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cantera/samples/cxx/kinetics1/kin1_blessed_0.csv
Ray Speth 2528df0f75 Reorganized source tree structure 
These changes make it unnecessary to copy header files around during
the build process, which tends to confuse IDEs and debuggers. The
headers which comprise Cantera's external C++ interface are now in
the 'include' directory.

All of the samples and demos are now in the 'samples' subdirectory.
2012-02-12 02:27:14 +00:00

52 KiB
Raw Blame History

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-05,1001,0.257549,101325,0.285714,3.17799e-10,3.13041e-11,0.142857,1.06841e-11,2.14007e-10,4.83549e-10,4.75876e-13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8758e-25,6.34805e-24,2.68791e-25,1.13109e-25,1.05415e-16,1.43967e-23,4.2964e-31,1.37279e-17,3.19667e-25,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
52e-05,1001,0.257549,101325,0.285714,7.98713e-10,8.42851e-11,0.142857,2.8049e-11,1.06594e-09,1.42023e-09,2.51275e-12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.95632e-24,6.63504e-23,4.16966e-24,3.52616e-24,2.64966e-16,1.50128e-22,2.28916e-29,7.14634e-17,4.95636e-24,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
63e-05,1001,0.257549,101325,0.285714,1.54149e-09,1.66112e-10,0.142857,5.48695e-11,2.90668e-09,3.05495e-09,7.38312e-12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.99951e-24,3.02018e-22,2.20627e-23,2.70596e-23,5.11394e-16,7.26472e-22,3.18929e-28,1.97943e-16,2.62181e-23,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
74e-05,1001,0.257549,101325,0.285714,2.68912e-09,2.92535e-10,0.142857,9.63095e-11,6.27483e-09,5.76748e-09,1.70507e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.07017e-23,1.01679e-21,7.98579e-23,1.23066e-22,8.92139e-16,2.59571e-21,2.56418e-27,4.30877e-16,9.48838e-23,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
85e-05,1001,0.257549,101325,0.285714,4.4628e-09,4.87918e-10,0.142857,1.60359e-10,1.20036e-08,1.01451e-08,3.4551e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79717e-23,2.96404e-21,2.42116e-22,4.32832e-22,1.48059e-15,7.93356e-21,1.55346e-26,8.28592e-16,2.87646e-22,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
96e-05,1001,0.257549,101325,0.285714,7.20456e-09,7.89935e-10,0.142857,2.59375e-10,2.13813e-08,1.70959e-08,6.45784e-11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.92219e-23,7.98767e-21,6.67424e-22,1.31706e-21,2.39021e-15,2.21431e-20,7.92438e-26,1.48127e-15,7.92884e-22,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
107e-05,1001,0.257549,101325,0.285714,1.14433e-08,1.25685e-09,0.142857,4.12479e-10,3.64006e-08,2.80233e-08,1.14398e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.66638e-23,2.05655e-20,1.74182e-21,3.67207e-21,3.79649e-15,5.84496e-20,3.62469e-25,2.52834e-15,2.06915e-21,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
118e-05,1001,0.257549,101325,0.285714,1.79975e-08,1.97879e-09,0.142857,6.49272e-10,6.01444e-08,4.50973e-08,1.95271e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.38221e-23,5.15173e-20,4.39994e-21,9.69557e-21,5.97093e-15,1.48979e-19,1.54589e-24,4.18545e-15,5.2266e-21,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
129e-05,1001,0.257549,101325,0.285714,2.81332e-08,3.09523e-09,0.142857,1.0156e-09,9.73837e-08,7.16719e-08,3.24673e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.16538e-22,1.26886e-19,1.08936e-20,2.47248e-20,9.33364e-15,3.713e-19,6.29068e-24,6.78614e-15,1.29398e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
130.0001,1001,0.257549,101325,0.285714,4.38111e-08,4.8221e-09,0.142857,1.58258e-09,1.55506e-07,1.12932e-07,5.29789e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.85296e-22,3.09237e-19,2.6636e-20,6.16512e-20,1.4535e-14,9.12127e-19,2.48041e-23,1.08464e-14,3.16375e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
140.00011,1001,0.257548,101325,0.285714,6.80685e-08,7.49387e-09,0.142857,2.46065e-09,2.4596e-07,1.76888e-07,8.53051e-10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.01713e-22,7.48721e-19,6.46208e-20,1.51505e-19,2.25829e-14,2.22001e-18,9.57338e-23,1.71648e-14,7.67494e-20,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
150.00012,1001,0.257548,101325,0.285714,1.05617e-07,1.16293e-08,0.142857,3.82176e-09,3.86512e-07,2.7592e-07,1.36103e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.19281e-22,1.80567e-18,1.56032e-19,3.68861e-19,3.50403e-14,5.37197e-18,3.64321e-22,2.69779e-14,1.85298e-19,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
160.00013,1001,0.257548,101325,0.285714,1.63777e-07,1.80345e-08,0.142856,5.93471e-09,6.04781e-07,4.29145e-07,2.15898e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.95332e-22,4.34521e-18,3.75719e-19,8.92793e-19,5.43363e-14,1.29538e-17,1.37341e-21,4.22018e-14,4.4612e-19,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
170.00014,1001.01,0.257548,101325,0.285713,2.53957e-07,2.79647e-08,0.142856,9.22205e-09,9.4384e-07,6.6607e-07,3.41514e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25118e-21,1.04474e-17,9.03537e-19,2.15333e-18,8.42556e-14,3.11798e-17,5.14532e-21,6.58101e-14,1.07258e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
180.00015,1001.01,0.257547,101325,0.285712,3.94003e-07,4.33833e-08,0.142855,1.43539e-08,1.47117e-06,1.0322e-06,5.40287e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.13294e-21,2.51259e-17,2.17257e-18,5.18416e-18,1.3072e-13,7.50131e-17,1.91994e-20,1.02426e-13,2.57806e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
190.00016,1001.01,0.257546,101325,0.285711,6.12018e-07,6.73793e-08,0.142855,2.24068e-08,2.29324e-06,1.59759e-06,8.57621e-09,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.94087e-20,6.05161e-17,5.22936e-18,1.24755e-17,2.03054e-13,1.80606e-16,7.14763e-20,1.59258e-13,6.20178e-18,0,0,0,0,0,0,0,0,0.571429,0,0,0,0,0,
200.00017,1001.02,0.257544,101325,0.28571,9.52673e-07,1.04858e-07,0.142853,3.51432e-08,3.57978e-06,2.46988e-06,1.37119e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.74091e-20,1.4618e-16,1.26169e-17,3.00475e-17,3.16083e-13,4.35781e-16,2.6581e-19,2.47601e-13,1.49495e-17,0,0,0,0,0,0,0,0,0.57143,0,0,0,0,0,
210.00018,1001.03,0.257542,101325,0.285707,1.488e-06,1.63716e-07,0.142851,5.55268e-08,5.6057e-06,3.81371e-06,2.21872e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.46588e-19,3.54849e-16,3.05674e-17,7.2538e-17,4.93712e-13,1.05568e-15,9.88515e-19,3.85278e-13,3.61676e-17,0,0,0,0,0,0,0,0,0.571431,0,0,0,0,0,
220.00019,1001.05,0.257538,101325,0.285703,2.33658e-06,2.56925e-07,0.142848,8.87267e-08,8.82632e-06,5.87936e-06,3.65466e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.31715e-19,8.68185e-16,7.45558e-17,1.75855e-16,7.75308e-13,2.57426e-15,3.68004e-18,6.0071e-13,8.80202e-17,0,0,0,0,0,0,0,0,0.571432,0,0,0,0,0,
230.0002,1001.08,0.257531,101325,0.285696,3.6995e-06,4.06412e-07,0.142842,1.44198e-07,1.40204e-05,9.04273e-06,6.16866e-08,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.62034e-18,2.15031e-15,1.83773e-16,4.29295e-16,1.22765e-12,6.34336e-15,1.37308e-17,9.39959e-13,2.16205e-16,0,0,0,0,0,0,0,0,0.571434,0,0,0,0,0,
240.00021,1001.12,0.257521,101325,0.285686,5.93191e-06,6.50743e-07,0.142834,2.40277e-07,2.25784e-05,1.38562e-05,1.07368e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.45462e-17,5.42717e-15,4.60411e-16,1.05956e-15,1.96874e-12,1.58897e-14,5.14149e-17,1.47945e-12,5.38655e-16,0,0,0,0,0,0,0,0,0.571437,0,0,0,0,0,
250.00022,1001.2,0.257502,101325,0.285668,9.6954e-06,1.06138e-06,0.14282,4.14985e-07,3.71251e-05,2.10959e-05,1.93477e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.12528e-17,1.40958e-14,1.18247e-15,2.66022e-15,3.21857e-12,4.08359e-14,1.93455e-16,2.35037e-12,1.371e-15,0,0,0,0,0,0,0,0,0.571442,0,0,0,0,0,
260.00023,1001.35,0.257469,101325,0.285638,1.63056e-05,1.77964e-06,0.142798,7.52945e-07,6.29565e-05,3.17455e-05,3.60428e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.7625e-16,3.82143e-14,3.15244e-15,6.85696e-15,5.41529e-12,1.09212e-13,7.31672e-16,3.78876e-12,3.60084e-15,0,0,0,0,0,0,0,0,0.571451,0,0,0,0,0,
270.00024,1001.62,0.257405,101325,0.285582,2.85789e-05,3.10633e-06,0.142761,1.45519e-06,0.000111566,4.67196e-05,6.86567e-07,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.3759e-15,1.10258e-13,8.8764e-15,1.83944e-14,9.49928e-12,3.10612e-13,2.77227e-15,6.24652e-12,9.88456e-15,0,0,0,0,0,0,0,0,0.571465,0,0,0,0,0,
280.00025,1002.18,0.257273,101325,0.285474,5.29958e-05,5.73121e-06,0.142696,3.01898e-06,0.000209625,6.58192e-05,1.30313e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.85278e-15,3.46343e-13,2.69591e-14,5.23349e-14,1.76448e-11,9.69479e-13,1.03702e-14,1.06572e-11,2.87141e-14,0,0,0,0,0,0,0,0,0.571491,0,0,0,0,0,
290.00026,1003.4,0.256984,101325,0.285248,0.000105243,1.13275e-05,0.142578,6.65056e-06,0.000421362,8.53783e-05,2.35051e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.28744e-14,1.20339e-12,8.97974e-14,1.61407e-13,3.51683e-11,3.45472e-12,3.67484e-14,1.91154e-11,8.8348e-14,0,0,0,0,0,0,0,0,0.571541,0,0,0,0,0,
300.00027,1006.13,0.256332,101325,0.284752,0.000223694,2.40375e-05,0.142341,1.50321e-05,0.000898571,9.75882e-05,3.76904e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.14622e-13,4.5521e-12,3.24278e-13,5.45958e-13,7.53649e-11,1.45296e-11,1.14624e-13,3.66848e-11,2.78117e-13,0,0,0,0,0,0,0,0,0.571645,0,0,0,0,0,
310.00028,1012.32,0.254865,101325,0.283618,0.000504671,5.44631e-05,0.141822,3.44782e-05,0.00199246,0.000100047,5.08032e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.51557e-12,1.76092e-11,1.18579e-12,1.97242e-12,1.73173e-10,7.25014e-11,3.09822e-13,7.65247e-11,8.3126e-13,0,0,0,0,0,0,0,0,0.57187,0,0,0,0,0,
320.00029,1026.77,0.251508,101325,0.280842,0.00124125,0.000135683,0.140565,8.53347e-05,0.00463524,9.86477e-05,5.49251e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.08679e-11,6.70986e-11,4.00119e-12,7.08871e-12,4.44057e-10,4.33428e-10,8.17376e-13,1.78576e-10,2.35014e-12,0,0,0,0,0,0,0,0,0.572391,0,0,0,0,0,
330.0003,1064.75,0.243114,101325,0.272609,0.00375009,0.000424114,0.136891,0.000263717,0.01221,9.42415e-05,3.91402e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.32663e-10,2.90095e-10,1.25592e-11,2.4165e-11,1.48695e-09,3.59555e-09,2.39456e-12,5.22137e-10,8.0933e-12,0,0,0,0,0,0,0,0,0.573754,0,0,0,0,0,
340.00031,1207.75,0.216213,101325,0.228238,0.0212092,0.00270999,0.117565,0.00176085,0.0496348,8.00734e-05,2.14309e-06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.28818e-09,2.74298e-09,5.51429e-11,8.3805e-11,1.15157e-08,8.73984e-08,1.4242e-11,3.32675e-09,7.84005e-11,0,0,0,0,0,0,0,0,0.5788,0,0,0,0,0,
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