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This commit is contained in:
Nicholas Malaya 2012-07-16 19:56:40 +00:00
parent 1147addeb8
commit 312e5b742a
2 changed files with 46 additions and 46 deletions
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12
test_problems/cathermo/HMW_dupl_test/HMW_dupl_test.cpp
View file

@ -245,8 +245,8 @@ int main(int argc, char** argv)
}
if (i != TTable.NPoints+1) {
printf("%4.4f, %4.4f, %4.4f, %4.4f, %4.4f, %4.4f, "
"%4.4f, %4.4f, %4.4f, %4.4f\n",
printf("%13.5f, %13.5f, %13.5f, %13.5f, %13.5f, %13.5f, "
"%13.5f, %13.5f, %13.5f, %13.5f\n",
T, pres*1.0E-5, Aphi, AJ/GasConstant, Delta_Cp0s, Delta_Cps,
J, phiJ, molarCp , molarCp0);
#ifdef DEBUG_HKM
@ -262,16 +262,16 @@ int main(int argc, char** argv)
printf(" Species MoleFrac Molal Cp0 "
" partCp (partCp - Cp0)\n");
printf(" H2O(L)");
printf("%4.4f %4.4f %4.4f %4.4f %4.4f\n", Xmol[0], moll[0], Cp0_H2O , Cp_H2O, Cp_H2O-Cp0_H2O);
printf("%13.5f %13.5f %13.5f %13.5f %13.5f\n", Xmol[0], moll[0], Cp0_H2O , Cp_H2O, Cp_H2O-Cp0_H2O);
printf(" Na+ ");
printf("%4.4f %4.4f %4.4f %4.4f %4.4f\n", Xmol[i1], moll[i1],
printf("%13.5f %13.5f %13.5f %13.5f %13.5f\n", Xmol[i1], moll[i1],
Cp0_Naplus , Cp_Naplus, Cp_Naplus -Cp0_Naplus);
printf(" Cl- ");
printf("%4.4f %4.4f %4.4f %4.4f %4.4f\n", Xmol[i2], moll[i2],
printf("%13.5f %13.5f %13.5f %13.5f %13.5f\n", Xmol[i2], moll[i2],
Cp0_Clminus , Cp_Clminus, Cp_Clminus - Cp0_Clminus);
printf(" NaCl(s)");
printf("%4.4f %4.4f %4.4f %4.4f\n", 1.0,
printf("%13.5f %13.5f %13.5f %13.5f\n", 1.0,
Cp0_NaCl , Cp_NaCl, Cp_NaCl - Cp0_NaCl);
#ifdef DEBUG_HKM

80
test_problems/cathermo/HMW_dupl_test/output_blessed.txt
View file

@ -15,28 +15,28 @@ phiJ: phiJ, calculated from the program, is checked
T, Pres, Aphi, A_J/R, Delta_Cp0, Delta_Cps, J, phiJ, MolarCp, MolarCp0
Kelvin, bar, sqrt(kg/gmol), sqrt(kg/gmol), kJ/gmolSalt, kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt, kJ/gmol, kJ/gmol
273.1500, 1.0132, 0.3767, 4.0857, -0.1590, -0.0365, 0.0111, 0.1225, 0.0634, 0.0523
298.1500, 1.0132, 0.3914, 4.6122, -0.1308, -0.0200, 0.0100, 0.1108, 0.0644, 0.0544
323.1500, 1.0132, 0.4103, 5.5026, -0.1157, -0.0106, 0.0095, 0.1051, 0.0653, 0.0558
348.1500, 1.0132, 0.4333, 6.7255, -0.1138, -0.0087, 0.0095, 0.1051, 0.0657, 0.0562
373.1500, 1.0142, 0.4606, 8.3544, -0.1250, -0.0136, 0.0101, 0.1114, 0.0657, 0.0556
398.1500, 2.3224, 0.4925, 10.5437, -0.1493, -0.0238, 0.0114, 0.1255, 0.0653, 0.0539
423.1500, 4.7616, 0.5295, 13.5812, -0.1868, -0.0365, 0.0136, 0.1503, 0.0650, 0.0514
448.1500, 8.9260, 0.5726, 17.9960, -0.2373, -0.0467, 0.0173, 0.1906, 0.0653, 0.0480
473.1500, 15.5493, 0.6228, 24.8259, -0.3010, -0.0444, 0.0233, 0.2566, 0.0671, 0.0439
498.1500, 25.4972, 0.6820, 36.2734, -0.3778, -0.0087, 0.0335, 0.3692, 0.0727, 0.0392
523.1500, 39.7617, 0.7534, 57.5195, -0.4677, 0.1102, 0.0524, 0.5779, 0.0867, 0.0344
548.1500, 59.4639, 0.8422, 102.5412, -0.5707, 0.4458, 0.0921, 1.0165, 0.1221, 0.0299
573.1500, 85.8790, 0.9593, 217.1283, -0.6867, 1.4360, 0.1924, 2.1227, 0.2200, 0.0276
598.1500, 120.5101, 1.1302, 604.2292, -0.8157, 5.0214, 0.5291, 5.8370, 0.5609, 0.0318
623.1500, 165.2941, 1.4387, 2813.6209, -0.9577, 26.0203, 2.4455, 26.9781, 2.5130, 0.0674
323.1500, 1.0132, 0.4103, 5.5026, -0.1157, -0.0106, 0.0095, 0.1051, 0.0653, 0.0558
273.15000, 1.01325, 0.37672, 4.08572, -0.15898, -0.03647, 0.01110, 0.12250, 0.06345, 0.05234
298.15000, 1.01325, 0.39145, 4.61223, -0.13080, -0.01996, 0.01005, 0.11084, 0.06444, 0.05439
323.15000, 1.01325, 0.41029, 5.50262, -0.11572, -0.01059, 0.00953, 0.10513, 0.06534, 0.05581
348.15000, 1.01325, 0.43327, 6.72552, -0.11377, -0.00869, 0.00953, 0.10508, 0.06573, 0.05620
373.15000, 1.01418, 0.46056, 8.35441, -0.12496, -0.01358, 0.01010, 0.11139, 0.06566, 0.05556
398.15000, 2.32238, 0.49245, 10.54375, -0.14929, -0.02376, 0.01138, 0.12553, 0.06531, 0.05393
423.15000, 4.76165, 0.52952, 13.58116, -0.18675, -0.03649, 0.01362, 0.15026, 0.06500, 0.05138
448.15000, 8.92602, 0.57255, 17.99600, -0.23734, -0.04670, 0.01728, 0.19064, 0.06527, 0.04799
473.15000, 15.54928, 0.62277, 24.82590, -0.30104, -0.04445, 0.02326, 0.25659, 0.06713, 0.04387
498.15000, 25.49724, 0.68204, 36.27336, -0.37783, -0.00866, 0.03346, 0.36917, 0.07268, 0.03921
523.15000, 39.76175, 0.75339, 57.51946, -0.46771, 0.11020, 0.05239, 0.57792, 0.08674, 0.03435
548.15000, 59.46393, 0.84221, 102.54121, -0.57066, 0.44582, 0.09214, 1.01648, 0.12209, 0.02995
573.15000, 85.87905, 0.95926, 217.12828, -0.68666, 1.43602, 0.19242, 2.12268, 0.21997, 0.02756
598.15000, 120.51014, 1.13024, 604.22923, -0.81569, 5.02135, 0.52912, 5.83705, 0.56094, 0.03182
623.15000, 165.29415, 1.43872, 2813.62087, -0.95774, 26.02033, 2.44552, 26.97807, 2.51297, 0.06745
323.15000, 1.01325, 0.41029, 5.50262, -0.11572, -0.01059, 0.00953, 0.10513, 0.06534, 0.05581
Breakdown of Heat Capacity Calculation at 323.15 K, 1atm:
Species MoleFrac Molal Cp0 partCp (partCp - Cp0)
H2O(L)0.8187 0.0000 0.0753 0.0696 -0.0057
Na+ 0.0906 6.1460 0.0284 0.1069 0.0785
Cl- 0.0906 6.1460 -0.0931 -0.0146 0.0785
NaCl(s)1.0000 0.0510 0.0510 0.0000
H2O(L) 0.81870 0.00000 0.07533 0.06959 -0.00574
Na+ 0.09065 6.14600 0.02842 0.10688 0.07846
Cl- 0.09065 6.14600 -0.09310 -0.01463 0.07846
NaCl(s) 1.00000 0.05104 0.05104 0.00000
A_J/R: Comparison to Pitzer's book, p. 99, can be made.
Agreement is within 12 pc
@ -54,25 +54,25 @@ phiJ: phiJ, calculated from the program, is checked
T, Pres, Aphi, A_J/R, Delta_Cp0, Delta_Cps, J, phiJ, MolarCp, MolarCp0
Kelvin, bar, sqrt(kg/gmol), sqrt(kg/gmol), kJ/gmolSalt, kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt, kJ/gmol, kJ/gmol
273.1500, 1.0132, 0.3767, 4.0857, -0.1590, -0.0365, 0.0111, 0.1225, 0.0634, 0.0523
298.1500, 1.0132, 0.3914, 4.6122, -0.1308, -0.0200, 0.0100, 0.1108, 0.0644, 0.0544
323.1500, 1.0132, 0.4103, 5.5026, -0.1157, -0.0106, 0.0095, 0.1051, 0.0653, 0.0558
348.1500, 1.0132, 0.4333, 6.7255, -0.1138, -0.0087, 0.0095, 0.1051, 0.0657, 0.0562
373.1500, 1.0142, 0.4606, 8.3544, -0.1250, -0.0136, 0.0101, 0.1114, 0.0657, 0.0556
398.1500, 2.3224, 0.4925, 10.5437, -0.1493, -0.0238, 0.0114, 0.1255, 0.0653, 0.0539
423.1500, 4.7616, 0.5295, 13.5812, -0.1868, -0.0365, 0.0136, 0.1503, 0.0650, 0.0514
448.1500, 8.9260, 0.5726, 17.9960, -0.2373, -0.0467, 0.0173, 0.1906, 0.0653, 0.0480
473.1500, 15.5493, 0.6228, 24.8259, -0.3010, -0.0444, 0.0233, 0.2566, 0.0671, 0.0439
498.1500, 25.4972, 0.6820, 36.2734, -0.3778, -0.0087, 0.0335, 0.3692, 0.0727, 0.0392
523.1500, 39.7617, 0.7534, 57.5195, -0.4677, 0.1102, 0.0524, 0.5779, 0.0867, 0.0344
548.1500, 59.4639, 0.8422, 102.5412, -0.5707, 0.4458, 0.0921, 1.0165, 0.1221, 0.0299
573.1500, 85.8790, 0.9593, 217.1283, -0.6867, 1.4360, 0.1924, 2.1227, 0.2200, 0.0276
598.1500, 120.5101, 1.1302, 604.2292, -0.8157, 5.0214, 0.5291, 5.8370, 0.5609, 0.0318
623.1500, 165.2941, 1.4387, 2813.6209, -0.9577, 26.0203, 2.4455, 26.9781, 2.5130, 0.0674
323.1500, 1.0132, 0.4103, 5.5026, -0.1157, -0.0106, 0.0095, 0.1051, 0.0653, 0.0558
273.15000, 1.01325, 0.37672, 4.08572, -0.15898, -0.03647, 0.01110, 0.12250, 0.06345, 0.05234
298.15000, 1.01325, 0.39145, 4.61223, -0.13080, -0.01996, 0.01005, 0.11084, 0.06444, 0.05439
323.15000, 1.01325, 0.41029, 5.50262, -0.11572, -0.01059, 0.00953, 0.10513, 0.06534, 0.05581
348.15000, 1.01325, 0.43327, 6.72552, -0.11377, -0.00869, 0.00953, 0.10508, 0.06573, 0.05620
373.15000, 1.01418, 0.46056, 8.35441, -0.12496, -0.01358, 0.01010, 0.11139, 0.06566, 0.05556
398.15000, 2.32238, 0.49245, 10.54375, -0.14929, -0.02376, 0.01138, 0.12553, 0.06531, 0.05393
423.15000, 4.76165, 0.52952, 13.58116, -0.18675, -0.03649, 0.01362, 0.15026, 0.06500, 0.05138
448.15000, 8.92602, 0.57255, 17.99600, -0.23734, -0.04670, 0.01728, 0.19064, 0.06527, 0.04799
473.15000, 15.54928, 0.62277, 24.82590, -0.30104, -0.04445, 0.02326, 0.25659, 0.06713, 0.04387
498.15000, 25.49724, 0.68204, 36.27336, -0.37783, -0.00866, 0.03346, 0.36917, 0.07268, 0.03921
523.15000, 39.76175, 0.75339, 57.51946, -0.46771, 0.11020, 0.05239, 0.57792, 0.08674, 0.03435
548.15000, 59.46393, 0.84221, 102.54121, -0.57066, 0.44582, 0.09214, 1.01648, 0.12209, 0.02995
573.15000, 85.87905, 0.95926, 217.12828, -0.68666, 1.43602, 0.19242, 2.12268, 0.21997, 0.02756
598.15000, 120.51014, 1.13024, 604.22923, -0.81569, 5.02135, 0.52912, 5.83705, 0.56094, 0.03182
623.15000, 165.29415, 1.43872, 2813.62087, -0.95774, 26.02033, 2.44552, 26.97807, 2.51297, 0.06745
323.15000, 1.01325, 0.41029, 5.50262, -0.11572, -0.01059, 0.00953, 0.10513, 0.06534, 0.05581
Breakdown of Heat Capacity Calculation at 323.15 K, 1atm:
Species MoleFrac Molal Cp0 partCp (partCp - Cp0)
H2O(L)0.8187 0.0000 0.0753 0.0696 -0.0057
Na+ 0.0906 6.1460 0.0284 0.1069 0.0785
Cl- 0.0906 6.1460 -0.0931 -0.0146 0.0785
NaCl(s)1.0000 0.0510 0.0510 0.0000
H2O(L) 0.81870 0.00000 0.07533 0.06959 -0.00574
Na+ 0.09065 6.14600 0.02842 0.10688 0.07846
Cl- 0.09065 6.14600 -0.09310 -0.01463 0.07846
NaCl(s) 1.00000 0.05104 0.05104 0.00000