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cantera/test_problems/cxx_ex/kin1_blessed.csv
Harry Moffat 9ff04adb41 Changed the blessed files. There was a small change in the actual 
answer.
2004-01-14 16:30:19 +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-05,1001,0.257549,101325,0.285714,3.17651e-10,3.12888e-11,0.142857,1.0679e-11,2.1391e-10,4.83467e-10,4.75826e-13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.87063e-25,6.3417e-24,2.68534e-25,1.13025e-25,1.05366e-16,1.43856e-23,4.29459e-31,1.37214e-17,3.19361e-25,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
52e-05,1001,0.257549,101325,0.285714,7.98469e-10,8.42582e-11,0.142857,2.80402e-11,1.06553e-09,1.41992e-09,2.51228e-12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.95532e-24,6.63031e-23,4.16642e-24,3.52325e-24,2.64885e-16,1.50026e-22,2.2872e-29,7.1435e-17,4.95251e-24,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
63e-05,1001,0.257549,101325,0.285714,1.5411e-09,1.6607e-10,0.142857,5.48554e-11,2.90574e-09,3.05427e-09,7.38153e-12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.99792e-24,3.01823e-22,2.2047e-23,2.70349e-23,5.11264e-16,7.25972e-22,3.18213e-28,1.97878e-16,2.61994e-23,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
74e-05,1001,0.257549,101325,0.285714,2.68847e-09,2.92464e-10,0.142857,9.62861e-11,6.27314e-09,5.76626e-09,1.70473e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.06991e-23,1.01635e-21,7.98278e-23,1.23027e-22,8.91924e-16,2.59475e-21,2.56204e-27,4.3076e-16,9.4848e-23,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
85e-05,1001,0.257549,101325,0.285714,4.46179e-09,4.87809e-10,0.142857,1.60323e-10,1.20006e-08,1.0143e-08,3.45439e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79677e-23,2.96246e-21,2.41979e-22,4.32573e-22,1.48025e-15,7.92918e-21,1.55037e-26,8.28385e-16,2.87482e-22,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
96e-05,1001,0.257549,101325,0.285714,7.20294e-09,7.89757e-10,0.142857,2.59317e-10,2.13761e-08,1.70922e-08,6.45646e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.92152e-23,7.98343e-21,6.67028e-22,1.31608e-21,2.38967e-15,2.21294e-20,7.90962e-26,1.48091e-15,7.92413e-22,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
107e-05,1001,0.257549,101325,0.285714,1.14407e-08,1.25656e-09,0.142857,4.12386e-10,3.6392e-08,2.80173e-08,1.14374e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.66532e-23,2.05563e-20,1.74104e-21,3.67005e-21,3.79563e-15,5.84213e-20,3.62188e-25,2.52775e-15,2.06822e-21,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
118e-05,1001,0.257549,101325,0.285714,1.79934e-08,1.97834e-09,0.142857,6.49125e-10,6.01305e-08,4.50875e-08,1.95229e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.38054e-23,5.14948e-20,4.39807e-21,9.69119e-21,5.96958e-15,1.48913e-19,1.54501e-24,4.18448e-15,5.22437e-21,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
129e-05,1001,0.257549,101325,0.285714,2.81268e-08,3.09453e-09,0.142857,1.01537e-09,9.73613e-08,7.16561e-08,3.24602e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.1651e-22,1.26827e-19,1.08885e-20,2.47134e-20,9.33151e-15,3.71128e-19,6.28602e-24,6.78458e-15,1.29338e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
130.0001,1001,0.257549,101325,0.285714,4.38011e-08,4.821e-09,0.142857,1.58222e-09,1.5547e-07,1.12907e-07,5.29672e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.85251e-22,3.09092e-19,2.66233e-20,6.16209e-20,1.45317e-14,9.1169e-19,2.47837e-23,1.08439e-14,3.16224e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
140.00011,1001,0.257548,101325,0.285714,6.80531e-08,7.49218e-09,0.142857,2.46009e-09,2.45904e-07,1.76849e-07,8.52862e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.01634e-22,7.48383e-19,6.45916e-20,1.51434e-19,2.25778e-14,2.219e-18,9.56693e-23,1.71609e-14,7.67148e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
150.00012,1001,0.257548,101325,0.285714,1.05593e-07,1.16267e-08,0.142857,3.82089e-09,3.86424e-07,2.75858e-07,1.36073e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.19124e-22,1.80486e-18,1.55963e-19,3.68696e-19,3.50324e-14,5.36957e-18,3.6409e-22,2.69717e-14,1.85216e-19,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
160.00013,1001,0.257548,101325,0.285714,1.63741e-07,1.80304e-08,0.142856,5.93337e-09,6.04643e-07,4.29049e-07,2.15849e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.9496e-22,4.34324e-18,3.75549e-19,8.92391e-19,5.43241e-14,1.2948e-17,1.37247e-21,4.21923e-14,4.45919e-19,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
170.00014,1001.01,0.257548,101325,0.285713,2.539e-07,2.79584e-08,0.142856,9.21996e-09,9.43626e-07,6.65921e-07,3.41437e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25013e-21,1.04426e-17,9.03126e-19,2.15234e-18,8.42366e-14,3.11656e-17,5.14166e-21,6.57952e-14,1.07209e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
180.00015,1001.01,0.257547,101325,0.285712,3.93914e-07,4.33735e-08,0.142855,1.43506e-08,1.47084e-06,1.03197e-06,5.40162e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.12954e-21,2.51146e-17,2.17159e-18,5.18182e-18,1.30691e-13,7.49792e-17,1.91864e-20,1.02402e-13,2.5769e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
190.00016,1001.01,0.257546,101325,0.285711,6.1188e-07,6.7364e-08,0.142855,2.24017e-08,2.29272e-06,1.59724e-06,8.5742e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.93967e-20,6.04888e-17,5.22702e-18,1.24699e-17,2.03008e-13,1.80525e-16,7.14288e-20,1.59222e-13,6.19899e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
200.00017,1001.02,0.257544,101325,0.28571,9.52457e-07,1.04834e-07,0.142853,3.51351e-08,3.57897e-06,2.46933e-06,1.37086e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.73653e-20,1.46114e-16,1.26112e-17,3.00341e-17,3.16011e-13,4.35585e-16,2.65635e-19,2.47545e-13,1.49428e-17,0,0,0,0,0,0,0,0,0.57143,0,0,0,0,0,
210.00018,1001.03,0.257542,101325,0.285707,1.48766e-06,1.63679e-07,0.142851,5.55137e-08,5.6044e-06,3.81286e-06,2.21817e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.46422e-19,3.54687e-16,3.05534e-17,7.25051e-17,4.93599e-13,1.0552e-15,9.87844e-19,3.85191e-13,3.61511e-17,0,0,0,0,0,0,0,0,0.571431,0,0,0,0,0,
220.00019,1001.05,0.257538,101325,0.285703,2.33603e-06,2.56866e-07,0.142848,8.87051e-08,8.82425e-06,5.87806e-06,3.65371e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.31077e-19,8.67786e-16,7.45216e-17,1.75775e-16,7.75128e-13,2.57309e-15,3.67757e-18,6.00574e-13,8.798e-17,0,0,0,0,0,0,0,0,0.571432,0,0,0,0,0,
230.0002,1001.08,0.257531,101325,0.285696,3.69862e-06,4.06316e-07,0.142842,1.44162e-07,1.4017e-05,9.04075e-06,6.16697e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.61782e-18,2.14931e-15,1.83688e-16,4.29099e-16,1.22736e-12,6.34042e-15,1.37217e-17,9.39743e-13,2.16105e-16,0,0,0,0,0,0,0,0,0.571434,0,0,0,0,0,
240.00021,1001.12,0.257521,101325,0.285686,5.93046e-06,6.50584e-07,0.142834,2.40213e-07,2.25728e-05,1.38532e-05,1.07337e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.45358e-17,5.42458e-15,4.60193e-16,1.05907e-15,1.96825e-12,1.58822e-14,5.13804e-17,1.47911e-12,5.38402e-16,0,0,0,0,0,0,0,0,0.571437,0,0,0,0,0,
250.00022,1001.2,0.257502,101325,0.285668,9.69291e-06,1.06111e-06,0.14282,4.14865e-07,3.71154e-05,2.10914e-05,1.93417e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.1207e-17,1.40888e-14,1.18189e-15,2.65895e-15,3.21775e-12,4.08159e-14,1.93324e-16,2.34981e-12,1.37033e-15,0,0,0,0,0,0,0,0,0.571442,0,0,0,0,0,
260.00023,1001.35,0.257469,101325,0.285638,1.63011e-05,1.77915e-06,0.142798,7.52705e-07,6.2939e-05,3.1739e-05,3.60311e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.76033e-16,3.81944e-14,3.15083e-15,6.8536e-15,5.41381e-12,1.09156e-13,7.31176e-16,3.78782e-12,3.59903e-15,0,0,0,0,0,0,0,0,0.571451,0,0,0,0,0,
270.00024,1001.62,0.257405,101325,0.285582,2.85704e-05,3.10541e-06,0.142761,1.45467e-06,0.000111532,4.67108e-05,6.8634e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.37473e-15,1.10196e-13,8.87157e-15,1.8385e-14,9.49643e-12,3.1044e-13,2.77039e-15,6.24488e-12,9.87935e-15,0,0,0,0,0,0,0,0,0.571465,0,0,0,0,0,
280.00025,1002.18,0.257273,101325,0.285474,5.29783e-05,5.72933e-06,0.142697,3.0178e-06,0.000209555,6.58088e-05,1.30271e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.84549e-15,3.46133e-13,2.69432e-14,5.23061e-14,1.76389e-11,9.68887e-13,1.03633e-14,1.06542e-11,2.86981e-14,0,0,0,0,0,0,0,0,0.571491,0,0,0,0,0,
290.00026,1003.4,0.256985,101325,0.285249,0.000105204,1.13233e-05,0.142578,6.64782e-06,0.000421205,8.53695e-05,2.34986e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.28208e-14,1.2026e-12,8.97403e-14,1.61311e-13,3.51553e-11,3.45234e-12,3.67257e-14,1.91094e-11,8.82965e-14,0,0,0,0,0,0,0,0,0.571541,0,0,0,0,0,
300.00027,1006.13,0.256332,101325,0.284752,0.000223605,2.40279e-05,0.142341,1.50258e-05,0.000898215,9.75848e-05,3.76829e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.14176e-13,4.54897e-12,3.24063e-13,5.45608e-13,7.53344e-11,1.45183e-11,1.14562e-13,3.66719e-11,2.77957e-13,0,0,0,0,0,0,0,0,0.571644,0,0,0,0,0,
310.00028,1012.32,0.254866,101325,0.283619,0.000504454,5.44394e-05,0.141822,3.44632e-05,0.00199163,0.000100047,5.0798e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.51172e-12,1.75972e-11,1.18502e-12,1.97112e-12,1.73096e-10,7.2439e-11,3.0967e-13,7.64942e-11,8.30815e-13,0,0,0,0,0,0,0,0,0.571869,0,0,0,0,0,
320.00029,1026.76,0.251511,101325,0.280844,0.00124064,0.000135615,0.140566,8.52922e-05,0.00463315,9.8649e-05,5.49271e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.08331e-11,6.70524e-11,3.99883e-12,7.08419e-12,4.43823e-10,4.33008e-10,8.16962e-13,1.78492e-10,2.34886e-12,0,0,0,0,0,0,0,0,0.57239,0,0,0,0,0,
330.0003,1064.72,0.243121,101325,0.272616,0.00374761,0.000423822,0.136895,0.000263536,0.0122032,9.4245e-05,3.91543e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.32216e-10,2.8985e-10,1.25517e-11,2.41501e-11,1.48585e-09,3.59113e-09,2.39307e-12,5.21796e-10,8.08702e-12,0,0,0,0,0,0,0,0,0.573753,0,0,0,0,0,
340.00031,1207.6,0.216239,101325,0.228298,0.0211834,0.00270635,0.117591,0.00175833,0.0495863,8.00886e-05,2.14198e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.26748e-09,2.73851e-09,5.50864e-11,8.37532e-11,1.14984e-08,8.71988e-08,1.42221e-11,3.32191e-09,7.8302e-11,0,0,0,0,0,0,0,0,0.578794,0,0,0,0,0,
350.00032,1718.27,0.157235,101325,0.0540815,0.0810156,0.0197621,0.0333248,0.016271,0.196681,2.08389e-05,1.74976e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4964e-07,3.21473e-08,2.40328e-10,5.86903e-11,8.64697e-08,9.01547e-06,8.199e-10,5.60146e-08,2.36725e-09,0,0,0,0,0,0,0,0,0.598832,0,0,0,0,0,
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