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lowering precision on test, to avoid false negatives

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This commit is contained in:
Nicholas Malaya 2012-07-16 19:52:15 +00:00
parent fbd6279a6b
commit 405c8bf8a9
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("%13g, %13g, %13g, %13g, %13g, %13g, "
"%13g, %13g, %13g, %13g\n",
printf("%4.4f, %4.4f, %4.4f, %4.4f, %4.4f, %4.4f, "
"%4.4f, %4.4f, %4.4f, %4.4f\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("%13g %13g %13g %13g %13g\n", Xmol[0], moll[0], Cp0_H2O , Cp_H2O, Cp_H2O-Cp0_H2O);
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(" Na+ ");
printf("%13g %13g %13g %13g %13g\n", Xmol[i1], moll[i1],
printf("%4.4f %4.4f %4.4f %4.4f %4.4f\n", Xmol[i1], moll[i1],
Cp0_Naplus , Cp_Naplus, Cp_Naplus -Cp0_Naplus);
printf(" Cl- ");
printf("%13g %13g %13g %13g %13g\n", Xmol[i2], moll[i2],
printf("%4.4f %4.4f %4.4f %4.4f %4.4f\n", Xmol[i2], moll[i2],
Cp0_Clminus , Cp_Clminus, Cp_Clminus - Cp0_Clminus);
printf(" NaCl(s)");
printf("%13g %13g %13g %13g\n", 1.0,
printf("%4.4f %4.4f %4.4f %4.4f\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
273.15, 1.01325, 0.376717, 4.08571, -0.158977, -0.0364738, 0.0111047, 0.122503, 0.0634481, 0.0523434
298.15, 1.01325, 0.391447, 4.61223, -0.130795, -0.019957, 0.0100473, 0.110838, 0.0644397, 0.0543924
323.15, 1.01325, 0.410293, 5.50261, -0.115719, -0.0105891, 0.00952985, 0.10513, 0.0653379, 0.0558081
348.15, 1.01325, 0.433273, 6.72551, -0.113771, -0.00869293, 0.0095252, 0.105079, 0.065728, 0.0562028
373.15, 1.01418, 0.460559, 8.3544, -0.124962, -0.013575, 0.010097, 0.111387, 0.0656562, 0.0555592
398.15, 2.32238, 0.492454, 10.5437, -0.14929, -0.0237592, 0.0113792, 0.125531, 0.0653077, 0.0539285
423.15, 4.76165, 0.529514, 13.5811, -0.186752, -0.0364898, 0.013621, 0.150262, 0.0649994, 0.0513783
448.15, 8.92602, 0.572549, 17.996, -0.237338, -0.0466964, 0.0172814, 0.190642, 0.0652691, 0.0479877
473.15, 15.5493, 0.622769, 24.8259, -0.301036, -0.0444456, 0.0232595, 0.256591, 0.0671304, 0.0438709
498.15, 25.4972, 0.682036, 36.2733, -0.377833, -0.0086642, 0.0334646, 0.369169, 0.0726785, 0.0392139
523.15, 39.7617, 0.753389, 57.5194, -0.467713, 0.110203, 0.0523872, 0.577916, 0.0867375, 0.0343503
548.15, 59.4639, 0.842213, 102.541, -0.570661, 0.445815, 0.0921419, 1.01648, 0.122088, 0.0299461
573.15, 85.879, 0.959258, 217.128, -0.68666, 1.43602, 0.192417, 2.12268, 0.219974, 0.0275567
598.15, 120.51, 1.13023, 604.228, -0.815692, 5.02135, 0.529119, 5.83704, 0.560936, 0.0318178
623.15, 165.294, 1.43872, 2813.62, -0.957741, 26.0203, 2.44552, 26.9781, 2.51297, 0.0674475
323.15, 1.01325, 0.410293, 5.50261, -0.115719, -0.0105891, 0.00952985, 0.10513, 0.0653379, 0.0558081
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
Breakdown of Heat Capacity Calculation at 323.15 K, 1atm:
Species MoleFrac Molal Cp0 partCp (partCp - Cp0)
H2O(L) 0.818703 0 0.075328 0.0695928 -0.00573521
Na+ 0.0906484 6.146 0.0284152 0.106879 0.0784641
Cl- 0.0906484 6.146 -0.0930958 -0.0146317 0.0784641
NaCl(s) 1 0.0510383 0.0510383 0
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
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
273.15, 1.01325, 0.376717, 4.08571, -0.158977, -0.0364738, 0.0111047, 0.122503, 0.0634481, 0.0523434
298.15, 1.01325, 0.391447, 4.61223, -0.130795, -0.019957, 0.0100473, 0.110838, 0.0644397, 0.0543924
323.15, 1.01325, 0.410293, 5.50261, -0.115719, -0.0105891, 0.00952985, 0.10513, 0.0653379, 0.0558081
348.15, 1.01325, 0.433273, 6.72551, -0.113771, -0.00869293, 0.0095252, 0.105079, 0.065728, 0.0562028
373.15, 1.01418, 0.460559, 8.3544, -0.124962, -0.013575, 0.010097, 0.111387, 0.0656562, 0.0555592
398.15, 2.32238, 0.492454, 10.5437, -0.14929, -0.0237592, 0.0113792, 0.125531, 0.0653077, 0.0539285
423.15, 4.76165, 0.529514, 13.5811, -0.186752, -0.0364898, 0.013621, 0.150262, 0.0649994, 0.0513783
448.15, 8.92602, 0.572549, 17.996, -0.237338, -0.0466964, 0.0172814, 0.190642, 0.0652691, 0.0479877
473.15, 15.5493, 0.622769, 24.8259, -0.301036, -0.0444456, 0.0232595, 0.256591, 0.0671304, 0.0438709
498.15, 25.4972, 0.682036, 36.2733, -0.377833, -0.0086642, 0.0334646, 0.369169, 0.0726785, 0.0392139
523.15, 39.7617, 0.753389, 57.5194, -0.467713, 0.110203, 0.0523872, 0.577916, 0.0867375, 0.0343503
548.15, 59.4639, 0.842213, 102.541, -0.570661, 0.445815, 0.0921419, 1.01648, 0.122088, 0.0299461
573.15, 85.879, 0.959258, 217.128, -0.68666, 1.43602, 0.192417, 2.12268, 0.219974, 0.0275567
598.15, 120.51, 1.13023, 604.228, -0.815692, 5.02135, 0.529119, 5.83704, 0.560936, 0.0318178
623.15, 165.294, 1.43872, 2813.62, -0.957741, 26.0203, 2.44552, 26.9781, 2.51297, 0.0674475
323.15, 1.01325, 0.410293, 5.50261, -0.115719, -0.0105891, 0.00952985, 0.10513, 0.0653379, 0.0558081
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
Breakdown of Heat Capacity Calculation at 323.15 K, 1atm:
Species MoleFrac Molal Cp0 partCp (partCp - Cp0)
H2O(L) 0.818703 0 0.075328 0.0695928 -0.00573521
Na+ 0.0906484 6.146 0.0284152 0.106879 0.0784641
Cl- 0.0906484 6.146 -0.0930958 -0.0146317 0.0784641
NaCl(s) 1 0.0510383 0.0510383 0
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