diff --git a/examples/cxx/equil_example1.cpp b/examples/cxx/equil_example1.cpp index 50939f0de..6a3e07604 100755 --- a/examples/cxx/equil_example1.cpp +++ b/examples/cxx/equil_example1.cpp @@ -75,13 +75,17 @@ int equil_example1(int job) { int ntemps = 50; // number of temperatures Array2D output(nsp+2, ntemps); - + // main loop doublereal temp; + doublereal thigh = gas.maxTemp(); + doublereal tlow = 500.0; + doublereal dt = (thigh - tlow)/(ntemps - 1); doublereal pres = 0.01*OneAtm; clock_t t0 = clock(); for (int i = 0; i < ntemps; i++) { - temp = 500.0 + 50.0*i; + temp = tlow + dt*i; + if (temp > gas.maxTemp()) break; gas.setState_TPX(temp, pres, "SIH4:0.01, H2:1.0"); try { equilibrate(gas,TP); diff --git a/test_problems/cxx_ex/eq1_blessed.csv b/test_problems/cxx_ex/eq1_blessed.csv index 2b2bc1595..b2519f1ec 100644 --- a/test_problems/cxx_ex/eq1_blessed.csv +++ b/test_problems/cxx_ex/eq1_blessed.csv @@ -1,52 +1,52 @@ equilibrium example 1: chemical equilibrium, Temperature (K),Pressure (Pa),H2,H,HE,SIH4,SI,SIH,SIH2,SIH3,H3SISIH,SI2H6,H2SISIH2,SI3H8,SI2,SI3, -500,1013.25,0.990105,6.9225e-20,0,0.00988999,2.85e-30,7.59018e-27,2.16775e-18,9.50995e-15,1.19385e-20,5.47294e-06,7.20832e-16,1.68372e-08,7.06689e-35,6.05703e-31, -550,1013.25,0.990107,8.39173e-18,0,0.00988537,2.93158e-26,1.74857e-23,4.12009e-16,3.58281e-13,2.94715e-18,7.76233e-06,6.00235e-14,3.07329e-08,7.94497e-30,1.01105e-25, -600,1013.25,0.99011,4.59846e-16,0,0.00987973,6.56406e-23,1.1196e-20,3.28532e-14,7.39942e-12,2.9573e-16,1.0551e-05,2.44419e-12,5.23844e-08,1.31738e-25,2.37085e-21, -650,1013.25,0.990113,1.36753e-14,0,0.00987304,4.53129e-20,2.66923e-18,1.34014e-12,9.61251e-11,1.4786e-14,1.38472e-05,5.71582e-11,8.43058e-08,4.97644e-22,1.21548e-17, -700,1013.25,0.990117,2.51508e-13,0,0.00986531,1.23752e-17,2.92171e-16,3.22361e-11,8.66801e-10,4.26347e-13,1.76469e-05,8.61712e-10,1.2922e-07,5.85041e-19,1.87242e-14, -750,1013.25,0.990121,3.14828e-12,0,0.00985652,1.60631e-15,1.71291e-14,5.07653e-10,5.83303e-09,7.89677e-12,2.19361e-05,9.12135e-09,1.89953e-07,2.69338e-16,1.09597e-11, -800,1013.25,0.990126,2.8822e-11,0,0.00984661,1.13756e-13,6.03964e-13,5.66211e-09,3.09314e-08,1.01907e-10,2.66926e-05,7.23036e-08,2.69321e-07,5.77313e-14,2.90994e-09, -850,1013.25,0.990133,2.03886e-10,0,0.00983381,4.88502e-12,1.39955e-11,4.75004e-08,1.34733e-07,9.75016e-10,3.18773e-05,4.50879e-07,3.69846e-07,6.57804e-12,4.01455e-07, -900,1013.25,0.990202,1.16323e-09,0,0.00972611,1.36836e-10,2.26273e-10,3.11194e-07,4.93324e-07,7.12604e-09,3.67512e-05,2.25625e-06,4.80046e-07,4.33643e-10,3.11136e-05, -950,1013.25,0.991639,5.54015e-09,0,0.00758746,2.12005e-09,2.14315e-09,1.31439e-06,1.23994e-06,2.6164e-08,2.59638e-05,5.91151e-06,2.97724e-07,1.13305e-08,0.00073897, -1000,1013.25,0.994482,2.26318e-08,0,0.00335921,1.37735e-08,8.94034e-09,2.65302e-06,1.57126e-06,2.57714e-08,5.82849e-06,4.30336e-06,3.29534e-08,6.48787e-08,0.002144, -1050,1013.25,0.995879,8.09393e-08,0,0.00128017,5.95912e-08,2.58725e-08,3.97909e-06,1.54702e-06,1.60895e-08,1.05991e-06,2.04589e-06,2.73477e-09,2.07469e-07,0.0028321, -1100,1013.25,0.9964,2.58081e-07,0,0.00050292,2.13527e-07,6.42538e-08,5.43589e-06,1.4422e-06,9.38801e-09,1.84489e-07,9.32777e-07,2.06004e-10,5.14431e-07,0.00308841, -1150,1013.25,0.996594,7.44849e-07,0,0.000211036,6.73792e-07,1.44979e-07,7.10734e-06,1.33123e-06,5.56522e-09,3.63312e-08,4.41827e-07,1.86342e-11,1.13997e-06,0.00318374, -1200,1013.25,0.996668,1.97019e-06,0,9.48056e-05,1.92164e-06,3.03874e-07,9.03543e-06,1.23092e-06,3.41459e-09,8.13761e-09,2.20875e-07,2.04041e-12,2.33627e-06,0.00322027, -1250,1013.25,0.996694,4.8262e-06,0,4.53755e-05,5.02943e-06,5.98801e-07,1.12424e-05,1.14363e-06,2.17335e-09,2.05453e-09,1.16524e-07,2.66869e-13,4.49787e-06,0.00323331, -1300,1013.25,0.996695,1.10454e-05,0,2.29939e-05,1.22122e-05,1.11842e-06,1.37394e-05,1.06817e-06,1.43185e-09,5.77841e-10,6.46007e-08,4.09675e-14,8.20997e-06,0.00323483, -1350,1013.25,0.996674,2.37957e-05,0,1.22616e-05,2.77457e-05,1.99222e-06,1.65285e-05,1.00261e-06,9.73063e-10,1.78949e-10,3.74434e-08,7.25473e-15,1.42979e-05,0.00322789, -1400,1013.25,0.996626,4.8567e-05,0,6.84153e-06,5.93904e-05,3.40084e-06,1.96017e-05,9.45013e-07,6.79523e-10,6.03614e-11,2.25707e-08,1.45826e-15,2.38664e-05,0.00321116, -1450,1013.25,0.996533,9.44319e-05,0,3.97302e-06,0.000120441,5.58475e-06,2.29368e-05,8.93513e-07,4.85642e-10,2.19531e-11,1.40746e-08,3.2774e-16,3.83073e-05,0.00318009, -1500,1013.25,0.996367,0.000175757,0,2.38908e-06,0.000232412,8.84741e-06,2.64891e-05,8.46282e-07,3.53609e-10,8.52492e-12,9.02885e-09,8.11683e-17,5.9232e-05,0.00312669, -1550,1013.25,0.996084,0.000314437,0,1.47993e-06,0.00042809,1.35456e-05,3.01791e-05,8.01401e-07,2.60927e-10,3.49981e-12,5.92151e-09,2.18277e-17,8.8254e-05,0.00303895, -1600,1013.25,0.995621,0.000542701,0,9.39194e-07,0.000754014,2.00544e-05,3.38731e-05,7.56738e-07,1.93846e-10,1.50289e-12,3.94112e-09,6.27344e-18,0.000126501,0.00290049, -1650,1013.25,0.994891,0.000906523,0,6.06771e-07,0.00127017,2.86852e-05,3.73563e-05,7.09825e-07,1.43737e-10,6.66829e-13,2.63706e-09,1.89209e-18,0.000173692,0.00269129, -1700,1013.25,0.993789,0.00146961,0,3.96005e-07,0.00204246,3.95271e-05,4.03005e-05,6.57796e-07,1.05125e-10,3.01139e-13,1.75193e-09,5.85549e-19,0.000226654,0.0023914, -1750,1013.25,0.992199,0.00231792,0,2.58509e-07,0.00312028,5.21779e-05,4.22337e-05,5.97483e-07,7.45875e-11,1.35745e-13,1.13593e-09,1.80607e-19,0.000277434,0.00198969, -1800,1013.25,0.990024,0.00356471,0,1.66601e-07,0.00449063,6.53777e-05,4.25469e-05,5.2596e-07,5.01583e-11,5.95221e-14,7.01943e-10,5.34191e-20,0.000312201,0.00150023, -1850,1013.25,0.987216,0.00535598,0,1.04289e-07,0.00601415,7.67562e-05,4.06311e-05,4.42163e-07,3.10226e-11,2.4581e-14,4.00971e-10,1.44356e-20,0.00031427,0.000981666, -1900,1013.25,0.983785,0.00787629,0,6.24504e-08,0.00740782,8.34042e-05,3.62969e-05,3.50094e-07,1.71531e-11,9.27492e-15,2.05721e-10,3.40567e-21,0.000275706,0.000534995, -1950,1013.25,0.97968,0.0113543,0,3.56863e-08,0.00839874,8.39029e-05,3.0314e-05,2.60762e-07,8.45472e-12,3.1826e-15,9.44924e-11,6.96616e-22,0.000210662,0.000242166, +500,1013.25,0.990105,6.9225e-20,0,0.00988999,2.85e-30,7.59018e-27,2.16775e-18,9.50995e-15,1.19385e-20,5.47294e-06,7.20832e-16,1.68372e-08,7.06688e-35,6.05703e-31, +530.612,1013.25,0.990106,1.45278e-18,0,0.00988728,1.00019e-27,1.03137e-24,6.05079e-17,9.50835e-14,3.92694e-19,6.81622e-06,1.18904e-14,2.45531e-08,1.12963e-31,1.241e-27, +561.224,1013.25,0.990107,2.19248e-17,0,0.0098842,1.86461e-25,8.23891e-23,1.1779e-15,7.40784e-13,8.89442e-18,8.34441e-06,1.45843e-13,3.48332e-08,8.16495e-29,1.12755e-24, +591.837,1013.25,0.990109,2.50404e-16,0,0.00988072,2.03477e-23,4.19789e-21,1.69011e-14,4.67303e-12,1.46815e-16,1.00611e-05,1.391e-12,4.82176e-08,3.01237e-26,5.13838e-22, +622.449,1013.25,0.990111,2.2549e-15,0,0.00987686,1.40537e-21,1.4568e-19,1.86878e-13,2.46168e-11,1.84866e-15,1.19682e-05,1.06953e-11,6.5287e-08,6.25433e-24,1.29708e-19, +653.061,1013.25,0.990113,1.65529e-14,0,0.0098726,6.54681e-20,3.63223e-18,1.6511e-12,1.11046e-10,1.84314e-14,1.40655e-05,6.82757e-11,8.66538e-08,7.91226e-22,1.96667e-17, +683.673,1013.25,0.990116,1.01804e-13,0,0.00986795,2.16741e-18,6.79881e-17,1.20091e-11,4.379e-10,1.50036e-13,1.63515e-05,3.70758e-10,1.12953e-07,6.51156e-20,1.91473e-15, +714.286,1013.25,0.990118,5.366e-13,0,0.0098629,5.32573e-17,9.90862e-16,7.37068e-11,1.53567e-09,1.02294e-12,1.88233e-05,1.74758e-09,1.44834e-07,3.68084e-18,1.26535e-13, +744.898,1013.25,0.990121,2.47038e-12,0,0.00985747,1.00722e-15,1.15924e-14,3.89733e-10,4.85842e-09,5.96764e-12,2.14766e-05,7.27218e-09,1.82949e-07,1.49578e-16,5.94669e-12, +775.51,1013.25,0.990124,1.00935e-11,0,0.00985162,1.5118e-14,1.11711e-13,1.80666e-09,1.40353e-08,3.03321e-11,2.43062e-05,2.71017e-08,2.27946e-07,4.541e-15,2.0673e-10, +806.122,1013.25,0.990127,3.70991e-11,0,0.00984529,1.84839e-13,9.06307e-13,7.45211e-09,3.74052e-08,1.36401e-10,2.73057e-05,9.15639e-08,2.80452e-07,1.06413e-13,5.49727e-09, +836.735,1013.25,0.990131,1.24095e-10,0,0.00983799,1.88224e-12,6.30693e-12,2.76993e-08,9.27722e-08,5.49823e-10,3.04653e-05,2.83366e-07,3.4103e-07,1.97928e-12,1.15059e-07, +867.347,1013.25,0.990138,3.8153e-10,0,0.00982444,1.62638e-11,3.82361e-11,9.37462e-08,2.15636e-07,2.00711e-09,3.374e-05,8.09676e-07,4.09566e-07,2.99007e-11,1.93987e-06, +897.959,1013.25,0.990193,1.08749e-09,0,0.00974104,1.20439e-10,2.03437e-10,2.89725e-07,4.69722e-07,6.61353e-09,3.66283e-05,2.12478e-06,4.7675e-07,3.69694e-10,2.63889e-05, +928.571,1013.25,0.990646,2.89572e-09,0,0.00906332,7.32391e-10,9.08228e-10,7.78868e-07,9.11265e-07,1.77088e-08,3.48203e-05,4.60234e-06,4.54112e-07,3.39801e-09,0.000248609, +959.184,1013.25,0.992203,7.25277e-09,0,0.00674825,3.1538e-09,2.92908e-09,1.56325e-06,1.34886e-06,2.81932e-08,2.10733e-05,6.01103e-06,2.19343e-07,1.71061e-08,0.00101817, +989.796,1013.25,0.994008,1.71774e-08,0,0.00406491,9.8473e-09,6.97204e-09,2.38516e-06,1.54742e-06,2.7502e-08,8.30833e-06,4.87207e-06,5.5639e-08,4.90494e-08,0.00190991, +1020.41,1013.25,0.995213,3.86465e-08,0,0.00227168,2.58088e-08,1.4151e-08,3.1865e-06,1.58135e-06,2.16935e-08,3.09522e-06,3.23029e-06,1.33416e-08,1.11041e-07,0.0025041, +1051.02,1013.25,0.995895,8.2968e-08,0,0.00125531,6.12593e-08,2.63895e-08,4.00712e-06,1.54525e-06,1.59163e-08,1.02174e-06,2.01322e-06,2.59035e-09,2.11682e-07,0.00284031, +1081.63,1013.25,0.996265,1.70652e-07,0,0.000703893,1.35872e-07,4.66008e-08,4.87899e-06,1.48331e-06,1.14452e-08,3.46126e-07,1.24161e-06,5.22442e-10,3.74474e-07,0.00302228, +1112.24,1013.25,0.996466,3.37492e-07,0,0.000403974,2.85903e-07,7.90327e-08,5.82329e-06,1.4145e-06,8.23758e-09,1.22435e-07,7.73209e-07,1.12339e-10,6.30473e-07,0.00312088, +1142.86,1013.25,0.996576,6.43789e-07,0,0.000237897,5.75586e-07,1.29699e-07,6.85355e-06,1.34658e-06,5.98521e-09,4.54585e-08,4.90031e-07,2.59556e-11,1.02288e-06,0.00317506, +1173.47,1013.25,0.996637,1.1879e-06,0,0.000143762,1.11473e-06,2.06907e-07,7.97873e-06,1.28253e-06,4.40461e-09,1.77214e-08,3.16907e-07,6.44696e-12,1.61022e-06,0.00320521, +1204.08,1013.25,0.996671,2.12552e-06,0,8.90666e-05,2.08501e-06,3.21878e-07,9.20493e-06,1.22331e-06,3.28648e-09,7.24129e-09,2.09227e-07,1.71715e-12,2.47001e-06,0.00322196, +1234.69,1013.25,0.996689,3.69653e-06,0,5.64968e-05,3.77798e-06,4.89458e-07,1.05363e-05,1.16902e-06,2.48623e-09,3.09378e-09,1.40945e-07,4.88638e-13,3.70281e-06,0.00323085, +1265.31,1013.25,0.996696,6.26115e-06,0,3.6639e-05,6.64863e-06,7.28911e-07,1.19757e-05,1.11936e-06,1.906e-09,1.37826e-09,9.67845e-08,1.47954e-13,5.43652e-06,0.00323475, +1295.92,1013.25,0.996695,1.0348e-05,0,2.42575e-05,1.13886e-05,1.06478e-06,1.35246e-05,1.07393e-06,1.47967e-09,6.38479e-10,6.76698e-08,4.74736e-14,7.83077e-06,0.00323503, +1326.53,1013.25,0.996687,1.67158e-05,0,1.63729e-05,1.90237e-05,1.5278e-06,1.51832e-05,1.03228e-06,1.16227e-09,3.06749e-10,4.81166e-08,1.60786e-14,1.10811e-05,0.0032322, +1357.14,1013.25,0.99667,2.64325e-05,0,1.12512e-05,3.10409e-05,2.15578e-06,1.69505e-05,9.93941e-07,9.22955e-10,1.52453e-10,3.47522e-08,5.72622e-15,1.54223e-05,0.00322617, +1387.76,1013.25,0.996641,4.09728e-05,0,7.86172e-06,4.95479e-05,2.99448e-06,1.88237e-05,9.58485e-07,7.40275e-10,7.81905e-11,2.54642e-08,2.13673e-15,2.11306e-05,0.00321635, +1418.37,1013.25,0.996598,6.23382e-05,0,5.5789e-06,7.74689e-05,4.09827e-06,2.07982e-05,9.25482e-07,5.9916e-10,4.12879e-11,1.89066e-08,8.32504e-16,2.85231e-05,0.00320176, +1448.98,1013.25,0.996536,9.32012e-05,0,4.01587e-06,0.000118776,5.53053e-06,2.28664e-05,8.94515e-07,4.88884e-10,2.23955e-11,1.42066e-08,3.37534e-16,3.79535e-05,0.00318091, +1479.59,1013.25,0.996446,0.000137077,0,2.92889e-06,0.000178747,7.3635e-06,2.50171e-05,8.65164e-07,4.01721e-10,1.24509e-11,1.07896e-08,1.41939e-16,4.98007e-05,0.00315185, +1510.2,1013.25,0.996321,0.000198522,0,2.16178e-06,0.000264243,9.67733e-06,2.72344e-05,8.36997e-07,3.32039e-10,7.07888e-12,8.27104e-09,6.1701e-17,6.44489e-05,0.00311204, +1540.82,1013.25,0.996148,0.000283365,0,1.61281e-06,0.000383957,1.25578e-05,2.94962e-05,8.09562e-07,2.75708e-10,4.10632e-12,6.38996e-09,2.76308e-17,8.22532e-05,0.00305833, +1571.43,1013.25,0.995912,0.000398971,0,1.2147e-06,0.000548598,1.60925e-05,3.17721e-05,7.82369e-07,2.29637e-10,2.42441e-12,4.96692e-09,1.27008e-17,0.000103486,0.00298693, +1602.04,1013.25,0.995597,0.00055453,0,9.22316e-07,0.000770912,2.03635e-05,3.40212e-05,7.54885e-07,1.91514e-10,1.45306e-12,3.87689e-09,5.96908e-18,0.000128262,0.00289348, +1632.65,1013.25,0.995181,0.000761387,0,7.04959e-07,0.00106539,2.54378e-05,3.61894e-05,7.26526e-07,1.59592e-10,8.81496e-13,3.03181e-09,2.85584e-18,0.000156423,0.0027732, +1663.27,1013.25,0.99464,0.00103339,0,5.41482e-07,0.00144751,3.13512e-05,3.82066e-05,6.96646e-07,1.32543e-10,5.39483e-13,2.36901e-09,1.3841e-18,0.000187407,0.00262129, +1693.88,1013.25,0.993948,0.0013873,0,4.17148e-07,0.00193212,3.80877e-05,3.99833e-05,6.64547e-07,1.09366e-10,3.31812e-13,1.84356e-09,6.75656e-19,0.000220071,0.00243352, +1724.49,1013.25,0.993078,0.00184314,0,3.21574e-07,0.00253082,4.55509e-05,4.14089e-05,6.29489e-07,8.9311e-11,2.04173e-13,1.42311e-09,3.29969e-19,0.000252522,0.00220732, +1755.1,1013.25,0.992006,0.00242471,0,2.47384e-07,0.00324783,5.35306e-05,4.23509e-05,5.9074e-07,7.18369e-11,1.25013e-13,1.08437e-09,1.59923e-19,0.000281996,0.00194319, +1785.71,1013.25,0.990709,0.00315998,0,1.89301e-07,0.0040744,6.16681e-05,4.26611e-05,5.47663e-07,5.65813e-11,7.56798e-14,8.10759e-10,7.61858e-20,0.000304901,0.0016466, +1816.33,1013.25,0.989177,0.00408161,0,1.43551e-07,0.00498261,6.94371e-05,4.21899e-05,4.99893e-07,4.334e-11,4.4963e-14,5.90665e-10,3.52814e-20,0.000317195,0.00132977, +1846.94,1013.25,0.987406,0.00522744,0,1.07447e-07,0.00592125,7.6168e-05,4.08199e-05,4.47608e-07,3.20447e-11,2.60098e-14,4.16144e-10,1.5695e-20,0.000315323,0.00101247, +1877.55,1013.25,0.985402,0.00664099,0,7.91006e-08,0.00681911,8.11604e-05,3.85185e-05,3.91891e-07,2.27191e-11,1.45461e-14,2.81629e-10,6.63617e-21,0.000297707,0.000719821, +1908.16,1013.25,0.983165,0.00837198,0,5.71662e-08,0.00760165,8.38999e-05,3.53972e-05,3.34958e-07,1.53942e-11,7.8356e-15,1.82459e-10,2.6521e-21,0.000266198,0.000475645, +1938.78,1013.25,0.98067,0.0104767,0,4.0602e-08,0.0082177,8.42882e-05,3.17267e-05,2.79876e-07,9.99548e-12,4.07456e-15,1.13455e-10,1.00519e-21,0.00022614,0.000293392, +1969.39,1013.25,0.977857,0.0130182,0,2.84599e-08,0.00865811,8.26927e-05,2.78649e-05,2.2964e-07,6.27507e-12,2.06289e-15,6.83136e-11,3.6598e-22,0.000184262,0.000171296, 2000,1013.25,0.974637,0.0160666,0,1.98026e-08,0.00894948,7.97393e-05,2.41312e-05,1.86159e-07,3.85561e-12,1.02886e-15,4.03158e-11,1.30286e-22,0.000145858,9.64624e-05, -2050,1013.25,0.968227,0.0223401,0,1.09242e-08,0.00920773,7.3503e-05,1.87805e-05,1.30569e-07,1.70924e-12,3.28618e-16,1.67825e-11,2.39341e-23,9.6403e-05,3.65063e-05, -2100,1013.25,0.959977,0.0305521,0,6.07949e-09,0.00931299,6.68668e-05,1.45271e-05,9.14042e-08,7.60319e-13,1.06849e-16,7.03384e-12,4.5181e-24,6.29445e-05,1.38006e-05, -2150,1013.25,0.949413,0.0411287,0,3.4315e-09,0.0093397,6.05128e-05,1.12483e-05,6.42802e-08,3.43859e-13,3.57725e-17,3.00664e-12,8.91836e-25,4.12399e-05,5.32852e-06, -2200,1013.25,0.93605,0.0545367,0,1.96534e-09,0.00932034,5.46385e-05,8.73688e-06,4.54802e-08,1.58626e-13,1.23517e-17,1.31476e-12,1.84583e-25,2.72685e-05,2.11718e-06, -2250,1013.25,0.919385,0.0712713,0,1.14021e-09,0.00926811,4.92608e-05,6.80727e-06,3.23523e-08,7.45671e-14,4.38689e-18,5.8744e-13,3.99132e-26,1.82243e-05,8.66774e-07, -2300,1013.25,0.898914,0.0918354,0,6.6832e-10,0.00918794,4.43389e-05,5.31511e-06,2.31e-08,3.56199e-14,1.59556e-18,2.67391e-13,8.96084e-27,1.23082e-05,3.65196e-07, -2350,1013.25,0.874155,0.116712,0,3.94536e-10,0.00908125,3.98194e-05,4.15299e-06,1.65209e-08,1.72287e-14,5.91169e-19,1.23527e-13,2.07329e-27,8.39273e-06,1.58003e-07, -2400,1013.25,0.844683,0.146324,0,2.33798e-10,0.00894803,3.56522e-05,3.24198e-06,1.18073e-08,8.40432e-15,2.21868e-19,5.76793e-14,4.90432e-28,5.77111e-06,7.00206e-08, -2450,1013.25,0.81018,0.180994,0,1.38589e-10,0.00878793,3.17959e-05,2.52406e-06,8.41161e-09,4.11761e-15,8.38512e-20,2.71055e-14,1.17629e-28,3.99688e-06,3.1702e-08, -2500,1013.25,0.770482,0.220884,0,8.18853e-11,0.00860087,2.82194e-05,1.95636e-06,5.95817e-09,2.01773e-15,3.17233e-20,1.27645e-14,2.83693e-29,2.78467e-06,1.46284e-08, -2550,1013.25,0.725639,0.265945,0,4.80534e-11,0.00838756,2.49016e-05,1.50691e-06,4.18546e-09,9.84875e-16,1.19441e-20,5.99824e-15,6.82382e-30,1.9497e-06,6.86476e-09, -2600,1013.25,0.675965,0.315861,0,2.79118e-11,0.00814983,2.18304e-05,1.15156e-06,2.90872e-09,4.77004e-16,4.45032e-21,2.80155e-15,1.62429e-30,1.37077e-06,3.27061e-09, -2650,1013.25,0.622081,0.370007,0,1.59955e-11,0.00789088,1.90008e-05,8.71768e-07,1.99532e-09,2.2845e-16,1.6325e-21,1.29595e-15,3.79894e-31,9.67332e-07,1.58016e-09, -2700,1013.25,0.564929,0.427438,0,9.01862e-12,0.00761545,1.6413e-05,6.52995e-07,1.34848e-09,1.07885e-16,5.86967e-22,5.92006e-16,8.67754e-32,6.85167e-07,7.73814e-10, -2750,1013.25,0.505754,0.486901,0,4.99175e-12,0.00732969,1.40693e-05,4.83585e-07,8.96581e-10,5.01395e-17,2.0616e-22,2.66514e-16,1.92698e-32,4.87349e-07,3.84209e-10, -2800,1013.25,0.446036,0.54691,0,2.70851e-12,0.00704088,1.19716e-05,3.53979e-07,5.86035e-10,2.29117e-17,7.059e-23,1.18127e-16,4.14907e-33,3.48454e-07,1.93632e-10, -2850,1013.25,0.387376,0.605856,0,1.44014e-12,0.00675687,1.0119e-05,2.56197e-07,3.76593e-10,1.02979e-17,2.3554e-23,5.15626e-17,8.65856e-34,2.50818e-07,9.92364e-11, -2900,1013.25,0.331344,0.662162,0,7.50923e-13,0.00648535,8.50563e-06,1.83524e-07,2.38147e-10,4.56003e-18,7.66971e-24,2.22007e-17,1.75494e-34,1.82083e-07,5.18424e-11, -2950,1013.25,0.279313,0.714446,0,3.84707e-13,0.00623307,7.11992e-06,1.30324e-07,1.48468e-10,1.9951e-18,2.44495e-24,9.45512e-18,3.47006e-35,1.33572e-07,2.76783e-11, diff --git a/test_problems/cxx_ex/eq1_blessed.dat b/test_problems/cxx_ex/eq1_blessed.dat index 753bc4f1c..5dbd6e674 100644 --- a/test_problems/cxx_ex/eq1_blessed.dat +++ b/test_problems/cxx_ex/eq1_blessed.dat @@ -19,53 +19,53 @@ VARIABLES = ZONE T="zone1" I=50,J=1,K=1,F=POINT DT=( SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE SINGLE ) -500 1013.25 0.990105 6.9225e-20 0 0.00988999 2.85e-30 7.59018e-27 2.16775e-18 9.50995e-15 1.19385e-20 5.47294e-06 7.20832e-16 1.68372e-08 7.06689e-35 6.05703e-31 -550 1013.25 0.990107 8.39173e-18 0 0.00988537 2.93158e-26 1.74857e-23 4.12009e-16 3.58281e-13 2.94715e-18 7.76233e-06 6.00235e-14 3.07329e-08 7.94497e-30 1.01105e-25 -600 1013.25 0.99011 4.59846e-16 0 0.00987973 6.56406e-23 1.1196e-20 3.28532e-14 7.39942e-12 2.9573e-16 1.0551e-05 2.44419e-12 5.23844e-08 1.31738e-25 2.37085e-21 -650 1013.25 0.990113 1.36753e-14 0 0.00987304 4.53129e-20 2.66923e-18 1.34014e-12 9.61251e-11 1.4786e-14 1.38472e-05 5.71582e-11 8.43058e-08 4.97644e-22 1.21548e-17 -700 1013.25 0.990117 2.51508e-13 0 0.00986531 1.23752e-17 2.92171e-16 3.22361e-11 8.66801e-10 4.26347e-13 1.76469e-05 8.61712e-10 1.2922e-07 5.85041e-19 1.87242e-14 -750 1013.25 0.990121 3.14828e-12 0 0.00985652 1.60631e-15 1.71291e-14 5.07653e-10 5.83303e-09 7.89677e-12 2.19361e-05 9.12135e-09 1.89953e-07 2.69338e-16 1.09597e-11 -800 1013.25 0.990126 2.8822e-11 0 0.00984661 1.13756e-13 6.03964e-13 5.66211e-09 3.09314e-08 1.01907e-10 2.66926e-05 7.23036e-08 2.69321e-07 5.77313e-14 2.90994e-09 -850 1013.25 0.990133 2.03886e-10 0 0.00983381 4.88502e-12 1.39955e-11 4.75004e-08 1.34733e-07 9.75016e-10 3.18773e-05 4.50879e-07 3.69846e-07 6.57804e-12 4.01455e-07 -900 1013.25 0.990202 1.16323e-09 0 0.00972611 1.36836e-10 2.26273e-10 3.11194e-07 4.93324e-07 7.12604e-09 3.67512e-05 2.25625e-06 4.80046e-07 4.33643e-10 3.11136e-05 -950 1013.25 0.991639 5.54015e-09 0 0.00758746 2.12005e-09 2.14315e-09 1.31439e-06 1.23994e-06 2.6164e-08 2.59638e-05 5.91151e-06 2.97724e-07 1.13305e-08 0.00073897 -1000 1013.25 0.994482 2.26318e-08 0 0.00335921 1.37735e-08 8.94034e-09 2.65302e-06 1.57126e-06 2.57714e-08 5.82849e-06 4.30336e-06 3.29534e-08 6.48787e-08 0.002144 -1050 1013.25 0.995879 8.09393e-08 0 0.00128017 5.95912e-08 2.58725e-08 3.97909e-06 1.54702e-06 1.60895e-08 1.05991e-06 2.04589e-06 2.73477e-09 2.07469e-07 0.0028321 -1100 1013.25 0.9964 2.58081e-07 0 0.00050292 2.13527e-07 6.42538e-08 5.43589e-06 1.4422e-06 9.38801e-09 1.84489e-07 9.32777e-07 2.06004e-10 5.14431e-07 0.00308841 -1150 1013.25 0.996594 7.44849e-07 0 0.000211036 6.73792e-07 1.44979e-07 7.10734e-06 1.33123e-06 5.56522e-09 3.63312e-08 4.41827e-07 1.86342e-11 1.13997e-06 0.00318374 -1200 1013.25 0.996668 1.97019e-06 0 9.48056e-05 1.92164e-06 3.03874e-07 9.03543e-06 1.23092e-06 3.41459e-09 8.13761e-09 2.20875e-07 2.04041e-12 2.33627e-06 0.00322027 -1250 1013.25 0.996694 4.8262e-06 0 4.53755e-05 5.02943e-06 5.98801e-07 1.12424e-05 1.14363e-06 2.17335e-09 2.05453e-09 1.16524e-07 2.66869e-13 4.49787e-06 0.00323331 -1300 1013.25 0.996695 1.10454e-05 0 2.29939e-05 1.22122e-05 1.11842e-06 1.37394e-05 1.06817e-06 1.43185e-09 5.77841e-10 6.46007e-08 4.09675e-14 8.20997e-06 0.00323483 -1350 1013.25 0.996674 2.37957e-05 0 1.22616e-05 2.77457e-05 1.99222e-06 1.65285e-05 1.00261e-06 9.73063e-10 1.78949e-10 3.74434e-08 7.25473e-15 1.42979e-05 0.00322789 -1400 1013.25 0.996626 4.8567e-05 0 6.84153e-06 5.93904e-05 3.40084e-06 1.96017e-05 9.45013e-07 6.79523e-10 6.03614e-11 2.25707e-08 1.45826e-15 2.38664e-05 0.00321116 -1450 1013.25 0.996533 9.44319e-05 0 3.97302e-06 0.000120441 5.58475e-06 2.29368e-05 8.93513e-07 4.85642e-10 2.19531e-11 1.40746e-08 3.2774e-16 3.83073e-05 0.00318009 -1500 1013.25 0.996367 0.000175757 0 2.38908e-06 0.000232412 8.84741e-06 2.64891e-05 8.46282e-07 3.53609e-10 8.52492e-12 9.02885e-09 8.11683e-17 5.9232e-05 0.00312669 -1550 1013.25 0.996084 0.000314437 0 1.47993e-06 0.00042809 1.35456e-05 3.01791e-05 8.01401e-07 2.60927e-10 3.49981e-12 5.92151e-09 2.18277e-17 8.8254e-05 0.00303895 -1600 1013.25 0.995621 0.000542701 0 9.39194e-07 0.000754014 2.00544e-05 3.38731e-05 7.56738e-07 1.93846e-10 1.50289e-12 3.94112e-09 6.27344e-18 0.000126501 0.00290049 -1650 1013.25 0.994891 0.000906523 0 6.06771e-07 0.00127017 2.86852e-05 3.73563e-05 7.09825e-07 1.43737e-10 6.66829e-13 2.63706e-09 1.89209e-18 0.000173692 0.00269129 -1700 1013.25 0.993789 0.00146961 0 3.96005e-07 0.00204246 3.95271e-05 4.03005e-05 6.57796e-07 1.05125e-10 3.01139e-13 1.75193e-09 5.85549e-19 0.000226654 0.0023914 -1750 1013.25 0.992199 0.00231792 0 2.58509e-07 0.00312028 5.21779e-05 4.22337e-05 5.97483e-07 7.45875e-11 1.35745e-13 1.13593e-09 1.80607e-19 0.000277434 0.00198969 -1800 1013.25 0.990024 0.00356471 0 1.66601e-07 0.00449063 6.53777e-05 4.25469e-05 5.2596e-07 5.01583e-11 5.95221e-14 7.01943e-10 5.34191e-20 0.000312201 0.00150023 -1850 1013.25 0.987216 0.00535598 0 1.04289e-07 0.00601415 7.67562e-05 4.06311e-05 4.42163e-07 3.10226e-11 2.4581e-14 4.00971e-10 1.44356e-20 0.00031427 0.000981666 -1900 1013.25 0.983785 0.00787629 0 6.24504e-08 0.00740782 8.34042e-05 3.62969e-05 3.50094e-07 1.71531e-11 9.27492e-15 2.05721e-10 3.40567e-21 0.000275706 0.000534995 -1950 1013.25 0.97968 0.0113543 0 3.56863e-08 0.00839874 8.39029e-05 3.0314e-05 2.60762e-07 8.45472e-12 3.1826e-15 9.44924e-11 6.96616e-22 0.000210662 0.000242166 +500 1013.25 0.990105 6.9225e-20 0 0.00988999 2.85e-30 7.59018e-27 2.16775e-18 9.50995e-15 1.19385e-20 5.47294e-06 7.20832e-16 1.68372e-08 7.06688e-35 6.05703e-31 +530.612 1013.25 0.990106 1.45278e-18 0 0.00988728 1.00019e-27 1.03137e-24 6.05079e-17 9.50835e-14 3.92694e-19 6.81622e-06 1.18904e-14 2.45531e-08 1.12963e-31 1.241e-27 +561.224 1013.25 0.990107 2.19248e-17 0 0.0098842 1.86461e-25 8.23891e-23 1.1779e-15 7.40784e-13 8.89442e-18 8.34441e-06 1.45843e-13 3.48332e-08 8.16495e-29 1.12755e-24 +591.837 1013.25 0.990109 2.50404e-16 0 0.00988072 2.03477e-23 4.19789e-21 1.69011e-14 4.67303e-12 1.46815e-16 1.00611e-05 1.391e-12 4.82176e-08 3.01237e-26 5.13838e-22 +622.449 1013.25 0.990111 2.2549e-15 0 0.00987686 1.40537e-21 1.4568e-19 1.86878e-13 2.46168e-11 1.84866e-15 1.19682e-05 1.06953e-11 6.5287e-08 6.25433e-24 1.29708e-19 +653.061 1013.25 0.990113 1.65529e-14 0 0.0098726 6.54681e-20 3.63223e-18 1.6511e-12 1.11046e-10 1.84314e-14 1.40655e-05 6.82757e-11 8.66538e-08 7.91226e-22 1.96667e-17 +683.673 1013.25 0.990116 1.01804e-13 0 0.00986795 2.16741e-18 6.79881e-17 1.20091e-11 4.379e-10 1.50036e-13 1.63515e-05 3.70758e-10 1.12953e-07 6.51156e-20 1.91473e-15 +714.286 1013.25 0.990118 5.366e-13 0 0.0098629 5.32573e-17 9.90862e-16 7.37068e-11 1.53567e-09 1.02294e-12 1.88233e-05 1.74758e-09 1.44834e-07 3.68084e-18 1.26535e-13 +744.898 1013.25 0.990121 2.47038e-12 0 0.00985747 1.00722e-15 1.15924e-14 3.89733e-10 4.85842e-09 5.96764e-12 2.14766e-05 7.27218e-09 1.82949e-07 1.49578e-16 5.94669e-12 +775.51 1013.25 0.990124 1.00935e-11 0 0.00985162 1.5118e-14 1.11711e-13 1.80666e-09 1.40353e-08 3.03321e-11 2.43062e-05 2.71017e-08 2.27946e-07 4.541e-15 2.0673e-10 +806.122 1013.25 0.990127 3.70991e-11 0 0.00984529 1.84839e-13 9.06307e-13 7.45211e-09 3.74052e-08 1.36401e-10 2.73057e-05 9.15639e-08 2.80452e-07 1.06413e-13 5.49727e-09 +836.735 1013.25 0.990131 1.24095e-10 0 0.00983799 1.88224e-12 6.30693e-12 2.76993e-08 9.27722e-08 5.49823e-10 3.04653e-05 2.83366e-07 3.4103e-07 1.97928e-12 1.15059e-07 +867.347 1013.25 0.990138 3.8153e-10 0 0.00982444 1.62638e-11 3.82361e-11 9.37462e-08 2.15636e-07 2.00711e-09 3.374e-05 8.09676e-07 4.09566e-07 2.99007e-11 1.93987e-06 +897.959 1013.25 0.990193 1.08749e-09 0 0.00974104 1.20439e-10 2.03437e-10 2.89725e-07 4.69722e-07 6.61353e-09 3.66283e-05 2.12478e-06 4.7675e-07 3.69694e-10 2.63889e-05 +928.571 1013.25 0.990646 2.89572e-09 0 0.00906332 7.32391e-10 9.08228e-10 7.78868e-07 9.11265e-07 1.77088e-08 3.48203e-05 4.60234e-06 4.54112e-07 3.39801e-09 0.000248609 +959.184 1013.25 0.992203 7.25277e-09 0 0.00674825 3.1538e-09 2.92908e-09 1.56325e-06 1.34886e-06 2.81932e-08 2.10733e-05 6.01103e-06 2.19343e-07 1.71061e-08 0.00101817 +989.796 1013.25 0.994008 1.71774e-08 0 0.00406491 9.8473e-09 6.97204e-09 2.38516e-06 1.54742e-06 2.7502e-08 8.30833e-06 4.87207e-06 5.5639e-08 4.90494e-08 0.00190991 +1020.41 1013.25 0.995213 3.86465e-08 0 0.00227168 2.58088e-08 1.4151e-08 3.1865e-06 1.58135e-06 2.16935e-08 3.09522e-06 3.23029e-06 1.33416e-08 1.11041e-07 0.0025041 +1051.02 1013.25 0.995895 8.2968e-08 0 0.00125531 6.12593e-08 2.63895e-08 4.00712e-06 1.54525e-06 1.59163e-08 1.02174e-06 2.01322e-06 2.59035e-09 2.11682e-07 0.00284031 +1081.63 1013.25 0.996265 1.70652e-07 0 0.000703893 1.35872e-07 4.66008e-08 4.87899e-06 1.48331e-06 1.14452e-08 3.46126e-07 1.24161e-06 5.22442e-10 3.74474e-07 0.00302228 +1112.24 1013.25 0.996466 3.37492e-07 0 0.000403974 2.85903e-07 7.90327e-08 5.82329e-06 1.4145e-06 8.23758e-09 1.22435e-07 7.73209e-07 1.12339e-10 6.30473e-07 0.00312088 +1142.86 1013.25 0.996576 6.43789e-07 0 0.000237897 5.75586e-07 1.29699e-07 6.85355e-06 1.34658e-06 5.98521e-09 4.54585e-08 4.90031e-07 2.59556e-11 1.02288e-06 0.00317506 +1173.47 1013.25 0.996637 1.1879e-06 0 0.000143762 1.11473e-06 2.06907e-07 7.97873e-06 1.28253e-06 4.40461e-09 1.77214e-08 3.16907e-07 6.44696e-12 1.61022e-06 0.00320521 +1204.08 1013.25 0.996671 2.12552e-06 0 8.90666e-05 2.08501e-06 3.21878e-07 9.20493e-06 1.22331e-06 3.28648e-09 7.24129e-09 2.09227e-07 1.71715e-12 2.47001e-06 0.00322196 +1234.69 1013.25 0.996689 3.69653e-06 0 5.64968e-05 3.77798e-06 4.89458e-07 1.05363e-05 1.16902e-06 2.48623e-09 3.09378e-09 1.40945e-07 4.88638e-13 3.70281e-06 0.00323085 +1265.31 1013.25 0.996696 6.26115e-06 0 3.6639e-05 6.64863e-06 7.28911e-07 1.19757e-05 1.11936e-06 1.906e-09 1.37826e-09 9.67845e-08 1.47954e-13 5.43652e-06 0.00323475 +1295.92 1013.25 0.996695 1.0348e-05 0 2.42575e-05 1.13886e-05 1.06478e-06 1.35246e-05 1.07393e-06 1.47967e-09 6.38479e-10 6.76698e-08 4.74736e-14 7.83077e-06 0.00323503 +1326.53 1013.25 0.996687 1.67158e-05 0 1.63729e-05 1.90237e-05 1.5278e-06 1.51832e-05 1.03228e-06 1.16227e-09 3.06749e-10 4.81166e-08 1.60786e-14 1.10811e-05 0.0032322 +1357.14 1013.25 0.99667 2.64325e-05 0 1.12512e-05 3.10409e-05 2.15578e-06 1.69505e-05 9.93941e-07 9.22955e-10 1.52453e-10 3.47522e-08 5.72622e-15 1.54223e-05 0.00322617 +1387.76 1013.25 0.996641 4.09728e-05 0 7.86172e-06 4.95479e-05 2.99448e-06 1.88237e-05 9.58485e-07 7.40275e-10 7.81905e-11 2.54642e-08 2.13673e-15 2.11306e-05 0.00321635 +1418.37 1013.25 0.996598 6.23382e-05 0 5.5789e-06 7.74689e-05 4.09827e-06 2.07982e-05 9.25482e-07 5.9916e-10 4.12879e-11 1.89066e-08 8.32504e-16 2.85231e-05 0.00320176 +1448.98 1013.25 0.996536 9.32012e-05 0 4.01587e-06 0.000118776 5.53053e-06 2.28664e-05 8.94515e-07 4.88884e-10 2.23955e-11 1.42066e-08 3.37534e-16 3.79535e-05 0.00318091 +1479.59 1013.25 0.996446 0.000137077 0 2.92889e-06 0.000178747 7.3635e-06 2.50171e-05 8.65164e-07 4.01721e-10 1.24509e-11 1.07896e-08 1.41939e-16 4.98007e-05 0.00315185 +1510.2 1013.25 0.996321 0.000198522 0 2.16178e-06 0.000264243 9.67733e-06 2.72344e-05 8.36997e-07 3.32039e-10 7.07888e-12 8.27104e-09 6.1701e-17 6.44489e-05 0.00311204 +1540.82 1013.25 0.996148 0.000283365 0 1.61281e-06 0.000383957 1.25578e-05 2.94962e-05 8.09562e-07 2.75708e-10 4.10632e-12 6.38996e-09 2.76308e-17 8.22532e-05 0.00305833 +1571.43 1013.25 0.995912 0.000398971 0 1.2147e-06 0.000548598 1.60925e-05 3.17721e-05 7.82369e-07 2.29637e-10 2.42441e-12 4.96692e-09 1.27008e-17 0.000103486 0.00298693 +1602.04 1013.25 0.995597 0.00055453 0 9.22316e-07 0.000770912 2.03635e-05 3.40212e-05 7.54885e-07 1.91514e-10 1.45306e-12 3.87689e-09 5.96908e-18 0.000128262 0.00289348 +1632.65 1013.25 0.995181 0.000761387 0 7.04959e-07 0.00106539 2.54378e-05 3.61894e-05 7.26526e-07 1.59592e-10 8.81496e-13 3.03181e-09 2.85584e-18 0.000156423 0.0027732 +1663.27 1013.25 0.99464 0.00103339 0 5.41482e-07 0.00144751 3.13512e-05 3.82066e-05 6.96646e-07 1.32543e-10 5.39483e-13 2.36901e-09 1.3841e-18 0.000187407 0.00262129 +1693.88 1013.25 0.993948 0.0013873 0 4.17148e-07 0.00193212 3.80877e-05 3.99833e-05 6.64547e-07 1.09366e-10 3.31812e-13 1.84356e-09 6.75656e-19 0.000220071 0.00243352 +1724.49 1013.25 0.993078 0.00184314 0 3.21574e-07 0.00253082 4.55509e-05 4.14089e-05 6.29489e-07 8.9311e-11 2.04173e-13 1.42311e-09 3.29969e-19 0.000252522 0.00220732 +1755.1 1013.25 0.992006 0.00242471 0 2.47384e-07 0.00324783 5.35306e-05 4.23509e-05 5.9074e-07 7.18369e-11 1.25013e-13 1.08437e-09 1.59923e-19 0.000281996 0.00194319 +1785.71 1013.25 0.990709 0.00315998 0 1.89301e-07 0.0040744 6.16681e-05 4.26611e-05 5.47663e-07 5.65813e-11 7.56798e-14 8.10759e-10 7.61858e-20 0.000304901 0.0016466 +1816.33 1013.25 0.989177 0.00408161 0 1.43551e-07 0.00498261 6.94371e-05 4.21899e-05 4.99893e-07 4.334e-11 4.4963e-14 5.90665e-10 3.52814e-20 0.000317195 0.00132977 +1846.94 1013.25 0.987406 0.00522744 0 1.07447e-07 0.00592125 7.6168e-05 4.08199e-05 4.47608e-07 3.20447e-11 2.60098e-14 4.16144e-10 1.5695e-20 0.000315323 0.00101247 +1877.55 1013.25 0.985402 0.00664099 0 7.91006e-08 0.00681911 8.11604e-05 3.85185e-05 3.91891e-07 2.27191e-11 1.45461e-14 2.81629e-10 6.63617e-21 0.000297707 0.000719821 +1908.16 1013.25 0.983165 0.00837198 0 5.71662e-08 0.00760165 8.38999e-05 3.53972e-05 3.34958e-07 1.53942e-11 7.8356e-15 1.82459e-10 2.6521e-21 0.000266198 0.000475645 +1938.78 1013.25 0.98067 0.0104767 0 4.0602e-08 0.0082177 8.42882e-05 3.17267e-05 2.79876e-07 9.99548e-12 4.07456e-15 1.13455e-10 1.00519e-21 0.00022614 0.000293392 +1969.39 1013.25 0.977857 0.0130182 0 2.84599e-08 0.00865811 8.26927e-05 2.78649e-05 2.2964e-07 6.27507e-12 2.06289e-15 6.83136e-11 3.6598e-22 0.000184262 0.000171296 2000 1013.25 0.974637 0.0160666 0 1.98026e-08 0.00894948 7.97393e-05 2.41312e-05 1.86159e-07 3.85561e-12 1.02886e-15 4.03158e-11 1.30286e-22 0.000145858 9.64624e-05 -2050 1013.25 0.968227 0.0223401 0 1.09242e-08 0.00920773 7.3503e-05 1.87805e-05 1.30569e-07 1.70924e-12 3.28618e-16 1.67825e-11 2.39341e-23 9.6403e-05 3.65063e-05 -2100 1013.25 0.959977 0.0305521 0 6.07949e-09 0.00931299 6.68668e-05 1.45271e-05 9.14042e-08 7.60319e-13 1.06849e-16 7.03384e-12 4.5181e-24 6.29445e-05 1.38006e-05 -2150 1013.25 0.949413 0.0411287 0 3.4315e-09 0.0093397 6.05128e-05 1.12483e-05 6.42802e-08 3.43859e-13 3.57725e-17 3.00664e-12 8.91836e-25 4.12399e-05 5.32852e-06 -2200 1013.25 0.93605 0.0545367 0 1.96534e-09 0.00932034 5.46385e-05 8.73688e-06 4.54802e-08 1.58626e-13 1.23517e-17 1.31476e-12 1.84583e-25 2.72685e-05 2.11718e-06 -2250 1013.25 0.919385 0.0712713 0 1.14021e-09 0.00926811 4.92608e-05 6.80727e-06 3.23523e-08 7.45671e-14 4.38689e-18 5.8744e-13 3.99132e-26 1.82243e-05 8.66774e-07 -2300 1013.25 0.898914 0.0918354 0 6.6832e-10 0.00918794 4.43389e-05 5.31511e-06 2.31e-08 3.56199e-14 1.59556e-18 2.67391e-13 8.96084e-27 1.23082e-05 3.65196e-07 -2350 1013.25 0.874155 0.116712 0 3.94536e-10 0.00908125 3.98194e-05 4.15299e-06 1.65209e-08 1.72287e-14 5.91169e-19 1.23527e-13 2.07329e-27 8.39273e-06 1.58003e-07 -2400 1013.25 0.844683 0.146324 0 2.33798e-10 0.00894803 3.56522e-05 3.24198e-06 1.18073e-08 8.40432e-15 2.21868e-19 5.76793e-14 4.90432e-28 5.77111e-06 7.00206e-08 -2450 1013.25 0.81018 0.180994 0 1.38589e-10 0.00878793 3.17959e-05 2.52406e-06 8.41161e-09 4.11761e-15 8.38512e-20 2.71055e-14 1.17629e-28 3.99688e-06 3.1702e-08 -2500 1013.25 0.770482 0.220884 0 8.18853e-11 0.00860087 2.82194e-05 1.95636e-06 5.95817e-09 2.01773e-15 3.17233e-20 1.27645e-14 2.83693e-29 2.78467e-06 1.46284e-08 -2550 1013.25 0.725639 0.265945 0 4.80534e-11 0.00838756 2.49016e-05 1.50691e-06 4.18546e-09 9.84875e-16 1.19441e-20 5.99824e-15 6.82382e-30 1.9497e-06 6.86476e-09 -2600 1013.25 0.675965 0.315861 0 2.79118e-11 0.00814983 2.18304e-05 1.15156e-06 2.90872e-09 4.77004e-16 4.45032e-21 2.80155e-15 1.62429e-30 1.37077e-06 3.27061e-09 -2650 1013.25 0.622081 0.370007 0 1.59955e-11 0.00789088 1.90008e-05 8.71768e-07 1.99532e-09 2.2845e-16 1.6325e-21 1.29595e-15 3.79894e-31 9.67332e-07 1.58016e-09 -2700 1013.25 0.564929 0.427438 0 9.01862e-12 0.00761545 1.6413e-05 6.52995e-07 1.34848e-09 1.07885e-16 5.86967e-22 5.92006e-16 8.67754e-32 6.85167e-07 7.73814e-10 -2750 1013.25 0.505754 0.486901 0 4.99175e-12 0.00732969 1.40693e-05 4.83585e-07 8.96581e-10 5.01395e-17 2.0616e-22 2.66514e-16 1.92698e-32 4.87349e-07 3.84209e-10 -2800 1013.25 0.446036 0.54691 0 2.70851e-12 0.00704088 1.19716e-05 3.53979e-07 5.86035e-10 2.29117e-17 7.059e-23 1.18127e-16 4.14907e-33 3.48454e-07 1.93632e-10 -2850 1013.25 0.387376 0.605856 0 1.44014e-12 0.00675687 1.0119e-05 2.56197e-07 3.76593e-10 1.02979e-17 2.3554e-23 5.15626e-17 8.65856e-34 2.50818e-07 9.92364e-11 -2900 1013.25 0.331344 0.662162 0 7.50923e-13 0.00648535 8.50563e-06 1.83524e-07 2.38147e-10 4.56003e-18 7.66971e-24 2.22007e-17 1.75494e-34 1.82083e-07 5.18424e-11 -2950 1013.25 0.279313 0.714446 0 3.84707e-13 0.00623307 7.11992e-06 1.30324e-07 1.48468e-10 1.9951e-18 2.44495e-24 9.45512e-18 3.47006e-35 1.33572e-07 2.76783e-11 diff --git a/test_problems/silane_equil/output_blessed.txt b/test_problems/silane_equil/output_blessed.txt index b345fe46f..9ea6b576c 100644 --- a/test_problems/silane_equil/output_blessed.txt +++ b/test_problems/silane_equil/output_blessed.txt @@ -1,31 +1,31 @@ - temperature 2000 K + temperature 1500 K pressure 100 Pa - density 1.33171e-05 kg/m^3 - mean mol. weight 2.21449 amu + density 1.8314e-05 kg/m^3 + mean mol. weight 2.28407 amu 1 kg 1 kmol ----------- ------------ - enthalpy 3.03232e+07 6.715e+07 J - internal energy 2.2814e+07 5.052e+07 J - entropy 111336 2.466e+05 J/K - Gibbs function -1.9235e+08 -4.26e+08 J - heat capacity c_p 15110.9 3.346e+04 J/K - heat capacity c_v 11356.3 2.515e+04 J/K + enthalpy 1.70171e+07 3.887e+07 J + internal energy 1.15568e+07 2.64e+07 J + entropy 103868 2.372e+05 J/K + Gibbs function -1.38785e+08 -3.17e+08 J + heat capacity c_p 14161.9 3.235e+04 J/K + heat capacity c_v 10521.7 2.403e+04 J/K X Y ------------- ------------ - H2 9.402287e-01 8.559021e-01 - H 5.023175e-02 2.286330e-02 + H2 9.953950e-01 8.785164e-01 + H 5.591889e-04 2.467647e-04 HE 0.000000e+00 0.000000e+00 - SIH4 1.904176e-10 2.761668e-09 - SI 9.493714e-03 1.204049e-01 - SIH 2.610042e-05 3.429007e-04 - SIH2 2.437203e-06 3.312867e-05 - SIH3 5.801418e-09 8.149868e-08 - H3SISIH 3.881514e-15 1.055221e-13 - SI2H6 9.861394e-20 2.770670e-18 - H2SISIH2 4.058658e-14 1.103379e-12 - SI3H8 1.244730e-28 5.189160e-27 - SI2 1.619905e-05 4.108919e-04 - SI3 1.121605e-06 4.267458e-05 + SIH4 1.053936e-07 1.481980e-06 + SI 1.054687e-03 1.296867e-02 + SIH 1.260697e-05 1.605815e-04 + SIH2 1.185200e-05 1.561952e-04 + SIH3 1.188964e-07 1.619381e-06 + H3SISIH 6.986416e-12 1.841453e-10 + SI2H6 1.660661e-14 4.523674e-13 + H2SISIH2 1.783874e-10 4.701867e-09 + SI3H8 6.982080e-21 2.822087e-19 + SI2 1.203841e-04 2.960540e-03 + SI3 2.846070e-03 1.049878e-01 diff --git a/test_problems/silane_equil/silane_equil.cpp b/test_problems/silane_equil/silane_equil.cpp index 5e9bf677f..4b66d3f2e 100644 --- a/test_problems/silane_equil/silane_equil.cpp +++ b/test_problems/silane_equil/silane_equil.cpp @@ -15,7 +15,7 @@ int main(int argc, char **argv) { try { IdealGasMix g("silane.xml", "silane"); - g.setState_TPX(2000.0, 100.0, "SIH4:0.01, H2:0.99"); + g.setState_TPX(1500.0, 100.0, "SIH4:0.01, H2:0.99"); equilibrate(g, TP); cout << g; return 0;