-09 + CH(S) 3.102e-09 + C(S) 1.368e-07 + O(S) 0.867 -Solution saved to file catcomb.xml as solution soln1_3. +Solution saved to file catcomb.xml as solution soln1. solution saved to catcomb.csv Statistics: Grid Functions Time Jacobians Time - 8 38 0.2000 3 0.3900 - 9 16 0.1100 2 0.3200 - 10 8 0.0600 1 0.1900 - 10 16 0.1200 2 0.3900 - 10 10 0.0400 1 0.1600 - 10 14 0.0600 2 0.2700 - 11 6 0.0200 1 0.1500 - 12 4 0.0200 1 0.1700 - 12 16 0.1100 2 0.3500 - 13 2 0.0200 1 0.1900 - 13 14 0.1100 2 0.3800 - 14 4 0.0300 1 0.2200 - 14 8 0.0600 1 0.2100 - 14 1241 9.2600 38 8.0000 - 25 18 0.2700 1 0.4400 - 33 24 0.4900 2 1.2200 - 34 6 0.1200 1 0.6300 - 36 4 0.0900 1 0.6800 - 39 14 0.3800 2 1.4800 - 41 2 0.0800 1 0.8400 - 42 2 0.0800 1 1.2200 + 8 38 0.0400 3 0.2100 + 9 16 0.0300 2 0.1800 + 10 8 0.0300 1 0.1000 + 10 16 0.0500 2 0.2200 + 10 10 0.0200 1 0.1100 + 10 14 0.0300 2 0.2200 + 10 16 0.0500 2 0.2100 + 10 14 0.0300 2 0.2200 + 10 8 0.0300 1 0.1000 + 10 41 0.1200 3 0.3100 + 17 37 0.1100 3 0.4800 + 25 26 0.1500 2 0.4900 + 28 11 0.0700 1 0.2800 + 29 11 0.0600 1 0.2900 + 30 6 0.0300 1 0.3100 + 32 6 0.0500 1 0.3300 + 33 4 0.0200 1 0.3500 + 34 2 0.0000 1 0.3600