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cantera/test_problems/cxx_ex/eq1_blessed.csv
Ray Speth 71bc4afe3b Replaced blessed file for cxx_ex equilibrium test 
This test uses an input file (silane.xml) that has discontinuous thermo data
(specifically, for s/R), so its results are affected by the corrections applied
to make the thermo functions continuous.
2013-04-18 22:07:05 +00:00

8.2 KiB
Raw Blame History

1equilibrium example 1: chemical equilibrium,
2Temperature (K),Pressure (Pa),H2,H,HE,SIH4,SI,SIH,SIH2,SIH3,H3SISIH,SI2H6,H2SISIH2,SI3H8,SI2,SI3
3500,1013.25,0.990006,6.92216e-20,0,0.00998856,2.88591e-30,7.68538e-27,2.19485e-18,9.62832e-15,1.22387e-20,5.69493e-06,7.3896e-16,1.7983e-08,7.29702e-35,6.28889e-31
4530,1013.25,0.990007,1.37159e-18,0,0.00998575,9.06343e-28,9.51448e-25,5.75097e-17,9.21362e-14,3.76559e-19,7.08422e-06,1.15512e-14,2.61761e-08,1.01542e-31,1.11429e-27
5560,1013.25,0.990009,1.97797e-17,0,0.00998256,1.54737e-25,7.0602e-23,1.06486e-15,6.93317e-13,8.08781e-18,8.66495e-06,1.35733e-13,3.70856e-08,6.57634e-29,9.01993e-25
6590,1013.25,0.990011,2.17885e-16,0,0.00997896,1.5744e-23,3.39239e-21,1.46824e-14,4.25437e-12,1.27954e-16,1.04413e-05,1.25081e-12,5.12862e-08,2.22339e-26,3.74831e-22
7620,1013.25,0.990013,1.90628e-15,0,0.00997496,1.02829e-21,1.12344e-19,1.57267e-13,2.19223e-11,1.55728e-15,1.24156e-05,9.35497e-12,6.93981e-08,4.3057e-24,8.78795e-20
8650,1013.25,0.990015,1.36746e-14,0,0.00997055,4.58083e-20,2.69826e-18,1.35465e-12,9.71612e-11,1.51079e-14,1.45883e-05,5.84029e-11,9.20778e-08,5.1525e-22,1.25578e-17
9680,1013.25,0.990017,8.25642e-14,0,0.00996572,1.46332e-18,4.902e-17,9.65509e-12,3.77782e-10,1.20314e-13,1.69583e-05,3.11495e-10,1.20009e-07,4.05644e-20,1.16589e-15
10710,1013.25,0.99002,4.28821e-13,0,0.00996049,3.49465e-17,6.97622e-16,5.83096e-11,1.31001e-09,8.06002e-13,1.9523e-05,1.44714e-09,1.53894e-07,2.21357e-18,7.41756e-14
11740,1013.25,0.990023,1.95117e-12,0,0.00995484,6.46135e-16,8.00912e-15,3.04395e-10,4.1076e-09,4.63656e-12,2.22786e-05,5.95241e-09,1.94441e-07,8.74789e-17,3.38213e-12
12770,1013.25,0.990026,7.89842e-12,0,0.00994877,9.52679e-15,7.60426e-14,1.39691e-09,1.17828e-08,2.33057e-11,2.52201e-05,2.19784e-08,2.42357e-07,2.59832e-15,1.148e-10
13800,1013.25,0.990029,2.88205e-11,0,0.00994223,1.1487e-13,6.09847e-13,5.71701e-09,3.12297e-08,1.03892e-10,2.83413e-05,7.37123e-08,2.98335e-07,5.98676e-14,2.9963e-09
14830,1013.25,0.990033,9.58626e-11,0,0.0099349,1.15736e-12,4.20664e-12,2.11235e-08,7.71303e-08,4.15975e-10,3.16337e-05,2.26826e-07,3.63018e-07,1.09938e-12,6.18248e-08
15860,1013.25,0.990039,2.93476e-10,0,0.00992386,9.92365e-12,2.53427e-11,7.11924e-08,1.78761e-07,1.51161e-09,3.50686e-05,6.45649e-07,4.36646e-07,1.64613e-11,1.0321e-06
16890,1013.25,0.99007,8.3388e-10,0,0.00987487,7.33322e-11,1.34689e-10,2.20113e-07,3.89902e-07,4.99817e-09,3.83636e-05,1.70105e-06,5.14192e-07,2.03655e-10,1.40847e-05
17920,1013.25,0.990339,2.21535e-09,0,0.00947143,4.58083e-10,6.18086e-10,6.08811e-07,7.78621e-07,1.4191e-08,3.87837e-05,3.90795e-06,5.3721e-07,1.98217e-09,0.00014477
18950,1013.25,0.99157,5.53996e-09,0,0.00763998,2.1334e-09,2.15656e-09,1.32257e-06,1.24761e-06,2.64907e-08,2.75725e-05,5.98536e-06,3.3045e-07,1.16995e-08,0.000753019
19980,1013.25,0.993432,1.31112e-08,0,0.00487255,7.0445e-09,5.4302e-09,2.13532e-06,1.51469e-06,2.8941e-08,1.21923e-05,5.43302e-06,9.95725e-08,3.75702e-08,0.00167369
201010,1013.25,0.994834,2.94949e-08,0,0.0027875,1.89307e-08,1.13031e-08,2.9258e-06,1.58754e-06,2.40047e-08,4.32219e-06,3.78728e-06,2.15199e-08,8.58812e-08,0.00236558
211040,1013.25,0.995661,6.3341e-08,0,0.00155678,4.54501e-08,2.13213e-08,3.72097e-06,1.56856e-06,1.79987e-08,1.45553e-06,2.4116e-06,4.30322e-09,1.67364e-07,0.00277292
221070,1013.25,0.996117,1.30369e-07,0,0.000876832,1.01428e-07,3.78776e-08,4.55596e-06,1.51359e-06,1.30723e-08,4.96938e-07,1.50173e-06,8.77766e-10,2.99318e-07,0.00299745
231100,1013.25,0.996367,2.58077e-07,0,0.000503993,2.14258e-07,6.44729e-08,5.45431e-06,1.44707e-06,9.45164e-09,1.76145e-07,9.39112e-07,1.8926e-10,5.06968e-07,0.00312022
241130,1013.25,0.996505,4.92903e-07,0,0.000296799,4.32615e-07,1.06079e-07,6.43108e-06,1.3793e-06,6.88021e-09,6.53431e-08,5.96034e-07,4.36567e-11,8.25563e-07,0.00318808
251160,1013.25,0.996582,9.10799e-07,0,0.000179206,8.39968e-07,1.69583e-07,7.49618e-06,1.31445e-06,5.06563e-09,2.54099e-08,3.85456e-07,1.08001e-11,1.30302e-06,0.00322611
261190,1013.25,0.996626,1.63236e-06,0,0.000110876,1.57486e-06,2.64318e-07,8.65636e-06,1.25402e-06,3.77854e-09,1.03475e-08,2.54275e-07,2.86113e-12,2.003e-06,0.00324758
271220,1013.25,0.99665,2.84389e-06,0,7.0215e-05,2.8604e-06,4.02671e-07,9.9163e-06,1.19837e-06,2.85635e-09,4.40331e-09,1.7107e-07,8.09128e-13,3.00837e-06,0.00325946
281250,1013.25,0.996662,4.82612e-06,0,4.54513e-05,5.04604e-06,6.00772e-07,1.12792e-05,1.14736e-06,2.18757e-09,1.95318e-09,1.17288e-07,2.43356e-13,4.4249e-06,0.00326546
291280,1013.25,0.996665,7.99222e-06,0,3.00326e-05,8.66502e-06,8.79245e-07,1.2747e-05,1.10063e-06,1.69635e-09,9.00736e-10,8.18656e-08,7.75414e-14,6.38519e-06,0.00326746
301310,1013.25,0.99666,1.29373e-05,0,2.02296e-05,1.45115e-05,1.26402e-06,1.43207e-05,1.05777e-06,1.33093e-09,4.30757e-10,5.81078e-08,2.6076e-14,9.05245e-06,0.00326631
311340,1013.25,0.996648,2.05016e-05,0,1.38729e-05,2.37416e-05,1.78716e-06,1.59999e-05,1.01835e-06,1.05569e-09,2.131e-10,4.18949e-08,9.22097e-15,1.26239e-05,0.0032622
321370,1013.25,0.996627,3.18495e-05,0,9.6739e-06,3.80018e-05,2.48765e-06,1.7783e-05,9.81935e-07,8.45857e-10,1.088e-10,3.06469e-08,3.41688e-15,1.73336e-05,0.00325483
331400,1013.25,0.996594,4.85662e-05,0,6.8514e-06,5.95889e-05,3.41217e-06,1.96667e-05,9.48129e-07,6.84024e-10,5.72009e-11,2.27205e-08,1.32236e-15,2.3453e-05,0.00324348
341430,1013.25,0.996545,7.27761e-05,0,4.92277e-06,9.16416e-05,4.61554e-06,2.16455e-05,9.16531e-07,5.57791e-10,3.09002e-11,1.70513e-08,5.32778e-16,3.12897e-05,0.00322705
351460,1013.25,0.996475,0.000107282,0,3.58437e-06,0.000138362,6.161e-06,2.37114e-05,8.86747e-07,4.58238e-10,1.71155e-11,1.29388e-08,2.22767e-16,4.11811e-05,0.00320396
361490,1013.25,0.996376,0.000155731,0,2.64188e-06,0.00020526,8.11977e-06,2.58522e-05,8.58379e-07,3.78867e-10,9.7001e-12,9.9149e-09,9.63633e-17,5.34824e-05,0.00317217
371520,1013.25,0.996239,0.000222803,0,1.96894e-06,0.0002994,1.05699e-05,2.80514e-05,8.31015e-07,3.14898e-10,5.61307e-12,7.66245e-09,4.29889e-17,6.85444e-05,0.0031291
381550,1013.25,0.996052,0.000314431,0,1.48208e-06,0.000429616,1.35938e-05,3.02857e-05,8.04221e-07,2.62776e-10,3.30908e-12,5.96343e-09,1.97135e-17,8.66784e-05,0.00307157
391580,1013.25,0.9958,0.000438047,0,1.1254e-06,0.000606648,1.72736e-05,3.2524e-05,7.77523e-07,2.19833e-10,1.98282e-12,4.66615e-09,9.26031e-18,0.000108103,0.00299582
401610,1013.25,0.995466,0.000602855,0,8.60943e-07,0.00084309,2.16847e-05,3.47247e-05,7.50409e-07,1.8405e-10,1.20456e-12,3.6638e-09,4.43919e-18,0.000132868,0.00289757
411640,1013.25,0.995029,0.000820133,0,6.62582e-07,0.00115304,2.68849e-05,3.68333e-05,7.22312e-07,1.53892e-10,7.39809e-13,2.88038e-09,2.16258e-18,0.000160748,0.00277224
421670,1013.25,0.994466,0.00110356,0,5.12143e-07,0.00155122,3.28993e-05,3.87797e-05,6.92612e-07,1.28185e-10,4.57892e-13,2.26132e-09,1.06551e-18,0.000191117,0.00261529
431700,1013.25,0.993752,0.00146958,0,3.96829e-07,0.0020514,3.96995e-05,4.04754e-05,6.6064e-07,1.06041e-10,2.84539e-13,1.76718e-09,5.2801e-19,0.000222785,0.00242294
441730,1013.25,0.992862,0.00193775,0,3.07544e-07,0.00266364,4.71771e-05,4.1812e-05,6.25695e-07,8.67912e-11,1.76747e-13,1.36933e-09,2.61446e-19,0.000253858,0.00219309
451760,1013.25,0.991771,0.00253118,0,2.37768e-07,0.00339036,5.5112e-05,4.26614e-05,5.87092e-07,6.99561e-11,1.09175e-13,1.04707e-09,1.28348e-19,0.00028164,0.00192684
461790,1013.25,0.990463,0.00327691,0,1.82805e-07,0.00422101,6.31418e-05,4.28818e-05,5.4425e-07,5.52167e-11,6.66471e-14,7.85578e-10,6.1894e-20,0.000302707,0.00163012
471820,1013.25,0.988925,0.00420636,0,1.39272e-07,0.00512644,7.07476e-05,4.2333e-05,4.96865e-07,4.23981e-11,3.99253e-14,5.74432e-10,2.9011e-20,0.000313304,0.00131539
481850,1013.25,0.987157,0.00535582,0,1.04749e-07,0.00605561,7.72833e-05,4.09087e-05,4.45173e-07,3.14484e-11,2.32957e-14,4.06471e-10,1.30695e-20,0.00031024,0.00100211
491880,1013.25,0.985166,0.00676686,0,7.75201e-08,0.00693957,8.2088e-05,3.85869e-05,3.90271e-07,2.23957e-11,1.31531e-14,2.76607e-10,5.60387e-21,0.000292259,0.000714392
501910,1013.25,0.982949,0.00848681,0,5.63568e-08,0.0077078,8.46903e-05,3.54819e-05,3.34315e-07,1.52686e-11,7.16287e-15,1.80493e-10,2.27578e-21,0.000261298,0.000474667
511940,1013.25,0.980483,0.0105691,0,4.02944e-08,0.00831296,8.50159e-05,3.18559e-05,2.80229e-07,9.9931e-12,3.77121e-15,1.13235e-10,8.78488e-22,0.000222435,0.000295265
521970,1013.25,0.977711,0.0130734,0,2.84486e-08,0.00874737,8.34245e-05,2.80489e-05,2.30838e-07,6.33258e-12,1.93531e-15,6.88828e-11,3.26311e-22,0.000181936,0.00017425