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cantera/test_problems/cxx_ex/kin2_blessed.csv
Dave Goodwin ae3af10a1c rebaselined
2003-12-13 14:08:13 +00:00

53 KiB
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1kinetics example 1: constant-pressure ignition,
2time (s),Temperature (K),Density (kg/m3),Pressure (Pa),H2,H,O,O2,OH,H2O,HO2,H2O2,C,CH,CH2,CH2(S),CH3,CH4,CO,CO2,HCO,CH2O,CH2OH,CH3O,CH3OH,C2H,C2H2,C2H3,C2H4,C2H5,C2H6,HCCO,CH2CO,HCCOH,N,NH,NH2,NH3,NNH,NO,NO2,N2O,HNO,CN,HCN,H2CN,HCNN,HCNO,HOCN,HNCO,NCO,N2,AR,C3H7,C3H8,CH2CHO,CH3CHO,
30,1001,0.257549,101325,0.285714,0,0,0.142857,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
41e-05,1001,0.257549,101325,0.285714,3.17632e-10,3.12645e-11,0.142857,1.06704e-11,2.13733e-10,4.83463e-10,4.75647e-13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.85877e-25,6.33706e-24,2.67853e-25,1.11697e-25,1.0536e-16,1.43656e-23,4.23917e-31,1.37147e-17,3.18541e-25,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
52e-05,1001,0.257549,101325,0.285714,7.97724e-10,8.41401e-11,0.142857,2.79971e-11,1.06414e-09,1.41952e-09,2.5112e-12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.95241e-24,6.61895e-23,4.16068e-24,3.51517e-24,2.64638e-16,1.49797e-22,2.28958e-29,7.13655e-17,4.94568e-24,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
63e-05,1001,0.257549,101325,0.285714,1.53843e-09,1.65707e-10,0.142857,5.47278e-11,2.90034e-09,3.05201e-09,7.37657e-12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.98743e-24,3.0084e-22,2.1986e-23,2.69652e-23,5.10379e-16,7.24013e-22,3.17305e-28,1.97578e-16,2.61274e-23,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
74e-05,1001,0.257549,101325,0.285714,2.68163e-09,2.9159e-10,0.142857,9.59844e-11,6.25771e-09,5.75871e-09,1.70296e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.06719e-23,1.01153e-21,7.94923e-23,1.22557e-22,8.89653e-16,2.58423e-21,2.55136e-27,4.29852e-16,9.4452e-23,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
85e-05,1001,0.257549,101325,0.285714,4.44649e-09,4.85922e-10,0.142857,1.59679e-10,1.19633e-08,1.0123e-08,3.44923e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79063e-23,2.94351e-21,2.40582e-22,4.30361e-22,1.47517e-15,7.88533e-21,1.54069e-26,8.26107e-16,2.85832e-22,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
96e-05,1001,0.257549,101325,0.285714,7.17159e-09,7.85981e-10,0.142857,2.58038e-10,2.12946e-08,1.7046e-08,6.44338e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.9089e-23,7.91845e-21,6.62055e-22,1.30747e-21,2.37927e-15,2.19718e-20,7.84401e-26,1.47581e-15,7.86535e-22,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
107e-05,1001,0.257549,101325,0.285714,1.138e-08,1.24936e-09,0.142857,4.0996e-10,3.62256e-08,2.79191e-08,1.14073e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.64067e-23,2.03512e-20,1.72493e-21,3.64027e-21,3.77548e-15,5.79053e-20,3.58347e-25,2.51714e-15,2.04917e-21,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
118e-05,1001,0.257549,101325,0.285714,1.788e-08,1.96505e-09,0.142857,6.44664e-10,5.98068e-08,4.48909e-08,1.94585e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.33398e-23,5.08825e-20,4.3491e-21,9.59619e-21,5.93197e-15,1.47329e-19,1.5248e-24,4.16357e-15,5.16642e-21,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
129e-05,1001,0.257549,101325,0.285714,2.79211e-08,3.07061e-09,0.142857,1.00737e-09,9.67538e-08,7.12792e-08,3.23294e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.15644e-22,1.2507e-19,1.07463e-20,2.44274e-20,9.26325e-15,3.66484e-19,6.18774e-24,6.7449e-15,1.27653e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
130.0001,1001,0.257549,101325,0.285714,4.34353e-08,4.77875e-09,0.142857,1.5681e-09,1.5436e-07,1.12206e-07,5.27118e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.83624e-22,3.04181e-19,2.62217e-20,6.07913e-20,1.44104e-14,8.98485e-19,2.43262e-23,1.07708e-14,3.11467e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
140.00011,1001,0.257548,101325,0.285714,6.7413e-08,7.41865e-09,0.142857,2.43554e-09,2.43917e-07,1.7558e-07,8.48023e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.98421e-22,7.34949e-19,6.34848e-20,1.49099e-19,2.23654e-14,2.18238e-18,9.36284e-23,1.70292e-14,7.54035e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
150.00012,1001,0.257548,101325,0.285714,1.04488e-07,1.15003e-08,0.142857,3.77867e-09,3.82924e-07,2.73604e-07,1.35177e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.12059e-22,1.76869e-18,1.52966e-19,3.62271e-19,3.46656e-14,5.26994e-18,3.55252e-22,2.67386e-14,1.81665e-19,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
160.00013,1001,0.257548,101325,0.285714,1.6185e-07,1.78149e-08,0.142856,5.86134e-09,5.98559e-07,4.25105e-07,2.14219e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.76641e-22,4.24703e-18,3.67543e-19,8.75007e-19,5.36968e-14,1.26807e-17,1.33501e-21,4.17857e-14,4.36432e-19,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
170.00014,1001,0.257548,101325,0.285713,2.50692e-07,2.75939e-08,0.142856,9.09781e-09,9.33154e-07,6.59114e-07,3.38501e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.19361e-21,1.0189e-17,8.81953e-19,2.10593e-18,8.31722e-14,3.04564e-17,4.98568e-21,6.50941e-14,1.04701e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
180.00015,1001.01,0.257547,101325,0.285712,3.88503e-07,4.27603e-08,0.142856,1.41441e-08,1.45295e-06,1.02035e-06,5.34907e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.93087e-21,2.44505e-17,2.11602e-18,5.05915e-18,1.28895e-13,7.31125e-17,1.85452e-20,1.01205e-13,2.5111e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
190.00016,1001.01,0.257546,101325,0.285711,6.02787e-07,6.63362e-08,0.142855,2.20527e-08,2.26231e-06,1.57759e-06,8.48006e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.86443e-20,5.87572e-17,5.08188e-18,1.2148e-17,1.99991e-13,1.75639e-16,6.88196e-20,1.5719e-13,6.02726e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
200.00017,1001.02,0.257544,101325,0.28571,9.372e-07,1.03114e-07,0.142853,3.45434e-08,3.52738e-06,2.43639e-06,1.35387e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.4405e-20,1.41605e-16,1.22331e-17,2.91935e-17,3.10949e-13,4.22829e-16,2.55101e-19,2.44117e-13,1.44959e-17,0,0,0,0,0,0,0,0,0.57143,0,0,0,0,0,
210.00018,1001.03,0.257542,101325,0.285707,1.46202e-06,1.60795e-07,0.142851,5.45022e-08,5.51679e-06,3.75813e-06,2.18704e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.3452e-19,3.42922e-16,2.95678e-17,7.0315e-17,4.85093e-13,1.02189e-15,9.45568e-19,3.79424e-13,3.49885e-17,0,0,0,0,0,0,0,0,0.571431,0,0,0,0,0,
220.00019,1001.05,0.257538,101325,0.285703,2.29275e-06,2.52009e-07,0.142848,8.69498e-08,8.67458e-06,5.78786e-06,3.59536e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.82333e-19,8.36893e-16,7.19398e-17,1.70062e-16,7.60762e-13,2.48568e-15,3.50853e-18,5.90879e-13,8.49441e-17,0,0,0,0,0,0,0,0,0.571432,0,0,0,0,0,
230.0002,1001.08,0.257532,101325,0.285697,3.62475e-06,3.98056e-07,0.142842,1.41041e-07,1.37583e-05,8.89357e-06,6.05437e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.41351e-18,2.06714e-15,1.76854e-16,4.14116e-16,1.20284e-12,6.10868e-15,1.30473e-17,9.23407e-13,2.08111e-16,0,0,0,0,0,0,0,0,0.571434,0,0,0,0,0,
240.00021,1001.12,0.257521,101325,0.285686,5.80216e-06,6.36291e-07,0.142834,2.34467e-07,2.21165e-05,1.36162e-05,1.05095e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36496e-17,5.20122e-15,4.41773e-16,1.01933e-15,1.92566e-12,1.5256e-14,4.86905e-17,1.45139e-12,5.17025e-16,0,0,0,0,0,0,0,0,0.571437,0,0,0,0,0,
250.00022,1001.2,0.257503,101325,0.285669,9.4637e-06,1.03571e-06,0.142821,4.03753e-07,3.62854e-05,2.07172e-05,1.88825e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.71563e-17,1.34602e-14,1.13075e-15,2.55145e-15,3.14161e-12,3.90692e-14,1.82586e-16,2.30215e-12,1.31174e-15,0,0,0,0,0,0,0,0,0.571442,0,0,0,0,0,
260.00023,1001.34,0.257471,101325,0.285639,1.58744e-05,1.73215e-06,0.142799,7.29845e-07,6.13602e-05,3.11681e-05,3.50764e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.56016e-16,3.63308e-14,3.00219e-15,6.55322e-15,5.27196e-12,1.04032e-13,6.88303e-16,3.70403e-12,3.43241e-15,0,0,0,0,0,0,0,0,0.57145,0,0,0,0,0,
270.00024,1001.6,0.257409,101325,0.285586,2.77302e-05,3.01351e-06,0.142763,1.40427e-06,0.000108348,4.58959e-05,6.66749e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2642e-15,1.04248e-13,8.41055e-15,1.75033e-14,9.21667e-12,2.94198e-13,2.60056e-15,6.09235e-12,9.38113e-15,0,0,0,0,0,0,0,0,0.571464,0,0,0,0,0,
280.00025,1002.14,0.257283,101325,0.285481,5.12074e-05,5.53697e-06,0.142701,2.89976e-06,0.000202689,6.48007e-05,1.26507e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.13919e-15,3.25285e-13,2.53866e-14,4.95292e-14,1.70473e-11,9.1127e-13,9.71386e-15,1.03621e-11,2.71196e-14,0,0,0,0,0,0,0,0,0.57149,0,0,0,0,0,
290.00026,1003.31,0.257006,101325,0.285265,0.000101215,1.08917e-05,0.142586,6.3652e-06,0.000405533,8.44718e-05,2.28843e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.75138e-14,1.12223e-12,8.39945e-14,1.51757e-13,3.38134e-11,3.21529e-12,3.44905e-14,1.85106e-11,8.30863e-14,0,0,0,0,0,0,0,0,0.571538,0,0,0,0,0,
300.00027,1005.92,0.256382,101325,0.28479,0.000214194,2.30061e-05,0.142359,1.43632e-05,0.000861555,9.72194e-05,3.69503e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.69075e-13,4.22363e-12,3.01846e-13,5.09967e-13,7.2119e-11,1.33701e-11,1.08276e-13,3.53453e-11,2.61268e-13,0,0,0,0,0,0,0,0,0.571637,0,0,0,0,0,
310.00028,1011.83,0.25498,101325,0.283709,0.000481095,5.18761e-05,0.141863,3.2849e-05,0.00190456,0.000100056,5.02947e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.11423e-12,1.63203e-11,1.10409e-12,1.83552e-12,1.64846e-10,6.59635e-11,2.93771e-13,7.32837e-11,7.83244e-13,0,0,0,0,0,0,0,0,0.571852,0,0,0,0,0,
320.00029,1025.56,0.251784,101325,0.281083,0.00117401,0.000128144,0.140674,8.0655e-05,0.00440869,9.87877e-05,5.5179e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.71774e-11,6.20654e-11,3.74282e-12,6.6013e-12,4.18571e-10,3.8883e-10,7.72614e-13,1.69477e-10,2.21048e-12,0,0,0,0,0,0,0,0,0.572348,0,0,0,0,0,
330.0003,1061.25,0.243863,101325,0.273432,0.00347937,0.000392128,0.137256,0.000243973,0.0114689,9.46328e-05,4.0749e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.85514e-10,2.63468e-10,1.17311e-11,2.2531e-11,1.36713e-09,3.12761e-09,2.23289e-12,4.85214e-10,7.41413e-12,0,0,0,0,0,0,0,0,0.573629,0,0,0,0,0,
340.00031,1190.85,0.219058,101325,0.234613,0.0184816,0.00232763,0.120326,0.00149928,0.0444586,8.17069e-05,2.03722e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.21094e-09,2.28219e-09,4.91105e-11,7.79675e-11,9.71818e-09,6.75713e-08,1.20554e-11,2.82854e-09,6.43095e-11,0,0,0,0,0,0,0,0,0.57821,0,0,0,0,0,
350.00032,1697.31,0.158912,101325,0.0543172,0.0829494,0.019849,0.034002,0.0157928,0.19522,2.17708e-05,1.89586e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.55364e-07,3.19565e-08,2.22433e-10,5.40123e-11,8.64983e-08,7.98526e-06,7.32067e-10,5.42883e-08,2.20519e-09,0,0,0,0,0,0,0,0,0.597838,0,0,0,0,0,
360.00033,1941.71,0.141664,101325,0.0544565,0.05954,0.0168533,0.0285147,0.0205989,0.210314,1.37221e-05,7.59043e-07,9.88121e-40,3.82749e-41,-1.04251e-40,5.07796e-41,2.39595e-39,3.73257e-39,3.76472e-29,1.63979e-29,2.8382e-34,6.30058e-37,2.15517e-40,4.03883e-42,1.1229e-41,-1.29157e-58,-8.9126e-57,-1.55711e-57,-6.76328e-57,8.65806e-57,1.01547e-58,-9.54524e-58,-3.35087e-57,-2.35534e-59,9.13641e-08,2.95269e-08,5.00426e-10,1.54813e-10,7.90904e-08,2.30421e-05,1.89909e-09,6.35811e-08,3.85401e-09,2.87007e-36,3.34896e-34,3.65477e-38,2.10771e-43,6.09587e-41,2.66168e-37,8.84923e-36,4.73587e-36,0.609684,0,5.01002e-78,7.52117e-79,-3.30315e-58,-5.24134e-57,
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