diff --git a/test_problems/ChemEquil_ionizedGas/output_blessed.txt b/test_problems/ChemEquil_ionizedGas/output_blessed.txt index efe6c770a..1e47c0f74 100644 --- a/test_problems/ChemEquil_ionizedGas/output_blessed.txt +++ b/test_problems/ChemEquil_ionizedGas/output_blessed.txt @@ -1,234 +1,234 @@ -Initial T = 207.284, pres = 5.8944e-09 atm +Initial T = 207.283, pres = 5.89439e-09 atm air_below6000K: - temperature 207.284 K - pressure 0.00059725 Pa + temperature 207.283 K + pressure 0.000597249 Pa density 1e-08 kg/m^3 mean mol. weight 28.8565 amu 1 kg 1 kmol ----------- ------------ - enthalpy -91746.4 -2.647e+06 J + enthalpy -91746.5 -2.647e+06 J internal energy -151471 -4.371e+06 J - entropy 11980.9 3.457e+05 J/K + entropy 11980.8 3.457e+05 J/K Gibbs function -2.57518e+06 -7.431e+07 J heat capacity c_p 1009.36 2.913e+04 J/K - heat capacity c_v 721.23 2.081e+04 J/K + heat capacity c_v 721.229 2.081e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.78847 0.765436 -42.4943 O2 0.21153 0.234564 -45.4397 - N 9.55809e-113 4.63943e-113 -21.2471 - O 1.18094e-56 6.54771e-57 -22.7198 - NO 1.82556e-23 1.89829e-23 -43.967 - NO+ 2.10507e-228 2.18889e-228 7.59468 - Electron 2.10507e-228 3.97575e-233 -545.901 + N 9.55489e-113 4.63788e-113 -21.2471 + O 1.18074e-56 6.54656e-57 -22.7198 + NO 1.82545e-23 1.89817e-23 -43.967 + NO+ 2.10356e-228 2.18733e-228 7.59466 + Electron 2.10356e-228 3.97291e-233 -545.901 N+ 0 0 O+ 0 0 N2+ 0 0 - O2+ 2.81229e-274 3.11847e-274 6.12199 + O2+ 2.80992e-274 3.11585e-274 6.12197 -Final T = 207.284, pres = 5.8944e-09 atm -Initial T = 207.284, pres = 5.8944e-08 atm +Final T = 207.283, pres = 5.89439e-09 atm +Initial T = 207.283, pres = 5.89439e-08 atm air_below6000K: - temperature 207.284 K - pressure 0.0059725 Pa + temperature 207.283 K + pressure 0.00597249 Pa density 1e-07 kg/m^3 mean mol. weight 28.8565 amu 1 kg 1 kmol ----------- ------------ - enthalpy -91746.4 -2.647e+06 J + enthalpy -91746.5 -2.647e+06 J internal energy -151471 -4.371e+06 J entropy 11317.4 3.266e+05 J/K - Gibbs function -2.43766e+06 -7.034e+07 J + Gibbs function -2.43765e+06 -7.034e+07 J heat capacity c_p 1009.36 2.913e+04 J/K - heat capacity c_v 721.23 2.081e+04 J/K + heat capacity c_v 721.229 2.081e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.78847 0.765436 -40.1917 O2 0.21153 0.234564 -43.1371 - N 3.02253e-113 1.46712e-113 -20.0958 - O 3.73447e-57 2.07057e-57 -21.5685 - NO 1.82556e-23 1.89829e-23 -41.6644 - NO+ 1.89425e-229 1.96968e-229 7.48915 - Electron 1.89425e-229 3.57759e-234 -546.006 + N 3.02152e-113 1.46663e-113 -20.0959 + O 3.73382e-57 2.0702e-57 -21.5685 + NO 1.82545e-23 1.89817e-23 -41.6644 + NO+ 1.89281e-229 1.96818e-229 7.48909 + Electron 1.89281e-229 3.57487e-234 -546.007 N+ 0 0 O+ 0 0 N2+ 0 0 - O2+ 2.53064e-275 2.80617e-275 6.01646 + O2+ 2.52839e-275 2.80367e-275 6.0164 -Final T = 207.284, pres = 5.8944e-08 atm -Initial T = 207.284, pres = 5.8944e-07 atm +Final T = 207.283, pres = 5.89439e-08 atm +Initial T = 207.283, pres = 5.89439e-07 atm air_below6000K: - temperature 207.284 K - pressure 0.059725 Pa + temperature 207.283 K + pressure 0.0597249 Pa density 1e-06 kg/m^3 mean mol. weight 28.8565 amu 1 kg 1 kmol ----------- ------------ - enthalpy -91746.4 -2.647e+06 J + enthalpy -91746.5 -2.647e+06 J internal energy -151471 -4.371e+06 J - entropy 10654 3.074e+05 J/K - Gibbs function -2.30014e+06 -6.637e+07 J + entropy 10653.9 3.074e+05 J/K + Gibbs function -2.30013e+06 -6.637e+07 J heat capacity c_p 1009.36 2.913e+04 J/K - heat capacity c_v 721.23 2.081e+04 J/K + heat capacity c_v 721.229 2.081e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.78847 0.765436 -37.8891 O2 0.21153 0.234564 -40.8345 - N 9.55809e-114 4.63943e-114 -18.9446 - O 1.18094e-57 6.54771e-58 -20.4172 - NO 1.82556e-23 1.89829e-23 -39.3618 - NO+ 2.37889e-230 2.47362e-230 7.71696 - Electron 2.37889e-230 4.4929e-235 -545.778 + N 9.55489e-114 4.63788e-114 -18.9446 + O 1.18074e-57 6.54656e-58 -20.4172 + NO 1.82545e-23 1.89817e-23 -39.3618 + NO+ 2.37697e-230 2.47162e-230 7.71685 + Electron 2.37697e-230 4.48927e-235 -545.779 N+ 0 0 O+ 0 0 N2+ 0 0 - O2+ 3.1781e-276 3.52411e-276 6.24427 + O2+ 3.17512e-276 3.52082e-276 6.24416 -Final T = 207.284, pres = 5.8944e-07 atm -Initial T = 207.284, pres = 5.8944e-06 atm +Final T = 207.283, pres = 5.89439e-07 atm +Initial T = 207.283, pres = 5.89439e-06 atm air_below6000K: - temperature 207.284 K - pressure 0.59725 Pa + temperature 207.283 K + pressure 0.597249 Pa density 1e-05 kg/m^3 mean mol. weight 28.8565 amu 1 kg 1 kmol ----------- ------------ - enthalpy -91746.4 -2.647e+06 J + enthalpy -91746.5 -2.647e+06 J internal energy -151471 -4.371e+06 J - entropy 9990.51 2.883e+05 J/K - Gibbs function -2.16262e+06 -6.241e+07 J + entropy 9990.5 2.883e+05 J/K + Gibbs function -2.16261e+06 -6.241e+07 J heat capacity c_p 1009.36 2.913e+04 J/K - heat capacity c_v 721.23 2.081e+04 J/K + heat capacity c_v 721.229 2.081e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.78847 0.765436 -35.5865 O2 0.21153 0.234564 -38.5319 - N 3.02253e-114 1.46712e-114 -17.7933 - O 3.73447e-58 2.07057e-58 -19.266 - NO 1.82556e-23 1.89829e-23 -37.0592 - NO+ 2.14065e-231 2.22589e-231 7.61144 - Electron 2.14065e-231 4.04295e-236 -545.884 + N 3.02152e-114 1.46663e-114 -17.7933 + O 3.73382e-58 2.0702e-58 -19.266 + NO 1.82545e-23 1.89817e-23 -37.0592 + NO+ 2.13882e-231 2.22399e-231 7.61128 + Electron 2.13882e-231 4.03949e-236 -545.885 N+ 0 0 O+ 0 0 N2+ 0 0 - O2+ 2.85982e-277 3.17118e-277 6.13875 + O2+ 2.85701e-277 3.16807e-277 6.13859 -Final T = 207.284, pres = 5.8944e-06 atm -Initial T = 207.284, pres = 5.8944e-05 atm +Final T = 207.283, pres = 5.89439e-06 atm +Initial T = 207.283, pres = 5.89439e-05 atm air_below6000K: - temperature 207.284 K - pressure 5.9725 Pa + temperature 207.283 K + pressure 5.97249 Pa density 0.0001 kg/m^3 mean mol. weight 28.8565 amu 1 kg 1 kmol ----------- ------------ - enthalpy -91746.4 -2.647e+06 J + enthalpy -91746.5 -2.647e+06 J internal energy -151471 -4.371e+06 J - entropy 9327.06 2.691e+05 J/K + entropy 9327.05 2.691e+05 J/K Gibbs function -2.02509e+06 -5.844e+07 J heat capacity c_p 1009.36 2.913e+04 J/K - heat capacity c_v 721.23 2.081e+04 J/K + heat capacity c_v 721.229 2.081e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.78847 0.765436 -33.2839 O2 0.21153 0.234564 -36.2293 - N 9.55809e-115 4.63943e-115 -16.642 - O 1.18094e-58 6.54771e-59 -18.1147 - NO 1.82556e-23 1.89829e-23 -34.7566 - NO+ 1.92627e-232 2.00297e-232 7.50591 - Electron 1.92627e-232 3.63806e-237 -545.99 + N 9.55489e-115 4.63788e-115 -16.642 + O 1.18074e-58 6.54656e-59 -18.1147 + NO 1.82545e-23 1.89817e-23 -34.7566 + NO+ 1.92453e-232 2.00117e-232 7.50571 + Electron 1.92453e-232 3.63478e-237 -545.99 N+ 0 0 O+ 0 0 N2+ 0 0 - O2+ 2.57342e-278 2.8536e-278 6.03322 + O2+ 2.57077e-278 2.85066e-278 6.03302 -Final T = 207.284, pres = 5.8944e-05 atm -Initial T = 207.284, pres = 0.00058944 atm +Final T = 207.283, pres = 5.89439e-05 atm +Initial T = 207.283, pres = 0.000589439 atm air_below6000K: - temperature 207.284 K - pressure 59.725 Pa + temperature 207.283 K + pressure 59.7249 Pa density 0.001 kg/m^3 mean mol. weight 28.8565 amu 1 kg 1 kmol ----------- ------------ - enthalpy -91746.4 -2.647e+06 J + enthalpy -91746.5 -2.647e+06 J internal energy -151471 -4.371e+06 J - entropy 8663.62 2.5e+05 J/K + entropy 8663.6 2.5e+05 J/K Gibbs function -1.88757e+06 -5.447e+07 J heat capacity c_p 1009.36 2.913e+04 J/K - heat capacity c_v 721.23 2.081e+04 J/K + heat capacity c_v 721.229 2.081e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.78847 0.765436 -30.9814 O2 0.21153 0.234564 -33.9267 - N 3.02253e-115 1.46712e-115 -15.4907 - O 3.73447e-59 2.07057e-59 -16.9634 - NO 1.82556e-23 1.89829e-23 -32.454 - NO+ 1.73336e-233 1.80238e-233 7.40039 - Electron 1.73336e-233 3.27371e-238 -546.095 + N 3.02152e-115 1.46663e-115 -15.4907 + O 3.73382e-59 2.0702e-59 -16.9634 + NO 1.82545e-23 1.89817e-23 -32.454 + NO+ 1.73171e-233 1.80067e-233 7.40014 + Electron 1.73171e-233 3.27061e-238 -546.096 N+ 0 0 O+ 0 0 N2+ 0 0 - O2+ 2.3157e-279 2.56782e-279 5.9277 + O2+ 2.3132e-279 2.56505e-279 5.92745 -Final T = 207.284, pres = 0.00058944 atm -Initial T = 207.284, pres = 0.0058944 atm +Final T = 207.283, pres = 0.000589439 atm +Initial T = 207.283, pres = 0.00589439 atm air_below6000K: - temperature 207.284 K - pressure 597.25 Pa + temperature 207.283 K + pressure 597.249 Pa density 0.01 kg/m^3 mean mol. weight 28.8565 amu 1 kg 1 kmol ----------- ------------ - enthalpy -91746.4 -2.647e+06 J + enthalpy -91746.5 -2.647e+06 J internal energy -151471 -4.371e+06 J - entropy 8000.17 2.309e+05 J/K + entropy 8000.16 2.309e+05 J/K Gibbs function -1.75005e+06 -5.05e+07 J heat capacity c_p 1009.36 2.913e+04 J/K - heat capacity c_v 721.23 2.081e+04 J/K + heat capacity c_v 721.229 2.081e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.78847 0.765436 -28.6788 O2 0.21153 0.234564 -31.6242 - N 9.55809e-116 4.63943e-116 -14.3394 - O 1.18094e-59 6.54771e-60 -15.8121 - NO 1.82556e-23 1.89829e-23 -30.1515 - NO+ 2.17683e-234 2.26351e-234 7.6282 - Electron 2.17683e-234 4.11128e-239 -545.867 + N 9.55489e-116 4.63788e-116 -14.3394 + O 1.18074e-59 6.54656e-60 -15.8121 + NO 1.82545e-23 1.89817e-23 -30.1515 + NO+ 2.17466e-234 2.26126e-234 7.6279 + Electron 2.17466e-234 4.10719e-239 -545.868 N+ 0 0 O+ 0 0 N2+ 0 0 - O2+ 2.90816e-280 3.22478e-280 6.15551 + O2+ 2.90489e-280 3.22116e-280 6.15521 -Final T = 207.284, pres = 0.0058944 atm +Final T = 207.283, pres = 0.00589439 atm Initial T = 414.143, pres = 1.17767e-08 atm air_below6000K: @@ -243,9 +243,9 @@ Initial T = 414.143, pres = 1.17767e-08 atm enthalpy 117856 3.401e+06 J internal energy -1471.39 -4.246e+04 J entropy 12482.2 3.602e+05 J/K - Gibbs function -5.05158e+06 -1.458e+08 J + Gibbs function -5.05157e+06 -1.458e+08 J heat capacity c_p 1022.57 2.951e+04 J/K - heat capacity c_v 734.438 2.119e+04 J/K + heat capacity c_v 734.437 2.119e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ @@ -253,13 +253,13 @@ Initial T = 414.143, pres = 1.17767e-08 atm O2 0.21153 0.234564 -44.6571 N 2.06855e-53 1.00406e-53 -20.8551 O 1.8737e-25 1.03887e-25 -22.3285 - NO 5.58575e-12 5.80828e-12 -43.1837 - NO+ 1.18426e-103 1.23142e-103 8.47476 - Electron 1.18426e-103 2.23665e-108 -257.895 - N+ 2.11879e-208 1.0284e-208 30.8033 - O+ 8.95614e-170 4.96554e-170 29.3299 - N2+ 1.83228e-168 1.77872e-168 9.94816 - O2+ 9.54795e-127 1.05875e-126 7.00135 + NO 5.58574e-12 5.80828e-12 -43.1837 + NO+ 1.18328e-103 1.2304e-103 8.47393 + Electron 1.18328e-103 2.23481e-108 -257.896 + N+ 2.11704e-208 1.02756e-208 30.8025 + O+ 8.94877e-170 4.96145e-170 29.3291 + N2+ 1.83077e-168 1.77725e-168 9.94734 + O2+ 9.54009e-127 1.05788e-126 7.00053 Final T = 414.143, pres = 1.17767e-08 atm Initial T = 414.143, pres = 1.17767e-07 atm @@ -278,7 +278,7 @@ Initial T = 414.143, pres = 1.17767e-07 atm entropy 11818.8 3.41e+05 J/K Gibbs function -4.77681e+06 -1.378e+08 J heat capacity c_p 1022.57 2.951e+04 J/K - heat capacity c_v 734.438 2.119e+04 J/K + heat capacity c_v 734.437 2.119e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ @@ -286,13 +286,13 @@ Initial T = 414.143, pres = 1.17767e-07 atm O2 0.21153 0.234564 -42.3545 N 6.54134e-54 3.17512e-54 -19.7038 O 5.92517e-26 3.28519e-26 -21.1772 - NO 5.58575e-12 5.80828e-12 -40.8811 - NO+ 7.31705e-104 7.60843e-104 10.2958 - Electron 7.31705e-104 1.38194e-108 -256.074 - N+ 4.13978e-209 2.00934e-209 31.4731 - O+ 1.74989e-170 9.7019e-171 29.9997 - N2+ 1.13209e-168 1.099e-168 11.7693 - O2+ 5.8993e-127 6.54159e-127 8.82245 + NO 5.58574e-12 5.80828e-12 -40.8811 + NO+ 7.31103e-104 7.60217e-104 10.295 + Electron 7.31103e-104 1.3808e-108 -256.075 + N+ 4.13637e-209 2.00769e-209 31.4723 + O+ 1.74845e-170 9.69391e-171 29.9989 + N2+ 1.13116e-168 1.09809e-168 11.7684 + O2+ 5.89445e-127 6.53621e-127 8.82162 Final T = 414.143, pres = 1.17767e-07 atm Initial T = 414.143, pres = 1.17767e-06 atm @@ -311,7 +311,7 @@ Initial T = 414.143, pres = 1.17767e-06 atm entropy 11155.3 3.219e+05 J/K Gibbs function -4.50205e+06 -1.299e+08 J heat capacity c_p 1022.57 2.951e+04 J/K - heat capacity c_v 734.438 2.119e+04 J/K + heat capacity c_v 734.437 2.119e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ @@ -319,13 +319,13 @@ Initial T = 414.143, pres = 1.17767e-06 atm O2 0.21153 0.234564 -40.0519 N 2.06855e-54 1.00406e-54 -18.5525 O 1.8737e-26 1.03887e-26 -20.026 - NO 5.58575e-12 5.80828e-12 -38.5785 - NO+ 4.52092e-104 4.70095e-104 12.1169 - Electron 4.52092e-104 8.53846e-109 -254.253 - N+ 8.0885e-210 3.92595e-210 32.1429 - O+ 3.41902e-171 1.8956e-171 30.6695 - N2+ 6.99476e-169 6.79029e-169 13.5903 - O2+ 3.64494e-127 4.04179e-127 10.6435 + NO 5.58574e-12 5.80828e-12 -38.5785 + NO+ 4.5172e-104 4.69708e-104 12.1161 + Electron 4.5172e-104 8.53144e-109 -254.254 + N+ 8.08184e-210 3.92271e-210 32.1421 + O+ 3.41621e-171 1.89404e-171 30.6687 + N2+ 6.98901e-169 6.7847e-169 13.5895 + O2+ 3.64195e-127 4.03846e-127 10.6427 Final T = 414.143, pres = 1.17767e-06 atm Initial T = 414.143, pres = 1.17767e-05 atm @@ -342,9 +342,9 @@ Initial T = 414.143, pres = 1.17767e-05 atm enthalpy 117856 3.401e+06 J internal energy -1471.39 -4.246e+04 J entropy 10491.9 3.028e+05 J/K - Gibbs function -4.22729e+06 -1.22e+08 J + Gibbs function -4.22728e+06 -1.22e+08 J heat capacity c_p 1022.57 2.951e+04 J/K - heat capacity c_v 734.438 2.119e+04 J/K + heat capacity c_v 734.437 2.119e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ @@ -352,13 +352,13 @@ Initial T = 414.143, pres = 1.17767e-05 atm O2 0.21153 0.234564 -37.7493 N 6.54134e-55 3.17512e-55 -17.4013 O 5.92517e-27 3.28519e-27 -18.8747 - NO 5.58575e-12 5.80828e-12 -36.2759 - NO+ 2.7933e-104 2.90453e-104 13.938 - Electron 2.7933e-104 5.27558e-109 -252.432 - N+ 1.58037e-210 7.6707e-211 32.8127 - O+ 6.68024e-172 3.70371e-172 31.3393 - N2+ 4.32179e-169 4.19545e-169 15.4114 - O2+ 2.25207e-127 2.49726e-127 12.4646 + NO 5.58574e-12 5.80828e-12 -36.2759 + NO+ 2.791e-104 2.90214e-104 13.9372 + Electron 2.791e-104 5.27124e-109 -252.432 + N+ 1.57907e-210 7.66438e-211 32.8119 + O+ 6.67475e-172 3.70067e-172 31.3385 + N2+ 4.31823e-169 4.192e-169 15.4106 + O2+ 2.25021e-127 2.49521e-127 12.4638 Final T = 414.143, pres = 1.17767e-05 atm Initial T = 414.143, pres = 0.000117767 atm @@ -374,10 +374,10 @@ Initial T = 414.143, pres = 0.000117767 atm ----------- ------------ enthalpy 117856 3.401e+06 J internal energy -1471.39 -4.246e+04 J - entropy 9828.44 2.836e+05 J/K - Gibbs function -3.95253e+06 -1.141e+08 J + entropy 9828.43 2.836e+05 J/K + Gibbs function -3.95252e+06 -1.141e+08 J heat capacity c_p 1022.57 2.951e+04 J/K - heat capacity c_v 734.438 2.119e+04 J/K + heat capacity c_v 734.437 2.119e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ @@ -385,13 +385,13 @@ Initial T = 414.143, pres = 0.000117767 atm O2 0.21153 0.234564 -35.4467 N 2.06855e-55 1.00406e-55 -16.25 O 1.8737e-27 1.03887e-27 -17.7234 - NO 5.58575e-12 5.80828e-12 -33.9733 - NO+ 1.72587e-104 1.79459e-104 15.7591 - Electron 1.72587e-104 3.25957e-109 -250.611 - N+ 3.0878e-211 1.49874e-211 33.4825 - O+ 1.30522e-172 7.23649e-173 32.0091 - N2+ 2.67026e-169 2.5922e-169 17.2325 - O2+ 1.39146e-127 1.54296e-127 14.2857 + NO 5.58574e-12 5.80828e-12 -33.9733 + NO+ 1.72445e-104 1.79312e-104 15.7583 + Electron 1.72445e-104 3.25689e-109 -250.611 + N+ 3.08525e-211 1.4975e-211 33.4817 + O+ 1.30414e-172 7.23054e-173 32.0083 + N2+ 2.66806e-169 2.59007e-169 17.2317 + O2+ 1.39032e-127 1.54169e-127 14.2849 Final T = 414.143, pres = 0.000117767 atm Initial T = 414.143, pres = 0.00117767 atm @@ -407,10 +407,10 @@ Initial T = 414.143, pres = 0.00117767 atm ----------- ------------ enthalpy 117856 3.401e+06 J internal energy -1471.39 -4.246e+04 J - entropy 9165 2.645e+05 J/K + entropy 9164.98 2.645e+05 J/K Gibbs function -3.67776e+06 -1.061e+08 J heat capacity c_p 1022.57 2.951e+04 J/K - heat capacity c_v 734.438 2.119e+04 J/K + heat capacity c_v 734.437 2.119e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ @@ -418,13 +418,13 @@ Initial T = 414.143, pres = 0.00117767 atm O2 0.21153 0.234564 -33.1441 N 6.54134e-56 3.17512e-56 -15.0987 O 5.92517e-28 3.28519e-28 -16.5721 - NO 5.58575e-12 5.80828e-12 -31.6707 - NO+ 1.06635e-104 1.10881e-104 17.5802 - Electron 1.06635e-104 2.01396e-109 -248.789 - N+ 6.03308e-212 2.9283e-212 34.1523 - O+ 2.55019e-173 1.4139e-173 32.6789 - N2+ 1.64985e-169 1.60162e-169 19.0536 - O2+ 8.5973e-128 9.53334e-128 16.1068 + NO 5.58574e-12 5.80828e-12 -31.6707 + NO+ 1.06547e-104 1.1079e-104 17.5794 + Electron 1.06547e-104 2.0123e-109 -248.79 + N+ 6.02811e-212 2.92589e-212 34.1515 + O+ 2.5481e-173 1.41274e-173 32.6781 + N2+ 1.64849e-169 1.6003e-169 19.0528 + O2+ 8.59023e-128 9.52549e-128 16.106 Final T = 414.143, pres = 0.00117767 atm Initial T = 414.143, pres = 0.0117767 atm @@ -440,10 +440,10 @@ Initial T = 414.143, pres = 0.0117767 atm ----------- ------------ enthalpy 117856 3.401e+06 J internal energy -1471.39 -4.246e+04 J - entropy 8501.55 2.453e+05 J/K + entropy 8501.54 2.453e+05 J/K Gibbs function -3.403e+06 -9.82e+07 J heat capacity c_p 1022.57 2.951e+04 J/K - heat capacity c_v 734.438 2.119e+04 J/K + heat capacity c_v 734.437 2.119e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ @@ -451,20 +451,20 @@ Initial T = 414.143, pres = 0.0117767 atm O2 0.21153 0.234564 -30.8416 N 2.06855e-56 1.00406e-56 -13.9474 O 1.8737e-28 1.03887e-28 -15.4208 - NO 5.58575e-12 5.80828e-12 -29.3682 - NO+ 6.58853e-105 6.85089e-105 19.4013 - Electron 6.58853e-105 1.24435e-109 -246.968 - N+ 1.17877e-212 5.72145e-213 34.8221 - O+ 4.98269e-174 2.76254e-174 33.3487 - N2+ 1.01938e-169 9.89578e-170 20.8747 - O2+ 5.31194e-128 5.89027e-128 17.9279 + NO 5.58574e-12 5.80828e-12 -29.3682 + NO+ 6.58311e-105 6.84526e-105 19.4005 + Electron 6.58311e-105 1.24332e-109 -246.969 + N+ 1.1778e-212 5.71674e-213 34.8213 + O+ 4.97859e-174 2.76027e-174 33.3479 + N2+ 1.01854e-169 9.88763e-170 20.8739 + O2+ 5.30756e-128 5.88543e-128 17.9271 Final T = 414.143, pres = 0.0117767 atm Initial T = 1153.16, pres = 3.27918e-08 atm air_below6000K: - temperature 1152.46 K + temperature 1152.47 K pressure 0.00332065 Pa density 1e-08 kg/m^3 mean mol. weight 28.8562 amu @@ -476,29 +476,29 @@ Initial T = 1153.16, pres = 3.27918e-08 atm entropy 13299.8 3.838e+05 J/K Gibbs function -1.43969e+07 -4.154e+08 J heat capacity c_p 1172.94 3.385e+04 J/K - heat capacity c_v 884.81 2.553e+04 J/K + heat capacity c_v 884.809 2.553e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.788394 0.76537 -42.7126 O2 0.211449 0.234477 -45.755 - N 2.86312e-15 1.38975e-15 -21.3563 - O 2.23425e-05 1.23879e-05 -22.8775 - NO 0.000134494 0.000139854 -44.2338 - NO+ 9.19996e-24 9.56642e-24 7.08807 - Electron 9.19996e-24 1.73757e-28 -74.3227 - N+ 1.62751e-56 7.8996e-57 29.9656 - O+ 3.109e-43 1.72374e-43 28.4444 - N2+ 1.23423e-46 1.19817e-46 8.60924 - O2+ 3.28303e-32 3.64051e-32 5.5669 + N 2.86322e-15 1.3898e-15 -21.3563 + O 2.23429e-05 1.23881e-05 -22.8775 + NO 0.000134495 0.000139855 -44.2338 + NO+ 9.19182e-24 9.55796e-24 7.08711 + Electron 9.19182e-24 1.73604e-28 -74.3236 + N+ 1.62618e-56 7.89313e-57 29.9646 + O+ 3.10638e-43 1.72229e-43 28.4434 + N2+ 1.23319e-46 1.19715e-46 8.60828 + O2+ 3.28017e-32 3.63734e-32 5.56594 -Final T = 1152.46, pres = 3.27723e-08 atm -Initial T = 1152.46, pres = 3.27723e-07 atm +Final T = 1152.47, pres = 3.27723e-08 atm +Initial T = 1152.47, pres = 3.27723e-07 atm air_below6000K: temperature 1152.61 K - pressure 0.0332106 Pa + pressure 0.0332105 Pa density 1e-07 kg/m^3 mean mol. weight 28.8564 amu @@ -507,26 +507,26 @@ Initial T = 1152.46, pres = 3.27723e-07 atm enthalpy 930634 2.685e+07 J internal energy 598529 1.727e+07 J entropy 12636.3 3.646e+05 J/K - Gibbs function -1.36342e+07 -3.934e+08 J - heat capacity c_p 1172.97 3.385e+04 J/K + Gibbs function -1.36341e+07 -3.934e+08 J + heat capacity c_p 1172.96 3.385e+04 J/K heat capacity c_v 884.832 2.553e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.7884 0.76537 -40.4103 O2 0.211458 0.234486 -43.4526 - N 9.11146e-16 4.42265e-16 -20.2051 - O 7.08903e-06 3.93051e-06 -21.7263 - NO 0.000134663 0.000140028 -41.9314 - NO+ 2.46677e-23 2.56501e-23 10.3635 - Electron 2.46677e-23 4.6589e-28 -71.034 - N+ 1.39651e-56 6.7783e-57 32.0898 - O+ 2.65657e-43 1.47288e-43 30.5686 - N2+ 3.33238e-46 3.23497e-46 11.8846 - O2+ 8.8243e-32 9.78509e-32 8.8423 + N 9.11178e-16 4.42281e-16 -20.2051 + O 7.08916e-06 3.93058e-06 -21.7263 + NO 0.000134663 0.000140029 -41.9314 + NO+ 2.46459e-23 2.56275e-23 10.3625 + Electron 2.46459e-23 4.65479e-28 -71.0349 + N+ 1.39537e-56 6.77277e-57 32.0888 + O+ 2.65434e-43 1.47165e-43 30.5676 + N2+ 3.32956e-46 3.23224e-46 11.8837 + O2+ 8.81663e-32 9.77658e-32 8.84134 -Final T = 1152.61, pres = 3.27763e-07 atm -Initial T = 1152.61, pres = 3.27763e-06 atm +Final T = 1152.61, pres = 3.27762e-07 atm +Initial T = 1152.61, pres = 3.27762e-06 atm air_below6000K: @@ -542,28 +542,28 @@ Initial T = 1152.61, pres = 3.27763e-06 atm entropy 11972.9 3.455e+05 J/K Gibbs function -1.287e+07 -3.714e+08 J heat capacity c_p 1172.97 3.385e+04 J/K - heat capacity c_v 884.84 2.553e+04 J/K + heat capacity c_v 884.839 2.553e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.788402 0.76537 -38.1078 O2 0.211461 0.234488 -41.1501 - N 2.88709e-16 1.40138e-16 -19.0539 - O 2.24413e-06 1.24425e-06 -20.575 - NO 0.000134716 0.000140083 -39.6289 - NO+ 6.55509e-23 6.81613e-23 13.6391 - Electron 6.55509e-23 1.23803e-27 -67.7541 - N+ 1.17797e-56 5.71759e-57 34.2141 - O+ 2.23788e-43 1.24075e-43 32.693 - N2+ 8.87483e-46 8.61541e-46 15.1603 - O2+ 2.34675e-31 2.60226e-31 12.1179 + N 2.8872e-16 1.40143e-16 -19.0539 + O 2.24418e-06 1.24428e-06 -20.575 + NO 0.000134717 0.000140084 -39.6289 + NO+ 6.5493e-23 6.81011e-23 13.6381 + Electron 6.5493e-23 1.23694e-27 -67.755 + N+ 1.17701e-56 5.71292e-57 34.2132 + O+ 2.236e-43 1.2397e-43 32.692 + N2+ 8.86734e-46 8.60813e-46 15.1593 + O2+ 2.34471e-31 2.6e-31 12.117 Final T = 1152.66, pres = 3.27775e-06 atm Initial T = 1152.66, pres = 3.27775e-05 atm air_below6000K: - temperature 1152.67 K + temperature 1152.68 K pressure 3.32122 Pa density 1e-05 kg/m^3 mean mol. weight 28.8565 amu @@ -572,32 +572,32 @@ Initial T = 1152.66, pres = 3.27775e-05 atm ----------- ------------ enthalpy 930651 2.686e+07 J internal energy 598529 1.727e+07 J - entropy 11309.4 3.264e+05 J/K + entropy 11309.4 3.263e+05 J/K Gibbs function -1.21054e+07 -3.493e+08 J heat capacity c_p 1172.97 3.385e+04 J/K - heat capacity c_v 884.842 2.553e+04 J/K + heat capacity c_v 884.841 2.553e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.788402 0.76537 -35.8052 O2 0.211462 0.234489 -38.8475 - N 9.1356e-17 4.43436e-17 -17.9026 - O 7.09896e-07 3.936e-07 -19.4238 - NO 0.000134733 0.000140101 -37.3264 - NO+ 1.73694e-22 1.80611e-22 16.9148 - Electron 1.73694e-22 3.28048e-27 -64.4771 - N+ 9.8824e-57 4.79666e-57 36.3385 - O+ 1.87664e-43 1.04046e-43 34.8174 - N2+ 2.35326e-45 2.28446e-45 18.4359 - O2+ 6.21985e-31 6.89704e-31 15.3936 + N 9.13593e-17 4.43452e-17 -17.9026 + O 7.0991e-07 3.93608e-07 -19.4238 + NO 0.000134734 0.000140102 -37.3264 + NO+ 1.73541e-22 1.80451e-22 16.9138 + Electron 1.73541e-22 3.27759e-27 -64.4779 + N+ 9.87434e-57 4.79275e-57 36.3376 + O+ 1.87507e-43 1.03959e-43 34.8164 + N2+ 2.35127e-45 2.28254e-45 18.435 + O2+ 6.21445e-31 6.89105e-31 15.3927 -Final T = 1152.67, pres = 3.27779e-05 atm -Initial T = 1152.67, pres = 0.000327779 atm +Final T = 1152.68, pres = 3.27779e-05 atm +Initial T = 1152.68, pres = 0.000327779 atm air_below6000K: temperature 1152.68 K - pressure 33.2124 Pa + pressure 33.2123 Pa density 0.0001 kg/m^3 mean mol. weight 28.8565 amu @@ -608,21 +608,21 @@ Initial T = 1152.67, pres = 0.000327779 atm entropy 10646 3.072e+05 J/K Gibbs function -1.13407e+07 -3.273e+08 J heat capacity c_p 1172.97 3.385e+04 J/K - heat capacity c_v 884.843 2.553e+04 J/K + heat capacity c_v 884.842 2.553e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.788403 0.76537 -33.5026 O2 0.211462 0.23449 -36.5449 - N 2.88951e-17 1.40255e-17 -16.7513 - O 2.24513e-07 1.24481e-07 -18.2725 - NO 0.000134738 0.000140106 -35.0238 - NO+ 4.59472e-22 4.77769e-22 20.1897 - Electron 4.59472e-22 8.67784e-27 -61.2017 - N+ 8.26992e-57 4.01401e-57 38.4622 - O+ 1.57022e-43 8.70577e-44 36.941 - N2+ 6.22643e-45 6.04442e-45 21.7109 - O2+ 1.64546e-30 1.82461e-30 18.6686 + N 2.88962e-17 1.4026e-17 -16.7513 + O 2.24517e-07 1.24483e-07 -18.2725 + NO 0.000134739 0.000140107 -35.0238 + NO+ 4.59068e-22 4.77348e-22 20.1888 + Electron 4.59068e-22 8.67021e-27 -61.2026 + N+ 8.26319e-57 4.01074e-57 38.4612 + O+ 1.56891e-43 8.69849e-44 36.9401 + N2+ 6.22119e-45 6.03933e-45 21.7099 + O2+ 1.64404e-30 1.82303e-30 18.6676 Final T = 1152.68, pres = 0.00032778 atm Initial T = 1152.68, pres = 0.0032778 atm @@ -636,26 +636,26 @@ Initial T = 1152.68, pres = 0.0032778 atm 1 kg 1 kmol ----------- ------------ - enthalpy 930653 2.686e+07 J + enthalpy 930652 2.686e+07 J internal energy 598529 1.727e+07 J - entropy 9982.53 2.881e+05 J/K + entropy 9982.52 2.881e+05 J/K Gibbs function -1.0576e+07 -3.052e+08 J heat capacity c_p 1172.97 3.385e+04 J/K - heat capacity c_v 884.843 2.553e+04 J/K + heat capacity c_v 884.842 2.553e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.788403 0.76537 -31.2 O2 0.211463 0.23449 -34.2424 - N 9.13803e-18 4.43553e-18 -15.6 - O 7.09996e-08 3.93655e-08 -17.1212 - NO 0.00013474 0.000140108 -32.7212 - NO+ 1.15254e-21 1.19843e-21 23.4118 - Electron 1.15254e-21 2.17675e-26 -57.9795 - N+ 6.56069e-57 3.18439e-57 40.533 - O+ 1.24564e-43 6.90616e-44 39.0118 - N2+ 1.56194e-44 1.51628e-44 24.933 - O2+ 4.12757e-30 4.57696e-30 21.8907 + N 9.13835e-18 4.43569e-18 -15.6 + O 7.10009e-08 3.93663e-08 -17.1212 + NO 0.000134741 0.000140109 -32.7212 + NO+ 1.15163e-21 1.19749e-21 23.411 + Electron 1.15163e-21 2.17504e-26 -57.9803 + N+ 6.55598e-57 3.1821e-57 40.5321 + O+ 1.24471e-43 6.90105e-44 39.011 + N2+ 1.56078e-44 1.51515e-44 24.9321 + O2+ 4.12439e-30 4.57344e-30 21.8898 Final T = 1152.68, pres = 0.00327781 atm Initial T = 1152.68, pres = 0.0327781 atm @@ -671,24 +671,24 @@ Initial T = 1152.68, pres = 0.0327781 atm ----------- ------------ enthalpy 930653 2.686e+07 J internal energy 598529 1.727e+07 J - entropy 9319.08 2.689e+05 J/K - Gibbs function -9.81128e+06 -2.831e+08 J + entropy 9319.07 2.689e+05 J/K + Gibbs function -9.81127e+06 -2.831e+08 J heat capacity c_p 1172.97 3.385e+04 J/K - heat capacity c_v 884.843 2.553e+04 J/K + heat capacity c_v 884.842 2.553e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.788403 0.76537 -28.8975 O2 0.211463 0.23449 -31.9398 - N 2.88976e-18 1.40267e-18 -14.4487 - O 2.24523e-08 1.24486e-08 -15.9699 - NO 0.00013474 0.000140109 -30.4186 - NO+ 9.1713e-22 9.53651e-22 25.4859 - Electron 9.1713e-22 1.73214e-26 -55.9054 - N+ 1.65098e-57 8.01343e-58 41.4558 - O+ 3.13457e-44 1.73789e-44 39.9346 - N2+ 1.24294e-44 1.20661e-44 27.007 - O2+ 3.28454e-30 3.64214e-30 23.9647 + N 2.88986e-18 1.40272e-18 -14.4487 + O 2.24527e-08 1.24488e-08 -15.9699 + NO 0.000134741 0.00014011 -30.4186 + NO+ 9.17162e-22 9.53685e-22 25.4859 + Electron 9.17162e-22 1.7322e-26 -55.9053 + N+ 1.65115e-57 8.01424e-58 41.4557 + O+ 3.13482e-44 1.73803e-44 39.9346 + N2+ 1.24303e-44 1.2067e-44 27.007 + O2+ 3.2847e-30 3.64232e-30 23.9647 Final T = 1152.68, pres = 0.0327781 atm Initial T = 3008.94, pres = 8.55633e-08 atm @@ -705,23 +705,23 @@ Initial T = 3008.94, pres = 8.55633e-08 atm enthalpy 2.94317e+06 7.926e+07 J internal energy 2.39853e+06 6.459e+07 J entropy 14438.6 3.888e+05 J/K - Gibbs function -2.25282e+07 -6.067e+08 J + Gibbs function -2.25281e+07 -6.067e+08 J heat capacity c_p 1254.18 3.378e+04 J/K - heat capacity c_v 945.447 2.546e+04 J/K + heat capacity c_v 945.446 2.546e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.734463 0.76399 -43.5726 O2 0.129292 0.153622 -47.1099 - N 7.0471e-08 3.6652e-08 -21.7863 - O 0.133464 0.0792902 -23.555 + N 7.04713e-08 3.66522e-08 -21.7863 + O 0.133465 0.0792904 -23.555 NO 0.00278025 0.00309774 -45.3413 - NO+ 5.61005e-11 6.25056e-11 -0.112179 - Electron 5.61006e-11 1.13531e-15 -45.2291 - N+ 1.27882e-29 6.65089e-30 23.4428 - O+ 2.26327e-21 1.34455e-21 21.6741 - N2+ 1.38336e-25 1.43895e-25 1.65648 - O2+ 1.1543e-16 1.3715e-16 -1.88084 + NO+ 5.61007e-11 6.25059e-11 -0.112185 + Electron 5.61008e-11 1.13531e-15 -45.2291 + N+ 1.27884e-29 6.65098e-30 23.4428 + O+ 2.26329e-21 1.34456e-21 21.6741 + N2+ 1.38337e-25 1.43896e-25 1.65648 + O2+ 1.15431e-16 1.37151e-16 -1.88085 Final T = 1764.11, pres = 5.3752e-08 atm Initial T = 1764.11, pres = 5.3752e-07 atm @@ -729,7 +729,7 @@ Initial T = 1764.11, pres = 5.3752e-07 atm air_below6000K: temperature 1879.19 K - pressure 0.0576568 Pa + pressure 0.0576567 Pa density 1e-07 kg/m^3 mean mol. weight 27.099 amu @@ -740,21 +740,21 @@ Initial T = 1764.11, pres = 5.3752e-07 atm entropy 13729.9 3.721e+05 J/K Gibbs function -2.28259e+07 -6.186e+08 J heat capacity c_p 1261.81 3.419e+04 J/K - heat capacity c_v 954.994 2.588e+04 J/K + heat capacity c_v 954.993 2.588e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.738358 0.763273 -41.4151 - O2 0.135652 0.16018 -44.9212 - N 1.60763e-07 8.3094e-08 -20.7075 - O 0.121806 0.0719148 -22.4606 + O2 0.135652 0.160179 -44.9212 + N 1.60764e-07 8.30944e-08 -20.7075 + O 0.121806 0.071915 -22.4606 NO 0.00418364 0.00463245 -43.1681 - NO+ 1.47239e-10 1.63032e-10 -1.1314 - Electron 1.4724e-10 2.9612e-15 -42.0367 - N+ 4.3077e-28 2.22644e-28 21.3292 - O+ 2.0923e-20 1.23526e-20 19.5761 - N2+ 3.12509e-24 3.23048e-24 0.621638 - O2+ 6.6046e-16 7.79863e-16 -2.88445 + NO+ 1.4724e-10 1.63033e-10 -1.13141 + Electron 1.47241e-10 2.96122e-15 -42.0367 + N+ 4.30776e-28 2.22647e-28 21.3292 + O+ 2.09233e-20 1.23528e-20 19.5761 + N2+ 3.12512e-24 3.23051e-24 0.621633 + O2+ 6.60464e-16 7.79868e-16 -2.88445 Final T = 1879.19, pres = 5.69028e-07 atm Initial T = 1879.19, pres = 5.69028e-06 atm @@ -770,32 +770,32 @@ Initial T = 1879.19, pres = 5.69028e-06 atm ----------- ------------ enthalpy 3.00988e+06 8.215e+07 J internal energy 2.39853e+06 6.546e+07 J - entropy 13025.9 3.555e+05 J/K + entropy 13025.8 3.555e+05 J/K Gibbs function -2.31301e+07 -6.313e+08 J heat capacity c_p 1269.31 3.464e+04 J/K - heat capacity c_v 964.672 2.633e+04 J/K + heat capacity c_v 964.67 2.633e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ - N2 0.742614 0.76223 -39.2679 + N2 0.742613 0.76223 -39.2679 O2 0.142745 0.167359 -42.7409 - N 3.48946e-07 1.79082e-07 -19.634 - O 0.108396 0.0635439 -21.3704 - NO 0.00624513 0.00686606 -41.0044 - NO+ 3.67988e-10 4.04569e-10 -2.10579 - Electron 3.67992e-10 7.34837e-15 -38.8986 - N+ 1.25612e-26 6.44628e-27 19.2646 - O+ 1.73236e-19 1.01551e-19 17.5282 - N2+ 6.36212e-23 6.53005e-23 -0.369314 - O2+ 3.53454e-15 4.14396e-15 -3.84227 + N 3.48948e-07 1.79083e-07 -19.634 + O 0.108396 0.0635441 -21.3704 + NO 0.00624513 0.00686607 -41.0044 + NO+ 3.6799e-10 4.04571e-10 -2.1058 + Electron 3.67994e-10 7.34841e-15 -38.8986 + N+ 1.25614e-26 6.44638e-27 19.2646 + O+ 1.73238e-19 1.01552e-19 17.5282 + N2+ 6.36219e-23 6.53013e-23 -0.36932 + O2+ 3.53456e-15 4.14399e-15 -3.84228 -Final T = 2006.78, pres = 6.03357e-06 atm -Initial T = 2006.78, pres = 6.03357e-05 atm +Final T = 2006.78, pres = 6.03356e-06 atm +Initial T = 2006.78, pres = 6.03356e-05 atm air_below6000K: temperature 2147.22 K - pressure 6.48861 Pa + pressure 6.4886 Pa density 1e-05 kg/m^3 mean mol. weight 27.5144 amu @@ -803,32 +803,32 @@ Initial T = 2006.78, pres = 6.03357e-05 atm ----------- ------------ enthalpy 3.04739e+06 8.385e+07 J internal energy 2.39853e+06 6.599e+07 J - entropy 12327.2 3.392e+05 J/K + entropy 12327.1 3.392e+05 J/K Gibbs function -2.34218e+07 -6.444e+08 J heat capacity c_p 1276.53 3.512e+04 J/K - heat capacity c_v 974.348 2.681e+04 J/K + heat capacity c_v 974.347 2.681e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.747195 0.760748 -37.1302 O2 0.150579 0.175121 -40.5685 - N 7.05856e-07 3.5933e-07 -18.5651 - O 0.0930173 0.0540888 -20.2842 - NO 0.00920811 0.010042 -38.8493 - NO+ 8.56682e-10 9.34247e-10 -3.01307 - Electron 8.56699e-10 1.69693e-14 -35.8362 - N+ 2.98345e-25 1.51872e-25 17.2712 - O+ 1.2252e-18 7.12418e-19 15.552 - N2+ 1.11649e-21 1.13672e-21 -1.29393 - O2+ 1.71647e-14 1.9962e-14 -4.73222 + N 7.05861e-07 3.59332e-07 -18.5651 + O 0.0930175 0.0540889 -20.2842 + NO 0.00920812 0.010042 -38.8493 + NO+ 8.56687e-10 9.34253e-10 -3.01308 + Electron 8.56704e-10 1.69694e-14 -35.8362 + N+ 2.9835e-25 1.51875e-25 17.2712 + O+ 1.22521e-18 7.12428e-19 15.552 + N2+ 1.1165e-21 1.13673e-21 -1.29393 + O2+ 1.71649e-14 1.99621e-14 -4.73222 -Final T = 2147.22, pres = 6.40376e-05 atm -Initial T = 2147.22, pres = 0.000640376 atm +Final T = 2147.22, pres = 6.40375e-05 atm +Initial T = 2147.22, pres = 0.000640375 atm air_below6000K: temperature 2299.14 K - pressure 68.8486 Pa + pressure 68.8485 Pa density 0.0001 kg/m^3 mean mol. weight 27.7655 amu @@ -836,31 +836,31 @@ Initial T = 2147.22, pres = 0.000640376 atm ----------- ------------ enthalpy 3.08701e+06 8.571e+07 J internal energy 2.39853e+06 6.66e+07 J - entropy 11634.5 3.23e+05 J/K - Gibbs function -2.36623e+07 -6.57e+08 J + entropy 11634.4 3.23e+05 J/K + Gibbs function -2.36622e+07 -6.57e+08 J heat capacity c_p 1283.27 3.563e+04 J/K - heat capacity c_v 983.819 2.732e+04 J/K + heat capacity c_v 983.817 2.732e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.752001 0.758717 -34.9992 O2 0.159067 0.18332 -38.402 - N 1.28755e-06 6.49527e-07 -17.4996 - O 0.0756137 0.0435711 -19.201 + N 1.28756e-06 6.49531e-07 -17.4996 + O 0.0756139 0.0435712 -19.201 NO 0.0133167 0.0143914 -36.7006 - NO+ 1.79309e-09 1.93776e-09 -3.81689 - Electron 1.79316e-09 3.51974e-14 -32.8837 - N+ 5.23851e-24 2.64255e-24 15.3841 - O+ 6.8634e-18 3.95478e-18 13.6827 - N2+ 1.57326e-20 1.58728e-20 -2.11547 - O2+ 7.20572e-14 8.30421e-14 -5.51831 + NO+ 1.7931e-09 1.93777e-09 -3.8169 + Electron 1.79318e-09 3.51977e-14 -32.8837 + N+ 5.23861e-24 2.6426e-24 15.3841 + O+ 6.86351e-18 3.95484e-18 13.6827 + N2+ 1.57328e-20 1.5873e-20 -2.11548 + O2+ 7.20579e-14 8.30428e-14 -5.51832 -Final T = 2299.14, pres = 0.000679483 atm -Initial T = 2299.14, pres = 0.00679483 atm +Final T = 2299.14, pres = 0.000679482 atm +Initial T = 2299.14, pres = 0.00679482 atm air_below6000K: - temperature 2457.49 K + temperature 2457.5 K pressure 728.699 Pa density 0.001 kg/m^3 mean mol. weight 28.0401 amu @@ -871,30 +871,30 @@ Initial T = 2299.14, pres = 0.00679483 atm internal energy 2.39853e+06 6.725e+07 J entropy 10948.3 3.07e+05 J/K Gibbs function -2.37781e+07 -6.667e+08 J - heat capacity c_p 1289.28 3.615e+04 J/K - heat capacity c_v 992.754 2.784e+04 J/K + heat capacity c_p 1289.27 3.615e+04 J/K + heat capacity c_v 992.753 2.784e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.756823 0.756106 -32.8686 O2 0.167916 0.191622 -36.2366 - N 2.00897e-06 1.00353e-06 -16.4343 - O 0.056584 0.0322863 -18.1183 - NO 0.0186748 0.0199842 -34.5526 - NO+ 3.18616e-09 3.4095e-09 -4.45753 - Electron 3.1864e-09 6.19324e-14 -30.0951 - N+ 5.81834e-23 2.9063e-23 13.6608 - O+ 2.69654e-17 1.53857e-17 11.9768 - N2+ 1.58747e-19 1.58593e-19 -2.77353 - O2+ 2.41729e-13 2.75853e-13 -6.14153 + N 2.00898e-06 1.00354e-06 -16.4343 + O 0.0565842 0.0322864 -18.1183 + NO 0.0186748 0.0199843 -34.5526 + NO+ 3.18618e-09 3.40953e-09 -4.45754 + Electron 3.18643e-09 6.19329e-14 -30.0951 + N+ 5.81847e-23 2.90637e-23 13.6608 + O+ 2.69658e-17 1.53859e-17 11.9768 + N2+ 1.5875e-19 1.58596e-19 -2.77354 + O2+ 2.41732e-13 2.75856e-13 -6.14154 -Final T = 2457.49, pres = 0.0071917 atm -Initial T = 2457.49, pres = 0.071917 atm +Final T = 2457.5, pres = 0.0071917 atm +Initial T = 2457.5, pres = 0.071917 atm air_below6000K: temperature 2610.53 K - pressure 7664.71 Pa + pressure 7664.7 Pa density 0.01 kg/m^3 mean mol. weight 28.3183 amu @@ -909,24 +909,24 @@ Initial T = 2457.49, pres = 0.071917 atm X Y Chem. Pot. / RT ------------- ------------ ------------ - N2 0.761291 0.753095 -30.7261 + N2 0.76129 0.753095 -30.7261 O2 0.176463 0.199398 -34.0624 - N 2.47224e-06 1.22281e-06 -15.3631 - O 0.0372965 0.0210719 -17.0312 - NO 0.0249473 0.0264342 -32.3943 - NO+ 4.39748e-09 4.65949e-09 -4.84133 - Electron 4.39806e-09 8.46427e-14 -27.5529 - N+ 3.21521e-22 1.59024e-22 12.1898 - O+ 6.15914e-17 3.47969e-17 10.5217 - N2+ 9.61007e-19 9.50643e-19 -3.17322 - O2+ 5.73802e-13 6.48366e-13 -6.50944 + N 2.47226e-06 1.22282e-06 -15.3631 + O 0.0372967 0.021072 -17.0312 + NO 0.0249474 0.0264343 -32.3943 + NO+ 4.39753e-09 4.65954e-09 -4.84135 + Electron 4.3981e-09 8.46436e-14 -27.5529 + N+ 3.2153e-22 1.59028e-22 12.1898 + O+ 6.15927e-17 3.47977e-17 10.5217 + N2+ 9.61027e-19 9.50663e-19 -3.17324 + O2+ 5.7381e-13 6.48375e-13 -6.50946 -Final T = 2610.53, pres = 0.0756448 atm +Final T = 2610.53, pres = 0.0756447 atm Initial T = 6437.5, pres = 1.86538e-07 atm air_below6000K: - temperature 2945.65 K + temperature 2945.66 K pressure 0.0104079 Pa density 1e-08 kg/m^3 mean mol. weight 23.5318 amu @@ -938,24 +938,24 @@ Initial T = 6437.5, pres = 1.86538e-07 atm entropy 16362.2 3.85e+05 J/K Gibbs function -4.0758e+07 -9.591e+08 J heat capacity c_p 1321.41 3.11e+04 J/K - heat capacity c_v 968.084 2.278e+04 J/K + heat capacity c_v 968.083 2.278e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ - N2 0.630849 0.750996 -44.8654 - O2 1.39323e-06 1.89453e-06 -59.788 - N 0.0241541 0.0143771 -22.4327 + N2 0.630849 0.750995 -44.8654 + O2 1.39321e-06 1.8945e-06 -59.788 + N 0.0241544 0.0143773 -22.4327 O 0.344887 0.234491 -29.894 - NO 0.000102862 0.000131163 -52.3267 - NO+ 2.91192e-06 3.71302e-06 -17.4904 - Electron 2.91277e-06 6.74603e-11 -34.8363 - N+ 7.39583e-12 4.40202e-12 12.4035 - O+ 8.35023e-10 5.67718e-10 4.94227 - N2+ 3.21595e-12 3.82836e-12 -10.0292 - O2+ 3.03228e-12 4.12326e-12 -24.9517 + NO 0.000102862 0.000131162 -52.3267 + NO+ 2.91195e-06 3.71306e-06 -17.4905 + Electron 2.9128e-06 6.7461e-11 -34.8362 + N+ 7.39612e-12 4.4022e-12 12.4035 + O+ 8.35044e-10 5.67732e-10 4.94225 + N2+ 3.21604e-12 3.82847e-12 -10.0292 + O2+ 3.03231e-12 4.1233e-12 -24.9517 -Final T = 2945.65, pres = 1.02718e-07 atm -Initial T = 2945.65, pres = 1.02718e-06 atm +Final T = 2945.66, pres = 1.02718e-07 atm +Initial T = 2945.66, pres = 1.02718e-06 atm air_below6000K: @@ -968,24 +968,24 @@ Initial T = 2945.65, pres = 1.02718e-06 atm ----------- ------------ enthalpy 7.48317e+06 1.767e+08 J internal energy 6.39853e+06 1.511e+08 J - entropy 15550 3.671e+05 J/K + entropy 15549.9 3.671e+05 J/K Gibbs function -4.04105e+07 -9.541e+08 J heat capacity c_p 1323.23 3.124e+04 J/K - heat capacity c_v 971.073 2.293e+04 J/K + heat capacity c_v 971.072 2.293e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.636117 0.75476 -42.6792 - O2 5.85321e-06 7.9329e-06 -56.1844 - N 0.0177433 0.0105263 -21.3396 + O2 5.85311e-06 7.93277e-06 -56.1844 + N 0.0177436 0.0105265 -21.3396 O 0.345878 0.234386 -28.0922 - NO 0.000248908 0.00031634 -49.4318 - NO+ 3.27998e-06 4.16849e-06 -16.9579 - Electron 3.28083e-06 7.57329e-11 -32.4739 - N+ 6.29836e-12 3.73639e-12 11.1343 - O+ 8.26462e-10 5.60036e-10 4.38167 - N2+ 4.52429e-12 5.36801e-12 -10.2053 - O2+ 9.62394e-12 1.30432e-11 -23.7105 + NO 0.000248907 0.000316338 -49.4318 + NO+ 3.28002e-06 4.16854e-06 -16.9579 + Electron 3.28087e-06 7.57338e-11 -32.4738 + N+ 6.29867e-12 3.73657e-12 11.1342 + O+ 8.26488e-10 5.60054e-10 4.38165 + N2+ 4.52445e-12 5.36821e-12 -10.2053 + O2+ 9.62403e-12 1.30433e-11 -23.7105 Final T = 3079.99, pres = 1.07046e-06 atm Initial T = 3079.99, pres = 1.07046e-05 atm @@ -1004,28 +1004,28 @@ Initial T = 3079.99, pres = 1.07046e-05 atm entropy 14740.4 3.492e+05 J/K Gibbs function -3.97547e+07 -9.417e+08 J heat capacity c_p 1324.78 3.138e+04 J/K - heat capacity c_v 973.764 2.307e+04 J/K + heat capacity c_v 973.762 2.307e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ - N2 0.641058 0.758149 -40.4837 - O2 2.74938e-05 3.71414e-05 -52.4587 - N 0.0116959 0.0069161 -20.2419 + N2 0.641057 0.758149 -40.4837 + O2 2.74932e-05 3.71407e-05 -52.4587 + N 0.0116961 0.00691623 -20.2419 O 0.346589 0.234104 -26.2294 - NO 0.000623449 0.000789772 -46.4712 - NO+ 3.3837e-06 4.28632e-06 -16.2766 - Electron 3.38439e-06 7.78696e-11 -30.1947 - N+ 3.78744e-12 2.23953e-12 9.9528 - O+ 6.56589e-10 4.43479e-10 3.9653 - N2+ 4.89296e-12 5.78656e-12 -10.2891 - O2+ 2.83815e-11 3.83399e-11 -22.2641 + NO 0.000623445 0.000789766 -46.4712 + NO+ 3.38375e-06 4.28639e-06 -16.2766 + Electron 3.38445e-06 7.78708e-11 -30.1946 + N+ 3.78767e-12 2.23967e-12 9.95278 + O+ 6.56614e-10 4.43496e-10 3.96527 + N2+ 4.89318e-12 5.78683e-12 -10.2891 + O2+ 2.83818e-11 3.83404e-11 -22.2641 Final T = 3207.45, pres = 1.11114e-05 atm Initial T = 3207.45, pres = 0.000111114 atm air_below6000K: - temperature 3318.59 K + temperature 3318.6 K pressure 11.6123 Pa density 1e-05 kg/m^3 mean mol. weight 23.7613 amu @@ -1037,28 +1037,28 @@ Initial T = 3207.45, pres = 0.000111114 atm entropy 13933.4 3.311e+05 J/K Gibbs function -3.86797e+07 -9.191e+08 J heat capacity c_p 1326 3.151e+04 J/K - heat capacity c_v 976.084 2.319e+04 J/K + heat capacity c_v 976.083 2.319e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.645083 0.760523 -38.2726 - O2 0.000148603 0.00020012 -48.5744 - N 0.00670202 0.00395068 -19.1363 + O2 0.000148599 0.000200115 -48.5744 + N 0.00670218 0.00395078 -19.1363 O 0.346431 0.233265 -24.2872 - NO 0.00162924 0.00205743 -43.4235 - NO+ 3.10975e-06 3.92697e-06 -15.4005 - Electron 3.11022e-06 7.13375e-11 -28.023 - N+ 1.45279e-12 8.56351e-13 8.88668 - O+ 3.92147e-10 2.64039e-10 3.7358 - N2+ 3.76211e-12 4.43526e-12 -10.2496 - O2+ 7.586e-11 1.02157e-10 -20.5514 + NO 0.00162923 0.00205741 -43.4235 + NO+ 3.10981e-06 3.92705e-06 -15.4006 + Electron 3.11029e-06 7.13389e-11 -28.023 + N+ 1.4529e-12 8.56417e-13 8.88666 + O+ 3.92166e-10 2.64052e-10 3.73577 + N2+ 3.76233e-12 4.43552e-12 -10.2497 + O2+ 7.58612e-11 1.02159e-10 -20.5514 -Final T = 3318.59, pres = 0.000114605 atm -Initial T = 3318.59, pres = 0.00114605 atm +Final T = 3318.6, pres = 0.000114605 atm +Initial T = 3318.6, pres = 0.00114605 atm air_below6000K: - temperature 3417.09 K + temperature 3417.1 K pressure 119.127 Pa density 0.0001 kg/m^3 mean mol. weight 23.8496 amu @@ -1068,26 +1068,26 @@ Initial T = 3318.59, pres = 0.00114605 atm enthalpy 7.5898e+06 1.81e+08 J internal energy 6.39853e+06 1.526e+08 J entropy 13129.1 3.131e+05 J/K - Gibbs function -3.72736e+07 -8.89e+08 J + Gibbs function -3.72737e+07 -8.89e+08 J heat capacity c_p 1326.98 3.165e+04 J/K - heat capacity c_v 978.356 2.333e+04 J/K + heat capacity c_v 978.355 2.333e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.647745 0.760834 -36.0515 - O2 0.000876305 0.00117573 -44.5898 - N 0.00347447 0.00204054 -18.0258 + O2 0.000876281 0.0011757 -44.5899 + N 0.00347456 0.00204059 -18.0258 O 0.343542 0.230464 -22.2949 - NO 0.00435766 0.00548255 -40.3207 - NO+ 2.6229e-06 3.29992e-06 -14.3889 - Electron 2.62328e-06 5.9946e-11 -25.9318 - N+ 4.05713e-13 2.38264e-13 7.90602 - O+ 1.90592e-10 1.27853e-10 3.63687 - N2+ 2.27319e-12 2.67001e-12 -10.1197 - O2+ 1.87267e-10 2.5125e-10 -18.658 + NO 0.00435762 0.0054825 -40.3207 + NO+ 2.62296e-06 3.29999e-06 -14.3889 + Electron 2.62334e-06 5.99473e-11 -25.9318 + N+ 4.05747e-13 2.38284e-13 7.906 + O+ 1.90602e-10 1.2786e-10 3.63684 + N2+ 2.27333e-12 2.67018e-12 -10.1198 + O2+ 1.8727e-10 2.51255e-10 -18.6581 -Final T = 3417.09, pres = 0.00117569 atm -Initial T = 3417.09, pres = 0.0117569 atm +Final T = 3417.1, pres = 0.00117569 atm +Initial T = 3417.1, pres = 0.0117569 atm air_below6000K: @@ -1103,28 +1103,28 @@ Initial T = 3417.09, pres = 0.0117569 atm entropy 12328.9 2.962e+05 J/K Gibbs function -3.62024e+07 -8.697e+08 J heat capacity c_p 1328.33 3.191e+04 J/K - heat capacity c_v 982.221 2.36e+04 J/K + heat capacity c_v 982.219 2.36e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ - N2 0.649921 0.757899 -33.8646 - O2 0.00420976 0.00560757 -40.8464 - N 0.00209788 0.00122321 -16.9323 + N2 0.649921 0.757899 -33.8647 + O2 0.00420967 0.00560745 -40.8464 + N 0.00209792 0.00122323 -16.9323 O 0.332941 0.221746 -20.4232 - NO 0.0108249 0.0135213 -37.3555 - NO+ 2.48454e-06 3.10336e-06 -13.6141 - Electron 2.48517e-06 5.63814e-11 -23.7415 - N+ 1.88247e-13 1.09757e-13 6.80913 - O+ 1.25428e-10 8.35346e-11 3.31826 - N2+ 2.02806e-12 2.36495e-12 -10.1232 - O2+ 4.96803e-10 6.6175e-10 -17.1049 + NO 0.0108249 0.0135212 -37.3555 + NO+ 2.48459e-06 3.10342e-06 -13.6141 + Electron 2.48521e-06 5.63824e-11 -23.7414 + N+ 1.8826e-13 1.09764e-13 6.80912 + O+ 1.25433e-10 8.35383e-11 3.31823 + N2+ 2.02816e-12 2.36507e-12 -10.1232 + O2+ 4.9681e-10 6.6176e-10 -17.105 Final T = 3555.18, pres = 0.012144 atm Initial T = 3555.18, pres = 0.12144 atm air_below6000K: - temperature 3800.16 K + temperature 3800.17 K pressure 12968.3 Pa density 0.01 kg/m^3 mean mol. weight 24.3643 amu @@ -1136,24 +1136,24 @@ Initial T = 3555.18, pres = 0.12144 atm entropy 11537 2.811e+05 J/K Gibbs function -3.61473e+07 -8.807e+08 J heat capacity c_p 1331 3.243e+04 J/K - heat capacity c_v 989.742 2.411e+04 J/K + heat capacity c_v 989.741 2.411e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ - N2 0.653418 0.751284 -31.7612 - O2 0.0124851 0.0163972 -37.678 - N 0.00186299 0.00107101 -15.8806 - O 0.309477 0.203225 -18.839 - NO 0.0227506 0.0280187 -34.7196 - NO+ 3.18462e-06 3.92198e-06 -13.4287 - Electron 3.18642e-06 7.12763e-11 -21.2909 - N+ 3.11855e-13 1.79275e-13 5.41026 - O+ 1.78541e-10 1.17239e-10 2.4519 - N2+ 4.81467e-12 5.53568e-12 -10.4704 - O2+ 1.62057e-09 2.12834e-09 -16.3871 + N2 0.653418 0.751284 -31.7613 + O2 0.0124849 0.016397 -37.678 + N 0.00186302 0.00107103 -15.8806 + O 0.309477 0.203226 -18.839 + NO 0.0227505 0.0280186 -34.7196 + NO+ 3.18466e-06 3.92203e-06 -13.4287 + Electron 3.18646e-06 7.12772e-11 -21.2909 + N+ 3.11869e-13 1.79283e-13 5.41025 + O+ 1.78546e-10 1.17243e-10 2.45188 + N2+ 4.81484e-12 5.53587e-12 -10.4704 + O2+ 1.62059e-09 2.12837e-09 -16.3871 -Final T = 3800.16, pres = 0.127987 atm -Initial T = 7052.07, pres = 2.37509e-07 atm +Final T = 3800.17, pres = 0.127987 atm +Initial T = 7052.08, pres = 2.37509e-07 atm air_below6000K: @@ -1169,24 +1169,24 @@ Initial T = 7052.07, pres = 2.37509e-07 atm entropy 17407.2 3.813e+05 J/K Gibbs function -4.63903e+07 -1.016e+09 J heat capacity c_p 1343.53 2.943e+04 J/K - heat capacity c_v 963.974 2.112e+04 J/K + heat capacity c_v 963.973 2.112e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ - N2 0.51821 0.662696 -45.2973 - O2 1.57963e-07 2.30744e-07 -62.225 - N 0.160619 0.102701 -22.6487 + N2 0.51821 0.662695 -45.2973 + O2 1.57962e-07 2.30743e-07 -62.2251 + N 0.16062 0.102702 -22.6487 O 0.321096 0.23452 -31.1125 - NO 4.64565e-05 6.36352e-05 -53.7612 - NO+ 1.40272e-05 1.92139e-05 -20.4316 - Electron 1.40837e-05 3.50393e-10 -33.3296 - N+ 4.79433e-09 3.06541e-09 10.681 - O+ 5.12902e-08 3.74597e-08 2.21711 - N2+ 4.04428e-10 5.17179e-10 -11.9677 + NO 4.64564e-05 6.36351e-05 -53.7612 + NO+ 1.40273e-05 1.9214e-05 -20.4316 + Electron 1.40838e-05 3.50394e-10 -33.3296 + N+ 4.79438e-09 3.06545e-09 10.681 + O+ 5.12905e-08 3.746e-08 2.2171 + N2+ 4.04431e-10 5.17183e-10 -11.9677 O2+ 1.18531e-11 1.7314e-11 -28.8954 -Final T = 3293.99, pres = 1.23391e-07 atm -Initial T = 3293.99, pres = 1.23391e-06 atm +Final T = 3293.99, pres = 1.2339e-07 atm +Initial T = 3293.99, pres = 1.2339e-06 atm air_below6000K: @@ -1200,23 +1200,23 @@ Initial T = 3293.99, pres = 1.23391e-06 atm enthalpy 1.10263e+07 2.428e+08 J internal energy 9.69853e+06 2.135e+08 J entropy 16535.4 3.641e+05 J/K - Gibbs function -4.71123e+07 -1.037e+09 J + Gibbs function -4.71122e+07 -1.037e+09 J heat capacity c_p 1346.82 2.965e+04 J/K - heat capacity c_v 969.171 2.134e+04 J/K + heat capacity c_v 969.17 2.134e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ - N2 0.525826 0.669053 -43.1683 - O2 5.17854e-07 7.5265e-07 -58.9387 - N 0.151375 0.0963037 -21.5842 + N2 0.525825 0.669053 -43.1683 + O2 5.17852e-07 7.52646e-07 -58.9387 + N 0.151376 0.096304 -21.5842 O 0.322655 0.234474 -29.4693 NO 0.000104379 0.000142258 -51.0535 - NO+ 1.95395e-05 2.66298e-05 -20.2701 - Electron 1.96343e-05 4.86031e-10 -30.7834 - N+ 9.13253e-09 5.80982e-09 9.19923 - O+ 8.45593e-08 6.14472e-08 1.31404 - N2+ 1.05956e-09 1.34815e-09 -12.3849 - O2+ 4.50091e-11 6.54152e-11 -28.1553 + NO+ 1.95396e-05 2.66299e-05 -20.2701 + Electron 1.96344e-05 4.86033e-10 -30.7834 + N+ 9.13263e-09 5.80989e-09 9.19923 + O+ 8.45599e-08 6.14476e-08 1.31403 + N2+ 1.05957e-09 1.34816e-09 -12.3849 + O2+ 4.50092e-11 6.54153e-11 -28.1553 Final T = 3516.01, pres = 1.31045e-06 atm Initial T = 3516.01, pres = 1.31045e-05 atm @@ -1232,32 +1232,32 @@ Initial T = 3516.01, pres = 1.31045e-05 atm ----------- ------------ enthalpy 1.11128e+07 2.461e+08 J internal energy 9.69853e+06 2.148e+08 J - entropy 15668.3 3.47e+05 J/K + entropy 15668.2 3.47e+05 J/K Gibbs function -4.79042e+07 -1.061e+09 J heat capacity c_p 1350.74 2.991e+04 J/K - heat capacity c_v 975.268 2.16e+04 J/K + heat capacity c_v 975.267 2.16e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.534543 0.676223 -41.0514 - O2 1.72905e-06 2.49852e-06 -55.6497 - N 0.140779 0.0890463 -20.5257 + O2 1.72905e-06 2.49851e-06 -55.6498 + N 0.14078 0.0890466 -20.5257 O 0.324385 0.234372 -27.8249 - NO 0.000236103 0.000319927 -48.3506 - NO+ 2.7034e-05 3.66313e-05 -20.1004 - Electron 2.71895e-05 6.69171e-10 -28.2502 - N+ 1.66858e-08 1.05537e-08 7.72452 - O+ 1.35925e-07 9.82041e-08 0.425342 - N2+ 2.70465e-09 3.42145e-09 -12.8012 - O2+ 1.70141e-10 2.45852e-10 -27.3995 + NO 0.000236102 0.000319926 -48.3506 + NO+ 2.7034e-05 3.66314e-05 -20.1004 + Electron 2.71895e-05 6.69173e-10 -28.2502 + N+ 1.6686e-08 1.05539e-08 7.72452 + O+ 1.35926e-07 9.82048e-08 0.425337 + N2+ 2.70467e-09 3.42148e-09 -12.8012 + O2+ 1.70141e-10 2.45853e-10 -27.3995 Final T = 3766.66, pres = 1.39577e-05 atm Initial T = 3766.66, pres = 0.000139577 atm air_below6000K: - temperature 4050.35 K - pressure 15.1065 Pa + temperature 4050.36 K + pressure 15.1064 Pa density 1e-05 kg/m^3 mean mol. weight 22.2928 amu @@ -1268,24 +1268,24 @@ Initial T = 3766.66, pres = 0.000139577 atm entropy 14806.5 3.301e+05 J/K Gibbs function -4.87625e+07 -1.087e+09 J heat capacity c_p 1355.57 3.022e+04 J/K - heat capacity c_v 982.601 2.19e+04 J/K + heat capacity c_v 982.6 2.19e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.544538 0.684274 -38.9472 - O2 5.90966e-06 8.48263e-06 -52.3543 - N 0.128599 0.0807999 -19.4736 + O2 5.90963e-06 8.48259e-06 -52.3543 + N 0.1286 0.0808002 -19.4736 O 0.326244 0.234143 -26.1771 - NO 0.000538494 0.000724813 -45.6507 - NO+ 3.70145e-05 4.98205e-05 -19.9165 - Electron 3.72615e-05 9.10944e-10 -25.7343 - N+ 2.87988e-08 1.80938e-08 6.26065 - O+ 2.10966e-07 1.51403e-07 -0.442893 - N2+ 6.65571e-09 8.36349e-09 -13.213 - O2+ 6.38182e-10 9.16021e-10 -26.62 + NO 0.000538493 0.000724811 -45.6508 + NO+ 3.70146e-05 4.98207e-05 -19.9165 + Electron 3.72616e-05 9.10947e-10 -25.7343 + N+ 2.87992e-08 1.8094e-08 6.26065 + O+ 2.10967e-07 1.51405e-07 -0.442899 + N2+ 6.65577e-09 8.36357e-09 -13.213 + O2+ 6.38183e-10 9.16023e-10 -26.62 -Final T = 4050.35, pres = 0.000149089 atm -Initial T = 4050.35, pres = 0.00149089 atm +Final T = 4050.36, pres = 0.000149089 atm +Initial T = 4050.36, pres = 0.00149089 atm air_below6000K: @@ -1301,21 +1301,21 @@ Initial T = 4050.35, pres = 0.00149089 atm entropy 13951 3.134e+05 J/K Gibbs function -4.96714e+07 -1.116e+09 J heat capacity c_p 1361.54 3.059e+04 J/K - heat capacity c_v 991.483 2.228e+04 J/K + heat capacity c_v 991.482 2.228e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ N2 0.555954 0.693176 -36.856 - O2 2.08096e-05 2.9637e-05 -49.0466 - N 0.114619 0.0714548 -18.428 + O2 2.08095e-05 2.96369e-05 -49.0466 + N 0.114619 0.0714551 -18.428 O 0.328065 0.233616 -24.5233 - NO 0.00124059 0.00165683 -42.9513 - NO+ 4.98713e-05 6.66025e-05 -19.7098 - Electron 5.02468e-05 1.21883e-09 -23.2415 - N+ 4.59398e-08 2.86383e-08 4.81344 - O+ 3.11682e-07 2.21942e-07 -1.28183 - N2+ 1.55453e-08 1.93819e-08 -13.6146 - O2+ 2.3627e-09 3.3649e-09 -25.8051 + NO 0.00124059 0.00165682 -42.9513 + NO+ 4.98714e-05 6.66028e-05 -19.7099 + Electron 5.0247e-05 1.21883e-09 -23.2415 + N+ 4.59404e-08 2.86387e-08 4.81344 + O+ 3.11685e-07 2.21944e-07 -1.28184 + N2+ 1.55455e-08 1.93821e-08 -13.6146 + O2+ 2.3627e-09 3.36491e-09 -25.8051 Final T = 4371.57, pres = 0.00159659 atm Initial T = 4371.57, pres = 0.0159659 atm @@ -1332,26 +1332,26 @@ Initial T = 4371.57, pres = 0.0159659 atm enthalpy 1.14342e+07 2.593e+08 J internal energy 9.69853e+06 2.199e+08 J entropy 13102.7 2.971e+05 J/K - Gibbs function -5.05944e+07 -1.147e+09 J + Gibbs function -5.05943e+07 -1.147e+09 J heat capacity c_p 1368.64 3.104e+04 J/K - heat capacity c_v 1002.01 2.272e+04 J/K + heat capacity c_v 1002 2.272e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ - N2 0.568792 0.702621 -34.7776 - O2 7.60334e-05 0.000107285 -45.7193 - N 0.0987443 0.0609887 -17.3888 + N2 0.568791 0.70262 -34.7776 + O2 7.60329e-05 0.000107284 -45.7193 + N 0.0987447 0.060989 -17.3888 O 0.329365 0.232371 -22.8596 - NO 0.00289126 0.00382559 -40.2484 - NO+ 6.55575e-05 8.67412e-05 -19.468 - Electron 6.6095e-05 1.58842e-09 -20.7804 - N+ 6.57105e-08 4.05841e-08 3.39166 - O+ 4.2952e-07 3.03021e-07 -2.07919 - N2+ 3.37049e-08 4.16344e-08 -13.9971 - O2+ 8.55849e-09 1.2076e-08 -24.9388 + NO 0.00289125 0.00382558 -40.2484 + NO+ 6.55577e-05 8.67415e-05 -19.468 + Electron 6.60952e-05 1.58843e-09 -20.7804 + N+ 6.57115e-08 4.05847e-08 3.39166 + O+ 4.29524e-07 3.03024e-07 -2.07919 + N2+ 3.37053e-08 4.16349e-08 -13.9971 + O2+ 8.55851e-09 1.20761e-08 -24.9388 -Final T = 4734.02, pres = 0.0171297 atm -Initial T = 4734.02, pres = 0.171297 atm +Final T = 4734.02, pres = 0.0171296 atm +Initial T = 4734.02, pres = 0.171296 atm air_below6000K: @@ -1365,22 +1365,22 @@ Initial T = 4734.02, pres = 0.171297 atm enthalpy 1.15616e+07 2.652e+08 J internal energy 9.69853e+06 2.225e+08 J entropy 12263.1 2.813e+05 J/K - Gibbs function -5.14672e+07 -1.181e+09 J - heat capacity c_p 1376.18 3.157e+04 J/K + Gibbs function -5.14671e+07 -1.181e+09 J + heat capacity c_p 1376.17 3.157e+04 J/K heat capacity c_v 1013.69 2.325e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ - N2 0.58266 0.711602 -32.7112 - O2 0.00028938 0.000403698 -42.3671 - N 0.0812643 0.049624 -16.3556 + N2 0.582659 0.711602 -32.7112 + O2 0.000289378 0.000403696 -42.3671 + N 0.0812647 0.0496243 -16.3556 O 0.328809 0.229352 -21.1836 - NO 0.00681051 0.00890932 -37.5392 - NO+ 8.30639e-05 0.00010866 -19.1761 - Electron 8.37789e-05 1.99061e-09 -18.3631 - N+ 8.12574e-08 4.96179e-08 2.00744 - O+ 5.37869e-07 3.75163e-07 -2.82049 - N2+ 6.60092e-08 8.06154e-08 -14.3482 - O2+ 2.99e-08 4.17113e-08 -24.004 + NO 0.00681049 0.0089093 -37.5392 + NO+ 8.30643e-05 0.000108661 -19.1761 + Electron 8.37793e-05 1.99062e-09 -18.3631 + N+ 8.12589e-08 4.96188e-08 2.00744 + O+ 5.37875e-07 3.75168e-07 -2.8205 + N2+ 6.601e-08 8.06165e-08 -14.3482 + O2+ 2.99001e-08 4.17114e-08 -24.0041 Final T = 5139.7, pres = 0.18387 atm diff --git a/test_problems/VCSnonideal/NaCl_equil/good_out.txt b/test_problems/VCSnonideal/NaCl_equil/good_out.txt index 565135025..fee3be0ee 100644 --- a/test_problems/VCSnonideal/NaCl_equil/good_out.txt +++ b/test_problems/VCSnonideal/NaCl_equil/good_out.txt @@ -191,19 +191,19 @@ VCS CALCULATION METHOD -------------------------------------------------------------------------------- Species Equilibrium kmoles Mole Fraction ChemPot/RT SpecUnkType -------------------------------------------------------------------------------- - NaCl(S) 4.7876981E+00 1.0000000E+00 -1.7452E+02 0 - N2 4.0000000E+00 9.7628143E-01 -2.3069E+01 0 - H2O(L) 1.9028209E+00 8.1756495E-01 -1.2400E+02 0 - Na+ 2.1230193E-01 9.1217525E-02 -1.0214E+02 0 - OH- 1.8416226E-09 7.9127051E-10 -1.0883E+02 0 - OH 3.7473450E-07 9.1461582E-08 -1.0769E+02 0 + NaCl(S) 4.7876961E+00 1.0000000E+00 -1.7452E+02 0 + N2 4.0000000E+00 9.7628453E-01 -2.3069E+01 0 + H2O(L) 1.9028340E+00 8.1756460E-01 -1.2400E+02 0 + Na+ 2.1230388E-01 9.1217698E-02 -1.0214E+02 0 + OH- 1.8416159E-09 7.9126188E-10 -1.0883E+02 0 + OH 3.7470071E-07 9.1453628E-08 -1.0769E+02 0 CO2 0.0000000E+00 0.0000000E+00 -5.0822E+02 0 - Cl- 2.1230193E-01 9.1217525E-02 -7.2377E+01 KMolNum - H2O 9.7178674E-02 2.3718434E-02 -1.2400E+02 KMolNum - H2 1.8736725E-07 4.5730791E-08 -3.2618E+01 KMolNum - H+ 1.8416226E-09 7.9127051E-10 -1.5174E+01 KMolNum - NaCl 3.9996395E-32 9.7619345E-33 -1.7452E+02 KMolNum - O2 8.9465967E-69 2.1835990E-69 -1.8277E+02 KMolNum + Cl- 2.1230388E-01 9.1217698E-02 -7.2378E+01 KMolNum + H2O 9.7165652E-02 2.3715331E-02 -1.2400E+02 KMolNum + H2 1.8735036E-07 4.5726814E-08 -3.2618E+01 KMolNum + H+ 1.8416159E-09 7.9126188E-10 -1.5174E+01 KMolNum + NaCl 3.9992758E-32 9.7610778E-33 -1.7452E+02 KMolNum + O2 8.9458131E-69 2.1834147E-69 -1.8277E+02 KMolNum -------------------------------------------------------------------------------- @@ -228,15 +228,15 @@ VCS CALCULATION METHOD | Element | O H C N Na Cl cn_NaCl_el Fe E Si Ca | | PhaseName |KMolTarget | 2 4 0 8 5 5 0 0 0 0 0 | Gibbs Total | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ - 0 NaCl_electro | 2.327e+00 | 1.9 3.81 0 0 0.212 0.212 0 0 0 0 0 | -2.73006234929E+02 | - 1 air | 4.097e+00 | 0.0972 0.194 0 8 4e-32 4e-32 0 0 0 0 0 | -1.04327434136E+02 | - 2 NaCl(S) | 4.788e+00 | 0 0 0 0 4.79 4.79 0 0 0 0 0 | -8.35533676818E+02 | + 0 NaCl_electro | 2.327e+00 | 1.9 3.81 0 0 0.212 0.212 0 0 0 0 0 | -2.73008478338E+02 | + 1 air | 4.097e+00 | 0.0972 0.194 0 8 4e-32 4e-32 0 0 0 0 0 | -1.04325817404E+02 | + 2 NaCl(S) | 4.788e+00 | 0 0 0 0 4.79 4.79 0 0 0 0 0 | -8.35534332084E+02 | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ - TOTAL | 1.121e+01 | 2 4 0 8 5 5 0 0 0 0 0 | -1.21286734588E+03 | + TOTAL | 1.121e+01 | 2 4 0 8 5 5 0 0 0 0 0 | -1.21286862783E+03 | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ - Total Dimensionless Gibbs Free Energy = G/RT = -1.2128673E+03 + Total Dimensionless Gibbs Free Energy = G/RT = -1.2128686E+03 Elemental Abundances (kmol): Actual Target Type ElActive O 2.000000000000E+00 2.000000000000E+00 0 1 @@ -257,20 +257,20 @@ Chemical Potentials of the Species: (dimensionless) (RT = 2.47896e+06 J/kmol) Name TKMoles StandStateChemPot ln(AC) ln(X_i) | F z_i phi | ChemPot | (-lnMnaught)| (MolNum ChemPot)| --------------------------------------------------------------------------------------------------------------------------------------------------- - NaCl(S) 4.7876981E+00 -1.7451679E+02 0.0000000E+00 0.0000000E+00 | 0.0000000E+00 | -1.7452E+02 | | -8.355336768E+02 | - N2 4.0000000E+00 -2.3045225E+01 0.0000000E+00 -2.4004385E-02 | 0.0000000E+00 | -2.3069E+01 | | -9.227691608E+01 | - H2O(L) 1.9028209E+00 -1.2371551E+02 -8.6317426E-02 -2.0142493E-01 | 0.0000000E+00 | -1.2400E+02 | | -2.359559843E+02 | - Na+ 2.1230193E-01 -1.0397591E+02 2.1455966E-01 -2.3945082E+00 | 0.0000000E+00 | -1.0214E+02 |(4.01653E+00)| -2.168437494E+01 | - OH- 1.8416226E-09 -9.1483483E+01 -4.0506365E-01 -2.0957381E+01 |-0.0000000E+00 | -1.0883E+02 |(4.01653E+00)| -2.004226720E-07 | - OH 3.7473450E-07 -9.1487045E+01 0.0000000E+00 -1.6207347E+01 | 0.0000000E+00 | -1.0769E+02 | | -4.035680380E-05 | + NaCl(S) 4.7876961E+00 -1.7451699E+02 0.0000000E+00 0.0000000E+00 | 0.0000000E+00 | -1.7452E+02 | | -8.355343321E+02 | + N2 4.0000000E+00 -2.3045224E+01 0.0000000E+00 -2.4001206E-02 | 0.0000000E+00 | -2.3069E+01 | | -9.227690170E+01 | + H2O(L) 1.9028340E+00 -1.2371564E+02 -8.6317845E-02 -2.0142535E-01 | 0.0000000E+00 | -1.2400E+02 | | -2.359578440E+02 | + Na+ 2.1230388E-01 -1.0397603E+02 2.1455995E-01 -2.3945063E+00 | 0.0000000E+00 | -1.0214E+02 |(4.01653E+00)| -2.168459952E+01 | + OH- 1.8416159E-09 -9.1483592E+01 -4.0506503E-01 -2.0957392E+01 |-0.0000000E+00 | -1.0883E+02 |(4.01653E+00)| -2.004221673E-07 | + OH 3.7470071E-07 -9.1487044E+01 0.0000000E+00 -1.6207434E+01 | 0.0000000E+00 | -1.0769E+02 | | -4.035319768E-05 | CO2 0.0000000E+00 -1.8445182E+02 0.0000000E+00 -3.2377221E+02 | 0.0000000E+00 | -5.0822E+02 | | -0.000000000E+00 | - Cl- 2.1230193E-01 -7.4214051E+01 2.1455966E-01 -2.3945082E+00 |-0.0000000E+00 | -7.2377E+01 |(4.01653E+00)| -1.536587545E+01 | - H2O 9.7178674E-02 -1.2026175E+02 0.0000000E+00 -3.7415027E+00 | 0.0000000E+00 | -1.2400E+02 | | -1.205047159E+01 | - H2 1.8736725E-07 -1.5717224E+01 0.0000000E+00 -1.6900494E+01 | 0.0000000E+00 | -3.2618E+01 | | -6.111492072E-06 | - H+ 1.8416226E-09 0.0000000E+00 1.7669883E+00 -2.0957381E+01 | 0.0000000E+00 | -1.5174E+01 |(4.01653E+00)| -2.794452002E-08 | - NaCl 3.9996395E-32 -1.0080997E+02 0.0000000E+00 -7.3706817E+01 | 0.0000000E+00 | -1.7452E+02 | | -6.980042319E-30 | - O2 8.9465967E-69 -2.4673669E+01 0.0000000E+00 -1.5809740E+02 | 0.0000000E+00 | -1.8277E+02 | | -1.635179010E-66 | - -1.212867346E+03 + Cl- 2.1230388E-01 -7.4214139E+01 2.1455995E-01 -2.3945063E+00 |-0.0000000E+00 | -7.2378E+01 |(4.01653E+00)| -1.536603459E+01 | + H2O 9.7165652E-02 -1.2026175E+02 0.0000000E+00 -3.7416336E+00 | 0.0000000E+00 | -1.2400E+02 | | -1.204886924E+01 | + H2 1.8735036E-07 -1.5717224E+01 0.0000000E+00 -1.6900581E+01 | 0.0000000E+00 | -3.2618E+01 | | -6.110957374E-06 | + H+ 1.8416159E-09 0.0000000E+00 1.7669917E+00 -2.0957392E+01 | 0.0000000E+00 | -1.5174E+01 |(4.01653E+00)| -2.794443227E-08 | + NaCl 3.9992758E-32 -1.0081009E+02 0.0000000E+00 -7.3706905E+01 | 0.0000000E+00 | -1.7452E+02 | | -6.979415887E-30 | + O2 8.9458131E-69 -2.4673669E+01 0.0000000E+00 -1.5809748E+02 | 0.0000000E+00 | -1.8277E+02 | | -1.635036559E-66 | + -1.212868628E+03 --------------------------------------------------------------------------------------------------------------------------------------------------- @@ -309,7 +309,7 @@ OH 3.747e-07 9.146e-08 -2.670e+08 NaCl(S) 4.788e+00 1.000e+00 -4.326e+08 ------------------------------------------------------------- *************** NaCl_electrolyte ***************** -Moles: 2.32742 +Moles: 2.32744 NaCl_electrolyte: @@ -333,10 +333,10 @@ Moles: 2.32742 (J/kmol) (J/kmol) ------------- ------------ ------------ ------------ ------------ H2O(L) 0.817565 55.5084 -3.07399e+08 -3.06686e+08 0.917303 - Cl- 0.0912175 6.1932 -1.79421e+08 -1.83974e+08 1.01322 - H+ 7.91271e-10 5.37232e-08 -3.76154e+07 0 4.78537 - Na+ 0.0912175 6.1932 -2.53199e+08 -2.57752e+08 1.01322 - OH- 7.91271e-10 5.37232e-08 -2.69784e+08 -2.26784e+08 0.545262 + Cl- 0.0912177 6.19321 -1.79421e+08 -1.83974e+08 1.01322 + H+ 7.91262e-10 5.37226e-08 -3.76154e+07 0 4.78538 + Na+ 0.0912177 6.19321 -2.53199e+08 -2.57752e+08 1.01322 + OH- 7.91262e-10 5.37226e-08 -2.69784e+08 -2.26784e+08 0.545261 *************** air ***************** Moles: 4.09718 @@ -350,22 +350,22 @@ Moles: 4.09718 1 kg 1 kmol ----------- ------------ - enthalpy -206497 -5.736e+06 J - internal energy -295744 -8.215e+06 J - entropy 6929.48 1.925e+05 J/K - Gibbs function -2.27252e+06 -6.312e+07 J - heat capacity c_p 1052.34 2.923e+04 J/K - heat capacity c_v 753.001 2.092e+04 J/K + enthalpy -206469 -5.735e+06 J + internal energy -295716 -8.214e+06 J + entropy 6929.46 1.925e+05 J/K + Gibbs function -2.27249e+06 -6.312e+07 J + heat capacity c_p 1052.33 2.923e+04 J/K + heat capacity c_v 752.998 2.092e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ - O2 2.1836e-69 2.51554e-69 -182.771 - H2 4.57308e-08 3.31893e-09 -32.6177 + O2 2.18341e-69 2.51533e-69 -182.771 + H2 4.57268e-08 3.31864e-09 -32.6178 CO2 0 0 - H2O 0.0237184 0.0153834 -124.003 - NaCl 9.76193e-33 2.05395e-32 -174.517 - N2 0.976281 0.984617 -23.0692 - OH 9.14616e-08 5.60016e-08 -107.694 + H2O 0.0237153 0.0153814 -124.003 + NaCl 9.76108e-33 2.05377e-32 -174.517 + N2 0.976285 0.984619 -23.0692 + OH 9.14536e-08 5.59966e-08 -107.694 *************** NaCl(S) ***************** Moles: 4.7877 diff --git a/test_problems/cathermo/HMW_graph_GvT/output_blessed.txt b/test_problems/cathermo/HMW_graph_GvT/output_blessed.txt index 887e03e58..f85c45e02 100644 --- a/test_problems/cathermo/HMW_graph_GvT/output_blessed.txt +++ b/test_problems/cathermo/HMW_graph_GvT/output_blessed.txt @@ -13,33 +13,33 @@ Fixed Concentration of the System: T, Pres, Aphi, Delta_G0, Delta_G, molarGibbs0, molarGibbs, Gibbs_ex, meanAC_moll, OsmCoeff-1, Gibbs_ex_Formula, IdealMixing Kelvin, bars, sqrt(kg/gmol), kJ/gmol, kJ/gmol, kJ/kgWater, kJ/kgWater, kJ/kgWater, , , kJ/kgWater, kJ/kgWater - 293.15, 1.01325, 0.388171, -8.81994, 0.0281518, -19715.3, -19699.4, -8.55527, 0.999275857, 0.284828391, -8.55527, 24.4417 - 298.15, 1.01325, 0.391447, -9.04161, -0.00455546, -19738.1, -19721.7, -8.48792, 1.00697377, 0.285503623, -8.48793, 24.8586 - 303.15, 1.01325, 0.394888, -9.2523, -0.0401229, -19761.2, -19744.4, -8.47441, 1.01169426, 0.285149994, -8.47441, 25.2755 - 313.15, 1.01325, 0.402262, -9.64279, -0.119784, -19808.3, -19790.8, -8.60278, 1.01304296, 0.281758709, -8.60278, 26.1092 - 323.15, 1.01325, 0.410293, -9.99482, -0.210534, -19856.7, -19838.6, -8.92949, 1.00500239, 0.275364003, -8.92949, 26.943 - 333.15, 1.01325, 0.418983, -10.311, -0.311811, -19906.1, -19887.8, -9.44562, 0.989182754, 0.266541029, -9.44562, 27.7768 - 343.15, 1.01325, 0.428341, -10.593, -0.422831, -19956.8, -19938.3, -10.1442, 0.967055992, 0.255753666, -10.1442, 28.6105 - 353.15, 1.01325, 0.438377, -10.8421, -0.542633, -20008.5, -19990.1, -11.0202, 0.939922258, 0.243373279, -11.0202, 29.4443 - 363.15, 1.01325, 0.44911, -11.0585, -0.670113, -20061.3, -20043.1, -12.0702, 0.908900029, 0.229693982, -12.0702, 30.278 - 373.15, 1.01418, 0.460559, -11.2422, -0.80406, -20115.2, -20097.4, -13.2927, 0.874931349, 0.214945074, -13.2927, 31.1118 - 383.15, 1.43379, 0.472737, -11.3928, -0.943349, -20170, -20152.8, -14.6866, 0.838832235, 0.199310422, -14.6866, 31.9456 - 393.15, 1.98674, 0.485682, -11.5087, -1.08648, -20225.8, -20209.3, -16.2545, 0.801217017, 0.182913805, -16.2545, 32.7793 - 403.15, 2.7028, 0.499432, -11.5883, -1.23212, -20282.5, -20266.9, -18, 0.762601332, 0.165845486, -18, 33.6131 - 413.15, 3.61539, 0.514026, -11.6294, -1.37896, -20340.1, -20325.6, -19.9283, 0.723396901, 0.148161838, -19.9283, 34.4468 - 423.15, 4.76165, 0.529514, -11.6295, -1.52576, -20398.5, -20385.3, -22.0467, 0.683929685, 0.129889688, -22.0467, 35.2806 - 433.15, 6.18235, 0.545955, -11.5858, -1.67144, -20457.7, -20446, -24.3645, 0.64445611, 0.111029683, -24.3645, 36.1144 - 443.15, 7.92187, 0.563414, -11.4949, -1.8151, -20517.7, -20507.6, -26.8932, 0.605177169, 0.0915587819, -26.8932, 36.9481 - 453.15, 10.0281, 0.581971, -11.3534, -1.95611, -20578.3, -20570.2, -29.6471, 0.566250414, 0.0714319193, -29.6471, 37.7819 - 463.15, 12.5524, 0.601719, -11.1573, -2.09422, -20639.6, -20633.6, -32.6429, 0.527799977, 0.0505828468, -32.6429, 38.6157 - 473.15, 15.5493, 0.622769, -10.9025, -2.22964, -20701.5, -20697.9, -35.9013, 0.489924798, 0.0289240925, -35.9013, 39.4494 - 483.15, 19.0767, 0.645254, -10.5846, -2.36325, -20763.9, -20763.1, -39.4466, 0.452705284, 0.00634592246, -39.4466, 40.2832 - 493.15, 23.1959, 0.669336, -10.199, -2.49675, -20826.8, -20829, -43.3084, 0.416208613, -0.0172859171, -43.3084, 41.1169 - 503.15, 27.9709, 0.695212, -9.74073, -2.63297, -20890.2, -20895.8, -47.5225, 0.380492894, -0.0421340312, -47.5225, 41.9507 - 513.15, 33.4693, 0.723127, -9.20474, -2.77622, -20954, -20963.4, -52.1325, 0.345610386, -0.0683953538, -52.1325, 42.7845 - 523.15, 39.7617, 0.753389, -8.58571, -2.93283, -21018.1, -21031.7, -57.1929, 0.311609996, -0.0963101812, -57.1929, 43.6182 - 533.15, 46.9226, 0.786394, -7.87817, -3.11191, -21082.6, -21100.9, -62.7721, 0.278539266, -0.126175738, -62.7721, 44.452 - 543.15, 55.0299, 0.822655, -7.07643, -3.32643, -21147.3, -21170.9, -68.9579, 0.24644614, -0.158366728, -68.9579, 45.2857 - 553.15, 64.1658, 0.862861, -6.17465, -3.59495, -21212.1, -21241.9, -75.8658, 0.215380867, -0.193367067, -75.8658, 46.1195 - 563.15, 74.4178, 0.907952, -5.16684, -3.94426, -21277.1, -21313.8, -83.6516, 0.1853986, -0.231820303, -83.6516, 46.9533 - 573.15, 85.879, 0.959258, -4.04685, -4.41371, -21342.2, -21386.9, -92.5326, 0.156563632, -0.27461274, -92.5326, 47.787 + 293.15, 1.01325, 0.388171, -8.81994, 0.0281314, -19715.3, -19699.4, -8.55533, 0.999273856, 0.284827963, -8.55531, 24.4417 + 298.15, 1.01325, 0.391448, -9.04161, -0.00457639, -19738.1, -19721.7, -8.48799, 1.00697173, 0.285503193, -8.48797, 24.8586 + 303.15, 1.01325, 0.394889, -9.2523, -0.0401443, -19761.2, -19744.4, -8.47448, 1.0116922, 0.285149559, -8.47446, 25.2755 + 313.15, 1.01325, 0.402263, -9.64279, -0.119806, -19808.3, -19790.8, -8.60286, 1.01304086, 0.281758267, -8.60284, 26.1092 + 323.15, 1.01325, 0.410293, -9.99482, -0.210557, -19856.6, -19838.6, -8.92956, 1.00500026, 0.275363552, -8.92954, 26.943 + 333.15, 1.01325, 0.418984, -10.311, -0.311835, -19906.1, -19887.8, -9.4457, 0.989180616, 0.266540568, -9.44568, 27.7768 + 343.15, 1.01325, 0.428342, -10.593, -0.422856, -19956.8, -19938.3, -10.1443, 0.967053855, 0.255753194, -10.1443, 28.6105 + 353.15, 1.01325, 0.438378, -10.8421, -0.542659, -20008.5, -19990.1, -11.0202, 0.939920132, 0.243372797, -11.0202, 29.4443 + 363.15, 1.01325, 0.449111, -11.0585, -0.670139, -20061.3, -20043.1, -12.0702, 0.908897922, 0.229693487, -12.0702, 30.278 + 373.15, 1.01418, 0.46056, -11.2422, -0.804088, -20115.2, -20097.4, -13.2928, 0.87492927, 0.214944567, -13.2927, 31.1118 + 383.15, 1.43379, 0.472738, -11.3928, -0.943377, -20170, -20152.8, -14.6867, 0.838830189, 0.199309902, -14.6867, 31.9456 + 393.15, 1.98674, 0.485683, -11.5087, -1.08651, -20225.8, -20209.3, -16.2546, 0.801215009, 0.182913271, -16.2546, 32.7793 + 403.15, 2.7028, 0.499432, -11.5883, -1.23215, -20282.5, -20266.9, -18.0001, 0.762599367, 0.165844936, -18, 33.6131 + 413.15, 3.61539, 0.514027, -11.6294, -1.37899, -20340.1, -20325.6, -19.9284, 0.723394983, 0.148161272, -19.9283, 34.4468 + 423.15, 4.76165, 0.529515, -11.6295, -1.52579, -20398.5, -20385.3, -22.0468, 0.683927817, 0.129889106, -22.0468, 35.2806 + 433.15, 6.18235, 0.545956, -11.5858, -1.67148, -20457.7, -20446, -24.3646, 0.644454295, 0.111029083, -24.3646, 36.1144 + 443.15, 7.92187, 0.563415, -11.4949, -1.81513, -20517.7, -20507.6, -26.8933, 0.60517541, 0.0915581618, -26.8933, 36.9481 + 453.15, 10.0281, 0.581972, -11.3534, -1.95615, -20578.3, -20570.2, -29.6472, 0.566248714, 0.0714312787, -29.6472, 37.7819 + 463.15, 12.5524, 0.60172, -11.1573, -2.09425, -20639.6, -20633.6, -32.6431, 0.527798339, 0.0505821845, -32.6431, 38.6157 + 473.15, 15.5493, 0.62277, -10.9025, -2.22968, -20701.5, -20697.9, -35.9014, 0.489923224, 0.0289234071, -35.9014, 39.4494 + 483.15, 19.0767, 0.645255, -10.5846, -2.36329, -20763.9, -20763.1, -39.4468, 0.452703777, 0.00634521229, -39.4468, 40.2832 + 493.15, 23.1959, 0.669337, -10.199, -2.49679, -20826.8, -20829, -43.3086, 0.416207176, -0.0172866537, -43.3086, 41.1169 + 503.15, 27.9709, 0.695214, -9.74073, -2.63301, -20890.2, -20895.8, -47.5226, 0.380491529, -0.0421347963, -47.5226, 41.9507 + 513.15, 33.4693, 0.723128, -9.20474, -2.77626, -20954, -20963.4, -52.1327, 0.345609097, -0.0683961497, -52.1327, 42.7845 + 523.15, 39.7617, 0.753391, -8.58571, -2.93288, -21018.1, -21031.7, -57.1931, 0.311608785, -0.0963110104, -57.1931, 43.6182 + 533.15, 46.9226, 0.786395, -7.87817, -3.11195, -21082.6, -21100.9, -62.7723, 0.278538136, -0.126176604, -62.7723, 44.452 + 543.15, 55.0299, 0.822656, -7.07643, -3.32647, -21147.3, -21170.9, -68.9581, 0.246445094, -0.158367633, -68.9581, 45.2857 + 553.15, 64.1658, 0.862862, -6.17465, -3.59499, -21212.1, -21241.9, -75.866, 0.215379908, -0.193368016, -75.866, 46.1195 + 563.15, 74.4178, 0.907954, -5.16684, -3.9443, -21277.1, -21313.8, -83.6518, 0.185397731, -0.231821303, -83.6519, 46.9533 + 573.15, 85.879, 0.959259, -4.04685, -4.41376, -21342.2, -21386.9, -92.5327, 0.156562857, -0.274613795, -92.5328, 47.787 diff --git a/test_problems/cathermo/HMW_test_1/output_noD_blessed.txt b/test_problems/cathermo/HMW_test_1/output_noD_blessed.txt index 8d4a929ec..59abf1faa 100644 --- a/test_problems/cathermo/HMW_test_1/output_noD_blessed.txt +++ b/test_problems/cathermo/HMW_test_1/output_noD_blessed.txt @@ -36,23 +36,23 @@ a2 = 3.04284e-10 OH- 7.5986e-07 0.54365 2.06431e-08 1.3977e-06 Species Standard chemical potentials (kJ/gmol) ------------------------------------------------------------ - H2O(L) -306.685777 - Cl- -131.066575 + H2O(L) -306.685728 + Cl- -131.066416 H+ 0 - Na+ -311.162266 - OH- -226.881844 + Na+ -311.16189 + OH- -226.88157 ------------------------------------------------------------ Some DeltaSS values: Delta(mu_0) - NaCl(S): Na+ + Cl- -> NaCl(S): 9.59844 kJ/gmol - : 3.871963 (dimensionless) - : 1.681572 (dimensionless/ln10) + NaCl(S): Na+ + Cl- -> NaCl(S): 9.597906 kJ/gmol + : 3.871747 (dimensionless) + : 1.681478 (dimensionless/ln10) G0(NaCl(S)) = -432.6304 (fixed) - G0(Na+) = -311.1623 - G0(Cl-) = -131.0666 - OH-: H2O(L) - H+ -> OH-: 79.80393 kJ/gmol - : 32.19251 (dimensionless) - : 13.98103 (dimensionless/ln10) - G0(OH-) = -226.8818 + G0(Na+) = -311.1619 + G0(Cl-) = -131.0664 + OH-: H2O(L) - H+ -> OH-: 79.80416 kJ/gmol + : 32.1926 (dimensionless) + : 13.98107 (dimensionless/ln10) + G0(OH-) = -226.8816 G0(H+) = 0 - G0(H2O(L)) = -306.6858 + G0(H2O(L)) = -306.6857 ------------------------------------------------------------ diff --git a/test_problems/cathermo/HMW_test_3/output_noD_blessed.txt b/test_problems/cathermo/HMW_test_3/output_noD_blessed.txt index ad9c54a6a..e1a494754 100644 --- a/test_problems/cathermo/HMW_test_3/output_noD_blessed.txt +++ b/test_problems/cathermo/HMW_test_3/output_noD_blessed.txt @@ -37,17 +37,17 @@ Index Name MoleF MolalityCropped Charge OH- 6.51352e-07 0.466017 2.06431e-08 1.3977e-06 Species Standard chemical potentials (kJ/gmol) ------------------------------------------------------------ - H2O(L) -317.175857 - Cl- -186.016505 + H2O(L) -317.175788 + Cl- -186.016281 H+ 0 - Na+ -441.617685 - OH- -322.002524 + Na+ -441.617151 + OH- -322.002134 ------------------------------------------------------------ Some DeltaSS values: Delta(mu_0) - NaCl(S): Na+ + Cl- -> NaCl(S): 195.0038 kJ/gmol - : 78.66355 (dimensionless) - : 34.16315 (dimensionless/ln10) - OH-: H2O(L) - H+ -> OH-: -4.826667 kJ/gmol - : -1.947053 (dimensionless) - : -0.8455945 (dimensionless/ln10) + NaCl(S): Na+ + Cl- -> NaCl(S): 195.003 kJ/gmol + : 78.66325 (dimensionless) + : 34.16301 (dimensionless/ln10) + OH-: H2O(L) - H+ -> OH-: -4.826346 kJ/gmol + : -1.946924 (dimensionless) + : -0.8455383 (dimensionless/ln10) ------------------------------------------------------------ diff --git a/test_problems/diamondSurf/runDiamond_blessed.out b/test_problems/diamondSurf/runDiamond_blessed.out index 99d1b45ac..3bca4e239 100644 --- a/test_problems/diamondSurf/runDiamond_blessed.out +++ b/test_problems/diamondSurf/runDiamond_blessed.out @@ -2,7 +2,7 @@ Number of species = 4 Number of species in diamond = 1 Number of species in diamond_100 = 8 Number of reactions = 20 -0 1 -8.95751e-05 +0 1 -8.95749e-05 1 2 4.48403e-05 2 3 -3.51539e-08 3 4 nil @@ -21,8 +21,8 @@ Coverages: 0 c6HH 0.462262 1 c6H* 0.037052 2 c6*H 0.474283 -3 c6** 0.0219445 -4 c6HM 0.00174648 +3 c6** 0.0219442 +4 c6HM 0.00174652 5 c6HM* 2.56272e-05 6 c6*M 0.00264858 7 c6B 3.8171e-05 diff --git a/test_problems/negATest/negATest_blessed.out b/test_problems/negATest/negATest_blessed.out index 5c5c850eb..4aa61c7bf 100644 --- a/test_problems/negATest/negATest_blessed.out +++ b/test_problems/negATest/negATest_blessed.out @@ -1,20 +1,20 @@ Number of species = 12 Number of reactions = 12 -rop [ 0000:O ] = 0.44705 -rop [ 0001:O2 ] = -0.0021443 -rop [ 0002:N ] = 0 -rop [ 0003:NO ] = -279.36 -rop [ 0004:NO2 ] = 0.0021432 -rop [ 0005:N2O ] = 278.92 -rop [ 0006:N2 ] = 0.4449 -rop [ 0007:NH ] = -279.36 -rop [ 0008:H ] = 279.36 -rop [ 0009:H2O ] = 0 -rop [ 0010:NH2 ] = 0 -rop [ 0011:AR ] = 0 +rop [ 0:O ] = 0.447052 +rop [ 1:O2 ] = -0.0021443 +rop [ 2:N ] = 0 +rop [ 3:NO ] = -279.361 +rop [ 4:NO2 ] = 0.00214319 +rop [ 5:N2O ] = 278.914 +rop [ 6:N2 ] = 0.444906 +rop [ 7:NH ] = -279.359 +rop [ 8:H ] = 279.359 +rop [ 9:H2O ] = 0 +rop [ 10:NH2 ] = 0 +rop [ 11:AR ] = 0 number of reactions = 12 -fwd_rop[ 0] = 479.305 rev_rop[ 0] = 97.9402 -fwd_rop[ 1] = -128.202 rev_rop[ 1] = -26.1965 +fwd_rop[ 0] = 479.304 rev_rop[ 0] = 97.94 +fwd_rop[ 1] = -128.201 rev_rop[ 1] = -26.1964 fwd_rop[ 2] = 0 rev_rop[ 2] = 0 fwd_rop[ 3] = -0 rev_rop[ 3] = -0 fwd_rop[ 4] = 0 rev_rop[ 4] = 1.10334e-06 @@ -22,6 +22,6 @@ fwd_rop[ 5] = 0 rev_rop[ 5] = 0 fwd_rop[ 6] = 0 rev_rop[ 6] = 0 fwd_rop[ 7] = 0 rev_rop[ 7] = 0 fwd_rop[ 8] = 0 rev_rop[ 8] = 6.58592e-06 -fwd_rop[ 9] = 0.4449 rev_rop[ 9] = 0 +fwd_rop[ 9] = 0.444906 rev_rop[ 9] = 0 fwd_rop[ 10] = 0 rev_rop[ 10] = 0 -fwd_rop[ 11] = 0 rev_rop[ 11] = 0.0021432 +fwd_rop[ 11] = 0 rev_rop[ 11] = 0.00214319 diff --git a/test_problems/pureFluidTest/output_blessed.txt b/test_problems/pureFluidTest/output_blessed.txt index 0b55c2ae6..a67356e6e 100644 --- a/test_problems/pureFluidTest/output_blessed.txt +++ b/test_problems/pureFluidTest/output_blessed.txt @@ -1,4 +1,4 @@ -psat(273.16) = 610.2 +psat(273.16) = 610.157 Comparisons to NIST: (see http://webbook.nist.gov): H0(298.15) = -2.41825e+08 J/kmol @@ -7,10 +7,10 @@ S0(298.15) = 188938 J/kmolK Ideal Gas Standard State: T Cp0 S0 -(G0-H298)/T H0-H298 (K) (J/molK) (J/molK) (J/molK) (kJ/mol) - 298.15 33.5708 188.9 188.9 0 - 500 35.2032 206.6 192.8 6.922 - 600 36.2894 213.1 195.7 10.5 - 1000 41.2083 232.8 206.8 25.98 + 298.15 33.5708 188.938 188.938 0 + 500 35.2032 206.631 192.787 6.92212 + 600 36.2894 213.144 195.651 10.4959 + 1000 41.2083 232.809 206.831 25.9778 H_liq(298.15, onebar) = -2.85839e+08 J/kmol @@ -19,22 +19,22 @@ S_liq(298.15, onebar) = 70033.8 J/kmolK Liquid 1bar or psat Standard State T press psat Cp0 S0 -(G0-H298)/T H0-H298 (K) (bar) (bar) (J/molK) (J/molK) (J/molK) (kJ/mol) - 273.19 1 0.00611488 75.66 63.42 70.33 -1.887 - 298.15 1 0.0316222 75.35 70.03 70.03 0 - 300 1 0.0352821 75.32 70.5 70.04 0.1394 - 373.15 1.01429 1.01227 75.95 86.96 71.8 5.658 - 400 2.45845 2.45354 76.73 92.26 72.99 7.709 - 500 26.4023 26.3496 83.78 109.9 78.55 15.68 + 273.19 1 0.00611488 75.6592 63.4244 70.331 -1.88682 + 298.15 1 0.0316222 75.3497 70.0338 70.0338 0 + 300 1 0.0352821 75.3212 70.4998 70.0352 0.13937 + 373.15 1.01429 1.01227 75.9509 86.9591 71.7957 5.65822 + 400 2.45845 2.45354 76.7271 92.2588 72.9863 7.70899 + 500 26.4023 26.3496 83.779 109.914 78.5506 15.6817 Liquid Densities: T press psat Density molarVol (K) (bar) (bar) (kg/m3) (m3/kmol) - 273.19 1 0.00611488 999.8 0.01802 - 298.15 1 0.0316222 997.1 0.01807 - 300 1 0.0352821 996.6 0.01808 - 373.15 1.01429 1.01227 958.3 0.0188 - 400 2.45845 2.45354 937.5 0.01922 - 500 26.4023 26.3496 831.5 0.02167 + 273.19 1 0.00611488 999.824 0.0180192 + 298.15 1 0.0316222 997.121 0.018068 + 300 1 0.0352821 996.633 0.0180769 + 373.15 1.01429 1.01227 958.305 0.0187999 + 400 2.45845 2.45354 937.491 0.0192172 + 500 26.4023 26.3496 831.472 0.0216676 Table of increasing Enthalpy at 1 atm @@ -46,23 +46,23 @@ Table of increasing Enthalpy at 1 atm -1.56665e+07, 345.851, 0, 976.14, 4507.6, -1.7225e+07 -1.55665e+07, 369.663, 0, 960.78, 4787.2, -1.7336e+07 -1.54665e+07, 373.177, 0.0377465, 15.583, 5055.4, -1.7353e+07 - -1.53665e+07, 373.177, 0.0820536, 7.2323, 5323.3, -1.7353e+07 + -1.53665e+07, 373.177, 0.0820536, 7.2323, 5323.4, -1.7353e+07 -1.52665e+07, 373.177, 0.126361, 4.7088, 5591.3, -1.7353e+07 -1.51665e+07, 373.177, 0.170668, 3.4908, 5859.3, -1.7353e+07 - -1.50665e+07, 373.177, 0.214975, 2.7734, 6127.2, -1.7353e+07 + -1.50665e+07, 373.177, 0.214975, 2.7734, 6127.3, -1.7353e+07 -1.49665e+07, 373.177, 0.259282, 2.3006, 6395.2, -1.7353e+07 -1.48665e+07, 373.177, 0.303589, 1.9655, 6663.2, -1.7353e+07 -1.47665e+07, 373.177, 0.347897, 1.7157, 6931.2, -1.7353e+07 -1.46665e+07, 373.177, 0.392204, 1.5222, 7199.1, -1.7353e+07 -1.45665e+07, 373.177, 0.436511, 1.3679, 7467.1, -1.7353e+07 -1.44665e+07, 373.177, 0.480818, 1.242, 7735.1, -1.7353e+07 - -1.43665e+07, 373.177, 0.525125, 1.1373, 8003, -1.7353e+07 + -1.43665e+07, 373.177, 0.525125, 1.1373, 8003.1, -1.7353e+07 -1.42665e+07, 373.177, 0.569432, 1.0489, 8271, -1.7353e+07 -1.41665e+07, 373.177, 0.613739, 0.97328, 8539, -1.7353e+07 - -1.40665e+07, 373.177, 0.658047, 0.90781, 8806.9, -1.7353e+07 + -1.40665e+07, 373.177, 0.658047, 0.90781, 8807, -1.7353e+07 -1.39665e+07, 373.177, 0.702354, 0.85059, 9074.9, -1.7353e+07 -1.38665e+07, 373.177, 0.746661, 0.80016, 9342.9, -1.7353e+07 - -1.37665e+07, 373.177, 0.790968, 0.75537, 9610.8, -1.7353e+07 + -1.37665e+07, 373.177, 0.790968, 0.75537, 9610.9, -1.7353e+07 -1.36665e+07, 373.177, 0.835275, 0.71533, 9878.8, -1.7353e+07 -1.35665e+07, 373.177, 0.879582, 0.67932, 10147, -1.7353e+07 -1.34665e+07, 373.177, 0.923889, 0.64677, 10415, -1.7353e+07 diff --git a/test_problems/python/frac_blessed.out b/test_problems/python/frac_blessed.out index 40d9ccd43..062385e57 100644 --- a/test_problems/python/frac_blessed.out +++ b/test_problems/python/frac_blessed.out @@ -24,7 +24,7 @@ Forward rate constants: [ 1.00000000e+13 3.98107200e+04] Fwd rate of progress, kf*concentration product, difference: -1.57504383393e-08 1.57504383393e-08 0.0 +1.57505106844e-08 1.57505106844e-08 0.0 Reactant stoichiometric coefficients: [[ 0. 0.7] diff --git a/test_problems/python/tut2/output_blessed.txt b/test_problems/python/tut2/output_blessed.txt index b5d7e2b3e..01e8c731f 100644 --- a/test_problems/python/tut2/output_blessed.txt +++ b/test_problems/python/tut2/output_blessed.txt @@ -4,4 +4,4 @@ [ 0.9 0.1 0. 0. 0. 0. 0. 0. ] --58790420.4878 95433464.4456 +-58790419.2171 95433492.2147 diff --git a/test_problems/rankine_democxx/output_blessed.txt b/test_problems/rankine_democxx/output_blessed.txt index 4503b6b4b..05a5f0f18 100644 --- a/test_problems/rankine_democxx/output_blessed.txt +++ b/test_problems/rankine_democxx/output_blessed.txt @@ -1,6 +1,6 @@ 1 300 101325 -1.58581e+07 3913.2 0 2s 300.014 800000 -1.58574e+07 3913.2 0 - 2 300.126 800000 -1.5857e+07 3914.75 0 + 2 300.126 800000 -1.58569e+07 3914.73 0 3 443.624 800000 -1.32016e+07 10183 1 4s 373.177 101325 -1.3553e+07 10183 0.89 4 373.177 101325 -1.34827e+07 10371.3 0.92 diff --git a/test_problems/surfSolverTest/results2_blessed.txt b/test_problems/surfSolverTest/results2_blessed.txt index 415432bfc..0d95a2810 100644 --- a/test_problems/surfSolverTest/results2_blessed.txt +++ b/test_problems/surfSolverTest/results2_blessed.txt @@ -3,16 +3,16 @@ Gas Pressure = 1.01e+05 Gas Phase: gas (0) Name Conc MoleF SrcRate (kmol/m^3) (kmol/m^2/s) - 0 H 8.69601e-05 0.00999001 -2.365628e-03 + 0 H 8.69602e-05 0.00999001 -2.365619e-03 1 N2 0.00773858 0.889011 0.000000e+00 2 CH3 0 0 0.000000e+00 3 CH4 8.69601e-05 0.00999001 0.000000e+00 - 4 C2H2 8.69601e-05 0.00999001 -1.007796e-04 - 5 H2 0.00034784 0.03996 1.282503e-03 - 6 OH 8.69601e-07 9.99001e-05 -7.542496e-05 - 7 H2O 0.00034784 0.03996 3.880305e-05 + 4 C2H2 8.69602e-05 0.00999001 -1.007791e-04 + 5 H2 0.000347841 0.03996 1.282498e-03 + 6 OH 8.69602e-07 9.99001e-05 -7.542502e-05 + 7 H2O 0.000347841 0.03996 3.880308e-05 8 CO 0 0 3.843405e-05 - 9 O2 8.69601e-06 0.000999001 -9.060705e-07 + 9 O2 8.69602e-06 0.000999001 -9.060640e-07 Sum of gas mole fractions= 1 Bulk Phase: soot (10) @@ -20,7 +20,7 @@ Bulk Temperature = 1.4e+03 Bulk Pressure = 1.01e+05 Name Conc MoleF SrcRate (kmol/m^3) (kmol/m^2/s) - 0 CB-CB3 293.065 1 1.631252e-04 + 0 CB-CB3 293.065 1 1.631241e-04 Bulk Weight Growth Rate = 0.00196 kg/m^2/s Bulk Growth Rate = 5.57e-07 m/s Bulk Growth Rate = 2e+03 microns / hour