diff --git a/test_problems/cathermo/HMW_dupl_test/output_blessed.txt b/test_problems/cathermo/HMW_dupl_test/output_blessed.txt index e871a8cde..e678dedc2 100644 --- a/test_problems/cathermo/HMW_dupl_test/output_blessed.txt +++ b/test_problems/cathermo/HMW_dupl_test/output_blessed.txt @@ -15,27 +15,27 @@ 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, 4.08576, -0.158977, -0.0364733, 0.0111048, 0.122504, 0.0634482, 0.0523434 - 298.15, 1.01325, 0.391447, 4.61226, -0.130795, -0.0199566, 0.0100473, 0.110838, 0.0644397, 0.0543924 - 323.15, 1.01325, 0.410293, 5.50264, -0.115719, -0.0105888, 0.00952988, 0.10513, 0.065338, 0.0558081 - 348.15, 1.01325, 0.433273, 6.72554, -0.113771, -0.00869263, 0.00952522, 0.105079, 0.065728, 0.0562028 - 373.15, 1.01418, 0.460559, 8.35444, -0.124962, -0.0135747, 0.0100971, 0.111387, 0.0656563, 0.0555592 - 398.15, 2.32238, 0.492454, 10.5438, -0.14929, -0.0237587, 0.0113792, 0.125532, 0.0653078, 0.0539285 - 423.15, 4.76165, 0.529514, 13.5812, -0.186752, -0.0364892, 0.0136211, 0.150263, 0.0649994, 0.0513783 - 448.15, 8.92602, 0.572549, 17.9961, -0.237338, -0.0466955, 0.0172814, 0.190643, 0.0652692, 0.0479877 - 473.15, 15.5493, 0.622769, 24.826, -0.301036, -0.0444443, 0.0232596, 0.256592, 0.0671305, 0.0438709 - 498.15, 25.4972, 0.682036, 36.2735, -0.377833, -0.00866191, 0.0334648, 0.369171, 0.0726787, 0.0392139 - 523.15, 39.7617, 0.753389, 57.5198, -0.467713, 0.110207, 0.0523875, 0.57792, 0.0867379, 0.0343503 - 548.15, 59.4639, 0.842213, 102.542, -0.570661, 0.445824, 0.0921428, 1.01649, 0.122089, 0.0299461 - 573.15, 85.879, 0.959258, 217.131, -0.68666, 1.43604, 0.19242, 2.1227, 0.219976, 0.0275567 - 598.15, 120.51, 1.13023, 604.241, -0.815692, 5.02147, 0.52913, 5.83716, 0.560947, 0.0318178 - 623.15, 165.294, 1.43872, 2813.78, -0.957741, 26.0219, 2.44566, 26.9797, 2.51311, 0.0674475 - 323.15, 1.01325, 0.410293, 5.50264, -0.115719, -0.0105888, 0.00952988, 0.10513, 0.065338, 0.0558081 + 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 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 -0.00573522 - Na+ 0.0906484 6.146 0.0284152 0.106879 0.0784643 - Cl- 0.0906484 6.146 -0.0930958 -0.0146316 0.0784643 + 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 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, 4.08576, -0.158977, -0.0364733, 0.0111048, 0.122504, 0.0634482, 0.0523434 - 298.15, 1.01325, 0.391447, 4.61226, -0.130795, -0.0199566, 0.0100473, 0.110838, 0.0644397, 0.0543924 - 323.15, 1.01325, 0.410293, 5.50264, -0.115719, -0.0105888, 0.00952988, 0.10513, 0.065338, 0.0558081 - 348.15, 1.01325, 0.433273, 6.72554, -0.113771, -0.00869263, 0.00952522, 0.105079, 0.065728, 0.0562028 - 373.15, 1.01418, 0.460559, 8.35444, -0.124962, -0.0135747, 0.0100971, 0.111387, 0.0656563, 0.0555592 - 398.15, 2.32238, 0.492454, 10.5438, -0.14929, -0.0237587, 0.0113792, 0.125532, 0.0653078, 0.0539285 - 423.15, 4.76165, 0.529514, 13.5812, -0.186752, -0.0364892, 0.0136211, 0.150263, 0.0649994, 0.0513783 - 448.15, 8.92602, 0.572549, 17.9961, -0.237338, -0.0466955, 0.0172814, 0.190643, 0.0652692, 0.0479877 - 473.15, 15.5493, 0.622769, 24.826, -0.301036, -0.0444443, 0.0232596, 0.256592, 0.0671305, 0.0438709 - 498.15, 25.4972, 0.682036, 36.2735, -0.377833, -0.00866191, 0.0334648, 0.369171, 0.0726787, 0.0392139 - 523.15, 39.7617, 0.753389, 57.5198, -0.467713, 0.110207, 0.0523875, 0.57792, 0.0867379, 0.0343503 - 548.15, 59.4639, 0.842213, 102.542, -0.570661, 0.445824, 0.0921428, 1.01649, 0.122089, 0.0299461 - 573.15, 85.879, 0.959258, 217.131, -0.68666, 1.43604, 0.19242, 2.1227, 0.219976, 0.0275567 - 598.15, 120.51, 1.13023, 604.241, -0.815692, 5.02147, 0.52913, 5.83716, 0.560947, 0.0318178 - 623.15, 165.294, 1.43872, 2813.78, -0.957741, 26.0219, 2.44566, 26.9797, 2.51311, 0.0674475 - 323.15, 1.01325, 0.410293, 5.50264, -0.115719, -0.0105888, 0.00952988, 0.10513, 0.065338, 0.0558081 + 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 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 -0.00573522 - Na+ 0.0906484 6.146 0.0284152 0.106879 0.0784643 - Cl- 0.0906484 6.146 -0.0930958 -0.0146316 0.0784643 + 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 diff --git a/test_problems/cathermo/HMW_graph_CpvT/output_blessed.txt b/test_problems/cathermo/HMW_graph_CpvT/output_blessed.txt index 29401e696..776c0176c 100644 --- a/test_problems/cathermo/HMW_graph_CpvT/output_blessed.txt +++ b/test_problems/cathermo/HMW_graph_CpvT/output_blessed.txt @@ -15,25 +15,25 @@ 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, 4.08576, -0.158977, -0.0364733, 0.0111048, 0.122504, 0.0634482, 0.0523434 - 298.15, 1.01325, 0.391447, 4.61226, -0.130795, -0.0199566, 0.0100473, 0.110838, 0.0644397, 0.0543924 - 323.15, 1.01325, 0.410293, 5.50264, -0.115719, -0.0105888, 0.00952988, 0.10513, 0.065338, 0.0558081 - 348.15, 1.01325, 0.433273, 6.72554, -0.113771, -0.00869263, 0.00952522, 0.105079, 0.065728, 0.0562028 - 373.15, 1.01418, 0.460559, 8.35444, -0.124962, -0.0135747, 0.0100971, 0.111387, 0.0656563, 0.0555592 - 398.15, 2.32238, 0.492454, 10.5438, -0.14929, -0.0237587, 0.0113792, 0.125532, 0.0653078, 0.0539285 - 423.15, 4.76165, 0.529514, 13.5812, -0.186752, -0.0364892, 0.0136211, 0.150263, 0.0649994, 0.0513783 - 448.15, 8.92602, 0.572549, 17.9961, -0.237338, -0.0466955, 0.0172814, 0.190643, 0.0652692, 0.0479877 - 473.15, 15.5493, 0.622769, 24.826, -0.301036, -0.0444443, 0.0232596, 0.256592, 0.0671305, 0.0438709 - 498.15, 25.4972, 0.682036, 36.2735, -0.377833, -0.00866191, 0.0334648, 0.369171, 0.0726787, 0.0392139 - 523.15, 39.7617, 0.753389, 57.5198, -0.467713, 0.110207, 0.0523875, 0.57792, 0.0867379, 0.0343503 - 548.15, 59.4639, 0.842213, 102.542, -0.570661, 0.445824, 0.0921428, 1.01649, 0.122089, 0.0299461 - 573.15, 85.879, 0.959258, 217.131, -0.68666, 1.43604, 0.19242, 2.1227, 0.219976, 0.0275567 - 598.15, 120.51, 1.13023, 604.241, -0.815692, 5.02147, 0.52913, 5.83716, 0.560947, 0.0318178 - 623.15, 165.294, 1.43872, 2813.78, -0.957741, 26.0219, 2.44566, 26.9797, 2.51311, 0.0674475 - 323.15, 1.01325, 0.410293, 5.50264, -0.115719, -0.0105888, 0.00952988, 0.10513, 0.065338, 0.0558081 + 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 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 -0.00573522 - Na+ 0.0906484 6.146 0.0284152 0.106879 0.0784643 - Cl- 0.0906484 6.146 -0.0930958 -0.0146316 0.0784643 + 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 diff --git a/test_problems/cathermo/HMW_graph_HvT/output_blessed.txt b/test_problems/cathermo/HMW_graph_HvT/output_blessed.txt index 3f980dc4d..71f35b562 100644 --- a/test_problems/cathermo/HMW_graph_HvT/output_blessed.txt +++ b/test_problems/cathermo/HMW_graph_HvT/output_blessed.txt @@ -15,24 +15,24 @@ phiL: phiL, calculated from the program, is checked T, Pres, Aphi, A_L/RT, Delta_H0, Delta_Hs, L, phiL, L_rel_molal, MolarEnth, MolarEnth0 Kelvin, bar, sqrt(kg/gmol), sqrt(kg/gmol), kJ/gmolSalt, kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt, kJ/gmolSalt, kJ/gmol, kJ/gmol - 273.15, 1.01325, 0.376717, 0.553555, 7.43878, 2.95802, -0.406173, -4.48075, -4.48075, -272.676, -272.27 - 298.15, 1.01325, 0.391447, 0.801126, 3.84389, 2.07326, -0.160505, -1.77063, -1.77063, -271.096, -270.936 - 323.15, 1.01325, 0.410293, 1.08058, 0.789801, 1.55964, 0.0697849, 0.769841, 0.769841, -269.487, -269.556 - 348.15, 1.01325, 0.433273, 1.39763, -2.05146, 1.19304, 0.294109, 3.24451, 3.24451, -267.86, -268.154 - 373.15, 1.01418, 0.460559, 1.76368, -5.00826, 0.774675, 0.524213, 5.78293, 5.78293, -266.231, -266.755 - 398.15, 2.32238, 0.492454, 2.1941, -8.41039, 0.130309, 0.774201, 8.5407, 8.5407, -264.608, -265.383 - 423.15, 4.76165, 0.529514, 2.71189, -12.5861, -0.867087, 1.06231, 11.719, 11.719, -262.999, -264.062 - 448.15, 8.92602, 0.572549, 3.35237, -17.8642, -2.27038, 1.41355, 15.5938, 15.5938, -261.4, -262.814 - 473.15, 15.5493, 0.622769, 4.17418, -24.5734, -3.99315, 1.86557, 20.5802, 20.5802, -259.793, -261.659 - 498.15, 25.4972, 0.682036, 5.28228, -33.0422, -5.67195, 2.48107, 27.3703, 27.3703, -258.132, -260.613 - 523.15, 39.7617, 0.753389, 6.88208, -43.599, -6.34036, 3.37744, 37.2587, 37.2587, -256.312, -259.69 - 548.15, 59.4639, 0.842213, 9.42265, -56.5718, -3.55817, 4.8056, 53.0137, 53.0137, -254.086, -258.892 - 573.15, 85.879, 0.959258, 14.046, -72.2884, 9.3421, 7.39968, 81.6305, 81.6305, -250.808, -258.208 - 598.15, 120.51, 1.13023, 24.3993, -91.0764, 54.4473, 13.1915, 145.524, 145.524, -244.395, -257.587 - 623.15, 165.294, 1.43872, 57.186, -113.263, 235.127, 31.581, 348.39, 348.39, -225.264, -256.845 - 323.15, 1.01325, 0.410293, 1.08058, 0.789801, 1.55964, 0.0697849, 0.769841, 0.769841, -269.487, -269.556 + 273.15, 1.01325, 0.376717, 0.553536, 7.43878, 2.95798, -0.406178, -4.4808, -4.4808, -272.676, -272.27 + 298.15, 1.01325, 0.391447, 0.801114, 3.84389, 2.07323, -0.160508, -1.77067, -1.77067, -271.096, -270.936 + 323.15, 1.01325, 0.410293, 1.08057, 0.789801, 1.55961, 0.0697823, 0.769813, 0.769813, -269.487, -269.556 + 348.15, 1.01325, 0.433273, 1.39762, -2.05146, 1.19301, 0.294107, 3.24448, 3.24448, -267.86, -268.154 + 373.15, 1.01418, 0.460559, 1.76367, -5.00826, 0.774642, 0.52421, 5.7829, 5.7829, -266.231, -266.755 + 398.15, 2.32238, 0.492454, 2.19409, -8.41039, 0.130268, 0.774197, 8.54066, 8.54066, -264.608, -265.383 + 423.15, 4.76165, 0.529514, 2.71187, -12.5861, -0.867141, 1.0623, 11.7189, 11.7189, -262.999, -264.062 + 448.15, 8.92602, 0.572549, 3.35236, -17.8642, -2.27046, 1.41355, 15.5937, 15.5937, -261.4, -262.814 + 473.15, 15.5493, 0.622769, 4.17415, -24.5734, -3.99327, 1.86555, 20.5801, 20.5801, -259.793, -261.659 + 498.15, 25.4972, 0.682036, 5.28224, -33.0422, -5.67215, 2.48105, 27.3701, 27.3701, -258.132, -260.613 + 523.15, 39.7617, 0.753389, 6.88201, -43.599, -6.3407, 3.37741, 37.2583, 37.2583, -256.312, -259.69 + 548.15, 59.4639, 0.842213, 9.42252, -56.5718, -3.55885, 4.80554, 53.013, 53.013, -254.086, -258.892 + 573.15, 85.879, 0.959258, 14.0457, -72.2884, 9.34037, 7.39952, 81.6288, 81.6288, -250.808, -258.208 + 598.15, 120.51, 1.13023, 24.3983, -91.0764, 54.4417, 13.191, 145.518, 145.518, -244.396, -257.587 + 623.15, 165.294, 1.43872, 57.1784, -113.263, 235.081, 31.5769, 348.345, 348.345, -225.268, -256.845 + 323.15, 1.01325, 0.410293, 1.08057, 0.789801, 1.55961, 0.0697823, 0.769813, 0.769813, -269.487, -269.556 Breakdown of Enthalpy Calculation at 323.15 K, 1atm: Species MoleFrac Molal H0 partH (partH - H0) - H2O(L) 0.818703 0 -283.956 -284.104 -0.147946 - Na+ 0.0906484 6.146 -239.506 -238.453 1.05302 - Cl- 0.0906484 6.146 -169.555 -168.502 1.05302 + H2O(L) 0.818703 0 -283.956 -284.104 -0.147945 + Na+ 0.0906484 6.146 -239.506 -238.453 1.053 + Cl- 0.0906484 6.146 -169.555 -168.502 1.053 diff --git a/test_problems/cathermo/testIAPWSPres/output_blessed.txt b/test_problems/cathermo/testIAPWSPres/output_blessed.txt index f8c128f3f..169624bbb 100644 --- a/test_problems/cathermo/testIAPWSPres/output_blessed.txt +++ b/test_problems/cathermo/testIAPWSPres/output_blessed.txt @@ -19,3 +19,12 @@ psat_est(314) = 7722.3 psat_est(314) = 7675.46 psat_est(373.15) = 101007 psat_est(647.25) = 2.2093e+07 +beta = 1.000020308917 +betaNum = 1.000020308681 +alpha = 0.003333433139236 +beta = 1265.572840683 +betaNum = 1265.466513111 +alpha = -0.02354957776458 +beta = 1.240519813089 +betaNum = 1.240519293923 +alpha = 0.002346416555069 diff --git a/test_problems/cathermo/testIAPWSPres/testPress.cpp b/test_problems/cathermo/testIAPWSPres/testPress.cpp index 29d6a9fcf..92ff06419 100644 --- a/test_problems/cathermo/testIAPWSPres/testPress.cpp +++ b/test_problems/cathermo/testIAPWSPres/testPress.cpp @@ -5,6 +5,18 @@ #include using namespace std; + +double numdpdt(WaterPropsIAPWS *water, double T, double pres) { + double rho = water->density(T, pres); + water->setState_TR(T, rho); + double presB = water->pressure(); + double Td = T + 0.001; + water->setState_TR(Td, rho); + double presd = water->pressure(); + double dpdt = (presd - presB) / 0.001; + return dpdt; +} + int main () { double dens, u, s, h; @@ -106,10 +118,62 @@ int main () { printf("psat_est(%g) = %g\n", T, pres); + T = 300; + pres = 10.; + rho = water->density(T, pres, WATER_GAS); + water->setState_TR(T, rho); + double beta = water->coeffPresExp(); + + printf("beta = %20.13g\n", beta); + double dpdt = numdpdt(water, T, pres); + + rho = water->density(T,pres); + double betaNum = dpdt * 18.015268 /( 8.314371E3 * rho); + printf("betaNum = %20.13g\n", betaNum); + + double alpha = water->coeffThermExp(); + printf("alpha = %20.13g\n", alpha); + T = 300; + pres = 10.E6; + rho = water->density(T, pres, WATER_GAS); + water->setState_TR(T, rho); + beta = water->coeffPresExp(); + + printf("beta = %20.13g\n", beta); + + + dpdt = numdpdt(water, T, pres); + + rho = water->density(T,pres); + betaNum = dpdt * 18.015268 /( 8.314371E3 * rho); + + printf("betaNum = %20.13g\n", betaNum); + + alpha = water->coeffThermExp(); + printf("alpha = %20.13g\n", alpha); + + T = 700; + pres = 10.E6; + rho = water->density(T, pres, WATER_GAS); + water->setState_TR(T, rho); + beta = water->coeffPresExp(); + + printf("beta = %20.13g\n", beta); + + + dpdt = numdpdt(water, T, pres); + + rho = water->density(T,pres); + betaNum = dpdt * 18.015268 /( 8.314371E3 * rho); + + printf("betaNum = %20.13g\n", betaNum); + + alpha = water->coeffThermExp(); + printf("alpha = %20.13g\n", alpha); delete water; return 0;