Tutorial 4: Chemical Equilibrium gri30: temperature 2553.99 K pressure 871585 Pa density 1.12476 kg/m^3 mean mol. weight 27.4035 amu 1 kg 1 kmol ----------- ------------ enthalpy 442380 1.212e+07 J internal energy -332524 -9.112e+06 J entropy 9442.41 2.588e+05 J/K Gibbs function -2.36735e+07 -6.487e+08 J heat capacity c_p 1525.44 4.18e+04 J/K heat capacity c_v 1222.03 3.349e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ H2 0.00402506 0.000296094 -23.6485 H 0.000686819 2.52622e-05 -11.8243 O 0.000717033 0.000418636 -15.946 O2 0.0125283 0.0146292 -31.8921 OH 0.00645067 0.00400346 -27.7703 H2O 0.172006 0.113078 -39.5946 HO2 4.45917e-06 5.37094e-06 -43.7164 H2O2 4.48786e-07 5.57057e-07 -55.5406 C 1.99153e-15 8.72891e-16 -20.1289 CH 3.95063e-16 1.87688e-16 -31.9532 CH2 8.18284e-16 4.1885e-16 -43.7774 CH2(S) 6.40708e-17 3.27956e-17 -43.7774 CH3 2.91227e-15 1.5978e-15 -55.6017 CH4 9.67268e-16 5.66265e-16 -67.426 CO 0.0116016 0.0118585 -36.075 CO2 0.0781996 0.125588 -52.021 HCO 9.11292e-09 9.64993e-09 -47.8992 CH2O 1.63044e-10 1.78649e-10 -59.7235 CH2OH 3.04813e-15 3.45198e-15 -71.5477 CH3O 6.06821e-17 6.8722e-17 -71.5477 CH3OH 2.12474e-16 2.4844e-16 -83.372 C2H 1.8502e-21 1.68995e-21 -52.0821 C2H2 1.3533e-19 1.28586e-19 -63.9064 C2H3 4.93909e-24 4.87462e-24 -75.7306 C2H4 2.85012e-24 2.91775e-24 -87.5549 C2H5 1.49568e-28 1.58618e-28 -99.3791 C2H6 8.26066e-30 9.06435e-30 -111.203 HCCO 8.47241e-18 1.26851e-17 -68.0282 CH2CO 7.31707e-18 1.12245e-17 -79.8524 HCCOH 1.81733e-20 2.7878e-20 -79.8524 N 1.37429e-07 7.02442e-08 -12.9886 NH 2.98445e-08 1.63521e-08 -24.8129 NH2 1.13822e-08 6.65507e-09 -36.6371 NH3 1.8813e-08 1.16918e-08 -48.4614 NNH 1.31918e-08 1.39706e-08 -37.8015 NO 0.0058614 0.00641808 -28.9347 NO2 3.54907e-06 5.95825e-06 -44.8807 N2O 9.11472e-07 1.46392e-06 -41.9233 HNO 3.64973e-07 4.1306e-07 -40.7589 CN 2.47152e-12 2.34654e-12 -33.1176 HCN 2.62815e-10 2.59191e-10 -44.9418 H2CN 5.07125e-16 5.18786e-16 -56.7661 HCNN 5.50768e-19 8.24689e-19 -57.9305 HCNO 9.17241e-15 1.44012e-14 -60.8879 HOCN 2.67831e-11 4.2051e-11 -60.8879 HNCO 4.55228e-09 7.14734e-09 -60.8879 NCO 3.40139e-10 5.21526e-10 -49.0636 N2 0.707914 0.723671 -25.9773 AR 0 0 C3H7 3.06134e-42 4.81357e-42 -143.157 C3H8 1.58019e-43 2.54277e-43 -154.981 CH2CHO 1.51542e-22 2.38041e-22 -91.6767 CH3CHO 2.467e-23 3.96589e-23 -103.501 gri30: temperature 302.065 K pressure 102023 Pa density 1.12476 kg/m^3 mean mol. weight 27.6886 amu 1 kg 1 kmol ----------- ------------ enthalpy -2.87007e+06 -7.947e+07 J internal energy -2.96078e+06 -8.198e+07 J entropy 7232.24 2.003e+05 J/K Gibbs function -5.05468e+06 -1.4e+08 J heat capacity c_p 1107.01 3.065e+04 J/K heat capacity c_v 806.725 2.234e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ H2 5.90483e-40 4.29903e-41 -106.038 H 1.84877e-55 6.73003e-57 -53.0191 O 9.0363e-42 5.22148e-42 -14.6591 O2 0.0095511 0.0110379 -29.3182 OH 2.50192e-27 1.53677e-27 -67.6782 H2O 0.181471 0.118072 -120.697 HO2 1.08385e-26 1.29203e-26 -82.3374 H2O2 9.10306e-24 1.11829e-23 -135.356 C 6.41426e-184 2.78243e-184 -155.469 CH 5.25322e-185 2.47002e-185 -208.488 CH2 5.47296e-172 2.77257e-172 -261.508 CH2(S) 9.38167e-179 4.7527e-179 -261.508 CH3 1.35417e-152 7.35309e-153 -314.527 CH4 1.02022e-137 5.91116e-138 -367.546 CO 3.53618e-45 3.57728e-45 -170.128 CO2 0.0907354 0.14422 -184.788 HCO 3.47186e-93 3.63859e-93 -223.148 CH2O 1.8281e-90 1.98244e-90 -276.167 CH2OH 2.01279e-128 2.256e-128 -329.186 CH3O 1.4089e-134 1.57913e-134 -329.186 CH3OH 1.90738e-119 2.20728e-119 -382.205 C2H 1.46931e-245 1.32823e-245 -363.958 C2H2 8.7204e-211 8.20052e-211 -416.977 C2H3 1.84636e-244 1.8035e-244 -469.996 C2H4 1.707e-225 1.72951e-225 -523.015 C2H5 1.65232e-258 1.73426e-258 -576.034 C2H6 1.88561e-247 2.04776e-247 -629.053 HCCO 5.94429e-183 8.80832e-183 -378.617 CH2CO 2.64899e-167 4.02174e-167 -431.636 HCCOH 2.00585e-189 3.04531e-189 -431.636 N 1.57223e-79 7.95338e-80 -11.6787 NH 4.43286e-81 2.4038e-81 -64.6979 NH2 7.06614e-75 4.08898e-75 -117.717 NH3 7.13572e-57 4.389e-57 -170.736 NNH 2.55443e-65 2.67739e-65 -76.3766 NO 6.09712e-17 6.60745e-17 -26.3378 NO2 6.67842e-12 1.10964e-11 -40.9969 N2O 7.38477e-20 1.17386e-19 -38.0165 HNO 4.98645e-42 5.58533e-42 -79.357 CN 1.35859e-138 1.27661e-138 -167.148 HCN 1.99985e-108 1.95197e-108 -220.167 H2CN 1.98671e-150 2.01146e-150 -273.186 HCNN 2.89515e-168 4.2904e-168 -231.846 HCNO 1.30238e-119 2.02376e-119 -234.826 HOCN 5.01923e-88 7.79933e-88 -234.826 HNCO 1.0136e-69 1.57503e-69 -234.826 NCO 2.43922e-90 3.70149e-90 -181.807 N2 0.718243 0.72667 -23.3574 AR 0 0 C3H7 0 0 C3H8 0 0 CH2CHO 1.45246e-201 2.25803e-201 -484.655 CH3CHO 1.03051e-191 1.63957e-191 -537.674 gri30: temperature 301.504 K pressure 101325 Pa density 1.11915 kg/m^3 mean mol. weight 27.6886 amu 1 kg 1 kmol ----------- ------------ enthalpy -2.8707e+06 -7.949e+07 J internal energy -2.96123e+06 -8.199e+07 J entropy 7232.24 2.003e+05 J/K Gibbs function -5.05124e+06 -1.399e+08 J heat capacity c_p 1106.87 3.065e+04 J/K heat capacity c_v 806.589 2.233e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ H2 4.95198e-40 3.60531e-41 -106.221 H 1.44518e-55 5.26084e-57 -53.1105 O 7.53699e-42 4.35513e-42 -14.6625 O2 0.0095511 0.0110379 -29.325 OH 2.22527e-27 1.36684e-27 -67.773 H2O 0.181471 0.118072 -120.884 HO2 9.80017e-27 1.16825e-26 -82.4355 H2O2 8.38635e-24 1.03024e-23 -135.546 C 2.83435e-184 1.22951e-184 -155.761 CH 2.31463e-185 1.08832e-185 -208.872 CH2 2.56229e-172 1.29804e-172 -261.982 CH2(S) 4.27158e-179 2.16396e-179 -261.982 CH3 6.94155e-153 3.76924e-153 -315.093 CH4 5.6254e-138 3.25935e-138 -368.203 CO 2.87641e-45 2.90985e-45 -170.424 CO2 0.0907354 0.14422 -185.086 HCO 2.30169e-93 2.41223e-93 -223.534 CH2O 1.23682e-90 1.34124e-90 -276.645 CH2OH 1.15914e-128 1.2992e-128 -329.755 CH3O 7.92983e-135 8.88799e-135 -329.755 CH3OH 1.1511e-119 1.3321e-119 -382.866 C2H 4.94791e-246 4.47281e-246 -364.633 C2H2 3.44386e-211 3.23855e-211 -417.743 C2H3 6.31093e-245 6.16442e-245 -470.854 C2H4 6.39694e-226 6.4813e-226 -523.964 C2H5 5.38052e-259 5.64735e-259 -577.075 C2H6 6.51226e-248 7.07227e-248 -630.186 HCCO 2.66183e-183 3.94433e-183 -379.295 CH2CO 1.27936e-167 1.94234e-167 -432.406 HCCOH 8.82312e-190 1.33954e-189 -432.406 N 1.11102e-79 5.62026e-80 -11.6821 NH 3.11519e-81 1.68927e-81 -64.7926 NH2 5.12159e-75 2.96372e-75 -117.903 NH3 5.63155e-57 3.46383e-57 -171.014 NNH 1.93738e-65 2.03064e-65 -76.4748 NO 5.69799e-17 6.17492e-17 -26.3446 NO2 6.48898e-12 1.07817e-11 -41.0071 N2O 6.92732e-20 1.10114e-19 -38.0267 HNO 4.20597e-42 4.71112e-42 -79.4551 CN 7.35311e-139 6.90939e-139 -167.443 HCN 1.24128e-108 1.21156e-108 -220.554 H2CN 1.03223e-150 1.04509e-150 -273.664 HCNN 1.40062e-168 2.07561e-168 -232.236 HCNO 7.81927e-120 1.21503e-119 -235.216 HOCN 3.45118e-88 5.36277e-88 -235.216 HNCO 7.54112e-70 1.17181e-69 -235.216 NCO 1.65202e-90 2.50692e-90 -182.106 N2 0.718243 0.72667 -23.3642 AR 0 0 C3H7 0 0 C3H8 0 0 CH2CHO 6.06557e-202 9.42964e-202 -485.516 CH3CHO 4.52646e-192 7.2017e-192 -538.627 0 2.4e-06 2.4e-06 1 4.58e-06 4.58e-06 2 0.141 0.141 3 0.00013 0.00013 4 8.95e-06 8.95e-06 5 1.97e-16 1.97e-16 6 6.97e-16 6.97e-16 7 7.66e-18 7.66e-18 8 7.66e-18 7.66e-18 9 2.49e-15 2.49e-15 10 3.01e-16 3.01e-16 11 0.0001 0.0001 12 6.15e-08 6.15e-08 13 6.15e-08 6.15e-08 14 4.82e-10 4.82e-10 15 5.69e-16 5.69e-16 16 8.84e-18 8.84e-18 17 1.75e-16 1.75e-16 18 3.78e-17 3.78e-17 19 5.93e-23 5.93e-23 20 1.2e-20 1.2e-20 21 3.31e-22 3.31e-22 22 6.15e-21 6.15e-21 23 4.38e-26 4.38e-26 24 2.09e-26 2.09e-26 25 2.22e-31 2.22e-31 26 3.88e-32 3.88e-32 27 3.75e-18 3.75e-18 28 6.89e-20 6.89e-20 29 5.56e-20 5.56e-20 30 6.44e-05 6.44e-05 31 1.16e-11 1.16e-11 32 0.000218 0.000218 33 6.59e-06 6.59e-06 34 0.00239 0.00239 35 0.000555 0.000555 37 0.226 0.226 38 2.98e-06 2.98e-06 39 1.45e-08 1.45e-08 40 6.29e-06 6.29e-06 41 8.72e-08 8.72e-08 42 0.000792 0.000792 43 1.93e-05 1.93e-05 44 0.000199 0.000199 45 0.000413 0.000413 46 7.46e-06 7.46e-06 47 1.86e-06 1.86e-06 48 4.98e-16 4.98e-16 49 2.99e-18 2.99e-18 50 1.34e-17 1.34e-17 51 6.52e-17 6.52e-17 52 2.56e-16 2.56e-16 53 9.26e-11 9.26e-11 54 1.32e-07 1.32e-07 55 3.92e-13 3.92e-13 56 1.26e-14 1.26e-14 57 1.65e-09 1.65e-09 58 1.99e-18 1.99e-18 59 9.94e-16 9.94e-16 60 1.3e-15 1.3e-15 61 7.09e-16 7.09e-16 62 2.09e-20 2.09e-20 63 5.73e-18 5.73e-18 64 1.54e-17 1.54e-17 65 5.56e-17 5.56e-17 66 2.7e-17 2.7e-17 67 2.05e-16 2.05e-16 68 5.07e-17 5.07e-17 69 7.99e-25 7.99e-25 70 5.93e-24 5.93e-24 71 7.98e-28 7.98e-28 72 3.82e-26 3.82e-26 73 3.23e-29 3.23e-29 74 2.67e-26 2.67e-26 75 6.47e-33 6.47e-33 76 1.74e-32 1.74e-32 77 2.44e-32 2.44e-32 78 3.27e-18 3.27e-18 79 3.01e-19 3.01e-19 80 1.95e-19 1.95e-19 81 3.29e-22 3.29e-22 82 9.89e-11 9.89e-11 83 1.85 1.85 84 0.00642 0.00642 85 1.68 1.68 86 0.00123 0.00123 87 1.02e-05 1.02e-05 88 0.0111 0.0111 89 1.65e-14 1.65e-14 90 1.2e-15 1.2e-15 91 2.02e-15 2.02e-15 92 2.74e-15 2.74e-15 93 1.77e-16 1.77e-16 94 1.33e-16 1.33e-16 95 2.03e-15 2.03e-15 96 8.84e-15 8.84e-15 97 2.6e-15 2.6e-15 98 0.256 0.256 99 1.19e-06 1.19e-06 100 1.07e-08 1.07e-08 101 3.29e-15 3.29e-15 102 5.12e-17 5.12e-17 103 3.97e-16 3.97e-16 104 1.01e-15 1.01e-15 105 2.75e-22 2.75e-22 106 9.78e-22 9.78e-22 107 3.61e-21 3.61e-21 108 2.14e-20 2.14e-20 109 5.83e-23 5.83e-23 110 8.45e-26 8.45e-26 111 1.53e-25 1.53e-25 112 2.5e-31 2.5e-31 113 2.38e-18 2.38e-18 114 3.84e-09 3.84e-09 115 5.4e-07 5.4e-07 116 5.44e-19 5.44e-19 117 1.53e-19 1.53e-19 118 5.8e-18 5.8e-18 119 7.69e-05 7.69e-05 120 1.48e-13 1.48e-13 121 5.93e-14 5.93e-14 122 5.97e-30 5.97e-30 123 3.37e-29 3.37e-29 124 9.47e-15 9.47e-15 125 1.29e-15 1.29e-15 126 1.6e-14 1.6e-14 127 5.77e-31 5.77e-31 128 2.44e-30 2.44e-30 129 2.07e-30 2.07e-30 130 2.48e-18 2.48e-18 131 5.75e-15 5.75e-15 132 4.92e-24 4.92e-24 133 3.1e-33 3.1e-33 135 2.8e-17 2.8e-17 136 3.74e-30 3.74e-30 137 8.22e-30 8.22e-30 138 1.53e-31 1.53e-31 139 3.87e-18 3.87e-18 140 4.7e-33 4.7e-33 141 1.84e-14 1.84e-14 143 5.85e-16 5.85e-16 144 2.51e-16 2.51e-16 145 2.53e-16 2.53e-16 146 8.92e-17 8.92e-17 147 1.05e-14 1.05e-14 148 1.65e-31 1.65e-31 149 9.31e-32 9.31e-32 150 8.23e-17 8.23e-17 151 1.18e-15 1.18e-15 152 2.36e-15 2.36e-15 153 6.87e-48 6.87e-48 154 6.48e-17 6.48e-17 155 4.35e-17 4.35e-17 156 1.52e-20 1.52e-20 157 4.24e-31 4.24e-31 158 1.5e-30 1.5e-30 159 1.28e-21 1.28e-21 160 1.38e-24 1.38e-24 161 3.02e-32 3.02e-32 162 1.01e-32 1.01e-32 163 4.21e-42 4.21e-42 164 5.25e-48 5.25e-48 165 1.93e-05 1.93e-05 166 1.24e-05 1.24e-05 167 1.03e-06 1.03e-06 168 3.4e-14 3.4e-14 169 8.46e-16 8.46e-16 170 5.77e-22 5.77e-22 171 3.06e-22 3.06e-22 172 4.92e-26 4.92e-26 173 2.85e-26 2.85e-26 174 1.4e-31 1.4e-31 175 4.03e-18 4.03e-18 176 6.74e-36 6.74e-36 177 1.89e-05 1.89e-05 178 1.35e-05 1.35e-05 179 2.65e-05 2.65e-05 180 1.32e-07 1.32e-07 181 1.6e-07 1.6e-07 182 4.99e-06 4.99e-06 183 2.07e-07 2.07e-07 184 1.13e-05 1.13e-05 185 0.000156 0.000156 186 0.000483 0.000483 187 2.55e-05 2.55e-05 188 0.000658 0.000658 189 3.93e-07 3.93e-07 190 2.55e-07 2.55e-07 191 2.28e-06 2.28e-06 192 2.32e-06 2.32e-06 193 1.99e-07 1.99e-07 194 5.15e-08 5.15e-08 195 5.27e-12 5.27e-12 196 5.57e-06 5.57e-06 197 3.69e-07 3.69e-07 198 1.15e-06 1.15e-06 199 9.77e-09 9.77e-09 200 1.27e-07 1.27e-07 201 4.92e-08 4.92e-08 202 3.86e-07 3.86e-07 203 0.000797 0.000797 204 0.000471 0.000471 205 7.12e-07 7.12e-07 206 8.71e-08 8.71e-08 207 2.44e-07 2.44e-07 208 1.52e-07 1.52e-07 209 8.07e-07 8.07e-07 210 2.05e-21 2.05e-21 211 0.000301 0.000301 212 6.65e-06 6.65e-06 213 4.57e-05 4.57e-05 214 0.000111 0.000111 215 5.48e-06 5.48e-06 216 8.71e-12 8.71e-12 217 5.24e-11 5.24e-11 218 1.11e-10 1.11e-10 219 3.14e-11 3.14e-11 220 2.15e-11 2.15e-11 221 1.2e-09 1.2e-09 222 2.42e-09 2.42e-09 223 1.48e-09 1.48e-09 224 3.66e-14 3.66e-14 225 4.22e-11 4.22e-11 226 4.86e-10 4.86e-10 227 7e-10 7e-10 228 3.44e-10 3.44e-10 229 5.22e-14 5.22e-14 230 1.29e-10 1.29e-10 231 3.22e-11 3.22e-11 232 4.96e-11 4.96e-11 233 1.08e-10 1.08e-10 234 1.25e-11 1.25e-11 235 2.52e-12 2.52e-12 236 1.16e-13 1.16e-13 237 1.08e-20 1.08e-20 238 1.26e-16 1.26e-16 239 2.52e-16 2.52e-16 240 2.6e-17 2.6e-17 241 9.81e-21 9.81e-21 242 4.55e-23 4.55e-23 243 5.53e-15 5.53e-15 244 8.44e-15 8.44e-15 245 1.44e-15 1.44e-15 246 5.7e-16 5.7e-16 247 8.66e-16 8.66e-16 248 5.05e-16 5.05e-16 249 1.07e-16 1.07e-16 250 1.85e-16 1.85e-16 251 2.96e-17 2.96e-17 252 6.28e-18 6.28e-18 253 1.09e-17 1.09e-17 254 6.41e-17 6.41e-17 255 3.37e-18 3.37e-18 256 3.36e-20 3.36e-20 257 3.06e-21 3.06e-21 258 7.5e-19 7.5e-19 259 2.12e-19 2.12e-19 260 1.34e-19 1.34e-19 261 8.17e-10 8.17e-10 262 1.22e-12 1.22e-12 263 2.05e-09 2.05e-09 264 4.49e-09 4.49e-09 265 1.11e-09 1.11e-09 266 1.96e-08 1.96e-08 267 1.96e-09 1.96e-09 268 3.59e-10 3.59e-10 269 1.1e-15 1.1e-15 270 1.35e-16 1.35e-16 271 5.56e-17 5.56e-17 272 1.62e-10 1.62e-10 273 3.44e-18 3.44e-18 274 9.23e-20 9.23e-20 275 2.1e-20 2.1e-20 276 4.14e-08 4.14e-08 277 8.47e-07 8.47e-07 278 5.3e-08 5.3e-08 279 1.2e-06 1.2e-06 280 5.9e-15 5.9e-15 281 5.82e-13 5.82e-13 282 5.5e-06 5.5e-06 284 1.12e-26 1.12e-26 285 1.09e-30 1.09e-30 286 0.00701 0.00701 288 3.07e-18 3.07e-18 290 6.05e-16 6.05e-16 293 1.68e-25 1.68e-25 294 2.08e-26 2.08e-26 295 7.82e-26 7.82e-26 298 1.57e-25 1.57e-25 303 2.86e-21 2.86e-21 307 2.32e-24 2.32e-24 308 1.16e-24 1.16e-24 309 1.68e-23 1.68e-23 310 4.21e-23 4.21e-23 311 2.56e-47 2.56e-47 312 3.07e-48 3.07e-48 313 3.1e-48 3.1e-48 314 1.27e-47 1.27e-47 315 5.4e-53 5.4e-53 316 2.67e-64 2.67e-64 317 1.59e-45 1.59e-45 318 6.84e-47 6.84e-47 319 8.02e-51 8.02e-51 320 4.24e-47 4.24e-47 321 1.98e-46 1.98e-46 322 4.98e-52 4.98e-52 324 2.75e-62 2.75e-62