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 28aa8a238..7b499427c 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 -1.39247e-26 -1.00367e-27 - H 6.99708e-36 2.52168e-37 -7.348 - O 6.27033e-26 3.58701e-26 22.4934 + 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 O2 0.193727 0.221647 -26.3149 - OH 4.03747e-28 2.45519e-28 -69.4009 - H2O -1.31058e-25 -8.44198e-26 - HO2 -7.38828e-26 -8.71936e-26 - H2O2 1.47055e-26 1.78848e-26 -142.164 - C 9.7717e-51 4.1965e-51 153.154 - CH 5.49579e-57 2.55826e-57 87.9186 - CH2 5.47598e-40 2.74639e-40 43.5033 - CH2(S) 2.8441e-41 1.42641e-41 56.2277 - CH3 -2.53586e-25 -1.36321e-25 + 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 CH4 0.0774913 0.0444499 -54.8803 - CO -5.06019e-25 -5.06786e-25 - CO2 -1.19731e-26 -1.88405e-26 - HCO -3.21166e-46 -3.33227e-46 - CH2O -1.93659e-26 -2.07911e-26 - CH2OH 2.49106e-44 2.76416e-44 -135.602 - CH3O 6.23777e-41 6.92163e-41 -113.519 - CH3OH -3.00319e-25 -3.44067e-25 - C2H -2.05809e-60 -1.84188e-60 - C2H2 1.92734e-27 1.79433e-27 5.80845 - C2H3 -1.03178e-56 -9.97759e-57 - C2H4 1.09158e-33 1.09493e-33 -81.2284 - C2H5 2.10344e-43 2.18569e-43 -80.4182 - C2H6 1.26434e-25 1.35935e-25 -118.515 - HCCO 5.01827e-53 7.36185e-53 -78.9701 - CH2CO 6.85692e-40 1.03063e-39 -138.394 - HCCOH 1.529e-46 2.29816e-46 -102.429 - N 1.48958e-62 7.45998e-63 28.7005 - NH -1.18909e-61 -6.38363e-62 - NH2 7.00357e-65 4.01228e-65 -94.18 - NH3 6.52586e-75 3.97379e-75 -212.404 - NNH 1.55782e-45 1.6165e-45 -30.1419 - NO 1.55384e-47 1.66707e-47 -96.5388 - NO2 1.58296e-59 2.60387e-59 -150.571 - N2O 4.16806e-32 6.55922e-32 -66.0023 - HNO 1.02925e-51 1.14134e-51 -101.373 - CN -2.16929e-76 -2.01802e-76 - HCN -2.28397e-57 -2.20701e-57 - H2CN 5.97323e-58 5.98724e-58 -59.5761 - HCNN 2.00387e-57 2.93992e-57 24.6336 - HCNO 2.71425e-67 4.17552e-67 -113.895 - HOCN 2.80322e-77 4.31237e-77 -210.119 - HNCO -2.67855e-58 -4.12059e-58 - NCO 3.49931e-51 5.25711e-51 -91.2905 + 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 N2 0.719557 0.720727 -23.3621 AR 0.00922509 0.0131766 -23.2957 - C3H7 -4.67463e-49 -7.20191e-49 - C3H8 4.59173e-43 7.23968e-43 -171.618 - CH2CHO -3.82399e-55 -5.88546e-55 - CH3CHO -2.03875e-42 -3.21128e-42 + 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