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cantera/test_problems/cxx_ex/kin1_blessed.csv
Dave Goodwin 1e8d3822ff Initial revision
2003-04-14 17:57:48 +00:00

54 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,
30,1001,0.257563,101325,0.285714,0,0,0.142857,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
41e-05,1001,0.257563,101325,0.285714,3.17627e-10,3.12622e-11,0.142857,1.06695e-11,2.13732e-10,4.83489e-10,4.75677e-13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.85744e-25,6.33719e-24,2.67865e-25,1.11697e-25,1.05358e-16,1.43658e-23,4.24023e-31,1.36753e-17,3.18539e-25,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
52e-05,1001,0.257563,101325,0.285714,7.97668e-10,8.41326e-11,0.142857,2.79936e-11,1.06413e-09,1.41961e-09,2.51148e-12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.95209e-24,6.61853e-23,4.16091e-24,3.51597e-24,2.64619e-16,1.49797e-22,2.29124e-29,7.11593e-17,4.9457e-24,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
63e-05,1001,0.257563,101325,0.285714,1.53824e-09,1.65683e-10,0.142857,5.47182e-11,2.90024e-09,3.05218e-09,7.37752e-12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.98655e-24,3.00836e-22,2.199e-23,2.69808e-23,5.10316e-16,7.24125e-22,3.18297e-28,1.97003e-16,2.61308e-23,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
74e-05,1001,0.257563,101325,0.285714,2.68113e-09,2.9153e-10,0.142857,9.59611e-11,6.25717e-09,5.75882e-09,1.70313e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.06695e-23,1.01119e-21,7.94713e-23,1.22546e-22,8.89485e-16,2.58359e-21,2.55007e-27,4.2858e-16,9.44222e-23,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
85e-05,1001,0.257563,101325,0.285714,4.44535e-09,4.85788e-10,0.142857,1.5963e-10,1.19616e-08,1.01228e-08,3.44949e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79012e-23,2.94213e-21,2.4049e-22,4.30242e-22,1.47479e-15,7.88225e-21,1.53953e-26,8.23625e-16,2.85708e-22,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
96e-05,1001,0.257563,101325,0.285714,7.16923e-09,7.85709e-10,0.142857,2.5794e-10,2.12905e-08,1.70447e-08,6.44364e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.90785e-23,7.91366e-21,6.61716e-22,1.30693e-21,2.37849e-15,2.19603e-20,7.83713e-26,1.4713e-15,7.86091e-22,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
107e-05,1001,0.257563,101325,0.285714,1.13754e-08,1.24883e-09,0.142857,4.09772e-10,3.62166e-08,2.79153e-08,1.14073e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.63866e-23,2.0336e-20,1.7238e-21,3.6383e-21,3.77395e-15,5.7867e-20,3.5798e-25,2.50931e-15,2.04772e-21,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
118e-05,1001,0.257563,101325,0.285714,1.78714e-08,1.96407e-09,0.142857,6.44319e-10,5.97881e-08,4.48819e-08,1.94576e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.3302e-23,5.08369e-20,4.34563e-21,9.5898e-21,5.92911e-15,1.47211e-19,1.52308e-24,4.15037e-15,5.16203e-21,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
129e-05,1001,0.257563,101325,0.285714,2.79054e-08,3.06883e-09,0.142857,1.00675e-09,9.6717e-08,7.126e-08,3.23261e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.15575e-22,1.24941e-19,1.07364e-20,2.44086e-20,9.25804e-15,3.66147e-19,6.18108e-24,6.72309e-15,1.27529e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
130.0001,1001,0.257563,101325,0.285714,4.34074e-08,4.7756e-09,0.142857,1.56701e-09,1.54291e-07,1.12168e-07,5.27033e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.83494e-22,3.03823e-19,2.61941e-20,6.07394e-20,1.44011e-14,8.97557e-19,2.42997e-23,1.07352e-14,3.11124e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
140.00011,1001,0.257563,101325,0.285714,6.73643e-08,7.41316e-09,0.142857,2.43365e-09,2.43789e-07,1.75507e-07,8.47834e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.98169e-22,7.33968e-19,6.34082e-20,1.48954e-19,2.23492e-14,2.17982e-18,9.35106e-23,1.69718e-14,7.53087e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
150.00012,1001,0.257563,101325,0.285714,1.04403e-07,1.14908e-08,0.142857,3.77543e-09,3.82695e-07,2.73469e-07,1.35138e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.11511e-22,1.76604e-18,1.52757e-19,3.61866e-19,3.46376e-14,5.26294e-18,3.54727e-22,2.66465e-14,1.81407e-19,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
160.00013,1001,0.257563,101325,0.285714,1.61706e-07,1.77988e-08,0.142856,5.85581e-09,5.98155e-07,4.24863e-07,2.14141e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.75246e-22,4.24e-18,3.66983e-19,8.73906e-19,5.3649e-14,1.2662e-17,1.33283e-21,4.16386e-14,4.35746e-19,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
170.00014,1001.01,0.257562,101325,0.285713,2.50448e-07,2.75666e-08,0.142856,9.08846e-09,9.3245e-07,6.58686e-07,3.38352e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.18936e-21,1.01705e-17,8.80469e-19,2.10297e-18,8.30914e-14,3.04067e-17,4.97656e-21,6.48599e-14,1.04519e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
180.00015,1001.01,0.257562,101325,0.285712,3.88091e-07,4.27142e-08,0.142856,1.41283e-08,1.45173e-06,1.0196e-06,5.34626e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.91597e-21,2.44018e-17,2.11209e-18,5.05123e-18,1.28758e-13,7.29809e-17,1.85068e-20,1.00832e-13,2.50632e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
190.00016,1001.01,0.25756,101325,0.285711,6.021e-07,6.62596e-08,0.142855,2.20263e-08,2.26022e-06,1.57631e-06,8.47484e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.85885e-20,5.86299e-17,5.07154e-18,1.21268e-17,1.99764e-13,1.75291e-16,6.86517e-20,1.56599e-13,6.01468e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
200.00017,1001.02,0.257559,101325,0.28571,9.36057e-07,1.02986e-07,0.142853,3.44988e-08,3.52384e-06,2.43423e-06,1.3529e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.41869e-20,1.41275e-16,1.22061e-17,2.9137e-17,3.10569e-13,4.21916e-16,2.54396e-19,2.4318e-13,1.44632e-17,0,0,0,0,0,0,0,0,0.57143,0,0,0,0,0,
210.00018,1001.03,0.257557,101325,0.285707,1.46008e-06,1.60579e-07,0.142851,5.44251e-08,5.51071e-06,3.75451e-06,2.1852e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.33638e-19,3.42056e-16,2.94968e-17,7.01653e-17,4.84447e-13,1.01949e-15,9.42675e-19,3.77933e-13,3.49032e-17,0,0,0,0,0,0,0,0,0.571431,0,0,0,0,0,
220.00019,1001.05,0.257553,101325,0.285703,2.28947e-06,2.51645e-07,0.142848,8.68167e-08,8.66412e-06,5.78182e-06,3.59183e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.78711e-19,8.34606e-16,7.17528e-17,1.69666e-16,7.59674e-13,2.47933e-15,3.49679e-18,5.88503e-13,8.47197e-17,0,0,0,0,0,0,0,0,0.571432,0,0,0,0,0,
230.0002,1001.07,0.257546,101325,0.285697,3.61919e-06,3.97439e-07,0.142842,1.40806e-07,1.37401e-05,8.88363e-06,6.04744e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.39841e-18,2.06108e-15,1.76359e-16,4.1307e-16,1.20099e-12,6.09181e-15,1.3e-17,9.19605e-13,2.0752e-16,0,0,0,0,0,0,0,0,0.571434,0,0,0,0,0,
240.00021,1001.12,0.257536,101325,0.285686,5.79253e-06,6.35228e-07,0.142834,2.34036e-07,2.20844e-05,1.36001e-05,1.04954e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.35845e-17,5.1848e-15,4.40443e-16,1.01655e-15,1.92246e-12,1.52105e-14,4.85016e-17,1.44526e-12,5.15453e-16,0,0,0,0,0,0,0,0,0.571437,0,0,0,0,0,
250.00022,1001.2,0.257518,101325,0.285669,9.44657e-06,1.03382e-06,0.142821,4.02924e-07,3.62268e-05,2.06917e-05,1.88534e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.68606e-17,1.34142e-14,1.12706e-15,2.54391e-15,3.13591e-12,3.89426e-14,1.81831e-16,2.29215e-12,1.30745e-15,0,0,0,0,0,0,0,0,0.571442,0,0,0,0,0,
260.00023,1001.34,0.257486,101325,0.28564,1.58427e-05,1.72868e-06,0.142799,7.28153e-07,6.12487e-05,3.11291e-05,3.50154e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.54566e-16,3.6195e-14,2.99151e-15,6.53216e-15,5.2614e-12,1.03662e-13,6.85294e-16,3.68742e-12,3.42026e-15,0,0,0,0,0,0,0,0,0.57145,0,0,0,0,0,
270.00024,1001.6,0.257424,101325,0.285586,2.76683e-05,3.00677e-06,0.142763,1.40057e-06,0.000108124,4.58403e-05,6.65493e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.25627e-15,1.03818e-13,8.3776e-15,1.74415e-14,9.19601e-12,2.93031e-13,2.58865e-15,6.06394e-12,9.34502e-15,0,0,0,0,0,0,0,0,0.571464,0,0,0,0,0,
280.00025,1002.14,0.257298,101325,0.285482,5.10782e-05,5.523e-06,0.142701,2.89119e-06,0.000202206,6.47325e-05,1.26267e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.08917e-15,3.23792e-13,2.52762e-14,4.93354e-14,1.70041e-11,9.07167e-13,9.66842e-15,1.03113e-11,2.70061e-14,0,0,0,0,0,0,0,0,0.571489,0,0,0,0,0,
290.00026,1003.3,0.257022,101325,0.285266,0.000100928,1.08607e-05,0.142587,6.34489e-06,0.000404436,8.44131e-05,2.28456e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71436e-14,1.11655e-12,8.35911e-14,1.51094e-13,3.37166e-11,3.19862e-12,3.43345e-14,1.84146e-11,8.27155e-14,0,0,0,0,0,0,0,0,0.571538,0,0,0,0,0,
300.00027,1005.91,0.2564,101325,0.284793,0.000213524,2.29337e-05,0.14236,1.43161e-05,0.000859008,9.72006e-05,3.69065e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.65978e-13,4.20088e-12,3.00303e-13,5.07517e-13,7.18903e-11,1.32906e-11,1.0784e-13,3.51494e-11,2.60092e-13,0,0,0,0,0,0,0,0,0.571636,0,0,0,0,0,
310.00028,1011.8,0.255003,101325,0.283716,0.000479461,5.16975e-05,0.141866,3.27363e-05,0.00189858,0.000100065,5.02704e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.08733e-12,1.62322e-11,1.09852e-12,1.8263e-12,1.64269e-10,6.5523e-11,2.92684e-13,7.28477e-11,7.7993e-13,0,0,0,0,0,0,0,0,0.571851,0,0,0,0,0,
320.00029,1025.48,0.251817,101325,0.281099,0.00116946,0.000127636,0.140681,8.03388e-05,0.00439353,9.88063e-05,5.52085e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.69351e-11,6.17277e-11,3.72545e-12,6.56884e-12,4.16852e-10,3.85896e-10,7.69646e-13,1.68372e-10,2.20108e-12,0,0,0,0,0,0,0,0,0.572345,0,0,0,0,0,
330.0003,1061.02,0.243926,101325,0.273486,0.00346169,0.00039005,0.13728,0.000242689,0.0114205,9.46671e-05,4.08676e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.82543e-10,2.6175e-10,1.1677e-11,2.24242e-11,1.35938e-09,3.09806e-09,2.22243e-12,4.8143e-10,7.37048e-12,0,0,0,0,0,0,0,0,0.57362,0,0,0,0,0,
340.00031,1189.8,0.219251,101325,0.235004,0.0183154,0.00230461,0.120495,0.00148364,0.0441399,8.18148e-05,2.03204e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.09155e-09,2.25495e-09,4.87412e-11,7.75897e-11,9.61106e-09,6.64437e-08,1.19293e-11,2.79156e-09,6.34857e-11,0,0,0,0,0,0,0,0,0.578173,0,0,0,0,0,
350.00032,1695.88,0.159037,101325,0.0543443,0.0830764,0.0198516,0.0340543,0.0157593,0.195112,2.18404e-05,1.90628e-06,-5.9596e-34,1.58834e-34,-2.26046e-34,-1.08834e-34,-5.04796e-33,-1.84653e-32,-1.52518e-27,-2.87382e-28,-1.82175e-32,-1.82013e-33,-3.93904e-35,-2.97807e-36,-3.62626e-35,5.68452e-55,9.24344e-53,1.68551e-53,4.97719e-53,2.23926e-52,1.17444e-53,6.94067e-54,6.82659e-53,7.87984e-56,1.55721e-07,3.19372e-08,2.21274e-10,5.37364e-11,8.64915e-08,7.91623e-06,7.26124e-10,5.40556e-08,2.19398e-09,-1.85099e-35,-4.47727e-33,-1.93384e-36,-2.03829e-37,-2.38306e-38,-1.25433e-36,-3.7902e-35,-3.02195e-35,0.59777,0,-1.35528e-74,1.16289e-75,1.3966e-54,1.67074e-53,
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