78 lines
7.4 KiB
Text
78 lines
7.4 KiB
Text
A_J/R: Comparison to Pitzer's book, p. 99, can be made.
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Agreement is within 12 pc
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Delta_Cp0: Heat Capacity of Solution per mole of salt (standard states)
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rxn for the ss heat of soln: NaCl(s) -> Na+(aq) + Cl-(aq)
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Delta_Cps: Delta heat Capacity of Solution per mole of salt
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rxn for heat of soln: n1 H2O(l,pure) + n2 NaCl(s) -> n2 MX(aq) + n1 H2O(l)
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Delta_Hs = (n1 h_H2O_bar + n2 h_MX_bar - n1 h_H2O_0 - n2 h_MX_0)/n2
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phiJ: phiJ, calculated from the program, is checked
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against analytical formula in J_standalone program.
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(comparison against Eq. 12, Silvester and Pitzer)
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T, Pres, Aphi, A_J/R, Delta_Cp0, Delta_Cps, J, phiJ, MolarCp, MolarCp0
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Kelvin, bar, sqrt(kg/gmol), sqrt(kg/gmol), kJ/gmolSalt, kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt, kJ/gmol, kJ/gmol
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273.15000, 1.01325, 0.37672, 4.08572, -0.15898, -0.03647, 0.01110, 0.12250, 0.06345, 0.05234
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298.15000, 1.01325, 0.39145, 4.61223, -0.13080, -0.01996, 0.01005, 0.11084, 0.06444, 0.05439
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323.15000, 1.01325, 0.41029, 5.50262, -0.11572, -0.01059, 0.00953, 0.10513, 0.06534, 0.05581
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348.15000, 1.01325, 0.43327, 6.72552, -0.11377, -0.00869, 0.00953, 0.10508, 0.06573, 0.05620
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373.15000, 1.01418, 0.46056, 8.35441, -0.12496, -0.01358, 0.01010, 0.11139, 0.06566, 0.05556
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398.15000, 2.32238, 0.49245, 10.54375, -0.14929, -0.02376, 0.01138, 0.12553, 0.06531, 0.05393
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423.15000, 4.76165, 0.52952, 13.58116, -0.18675, -0.03649, 0.01362, 0.15026, 0.06500, 0.05138
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448.15000, 8.92602, 0.57255, 17.99600, -0.23734, -0.04670, 0.01728, 0.19064, 0.06527, 0.04799
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473.15000, 15.54928, 0.62277, 24.82590, -0.30104, -0.04445, 0.02326, 0.25659, 0.06713, 0.04387
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498.15000, 25.49724, 0.68204, 36.27336, -0.37783, -0.00866, 0.03346, 0.36917, 0.07268, 0.03921
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523.15000, 39.76175, 0.75339, 57.51946, -0.46771, 0.11020, 0.05239, 0.57792, 0.08674, 0.03435
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548.15000, 59.46393, 0.84221, 102.54121, -0.57066, 0.44582, 0.09214, 1.01648, 0.12209, 0.02995
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573.15000, 85.87905, 0.95926, 217.12828, -0.68666, 1.43602, 0.19242, 2.12268, 0.21997, 0.02756
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598.15000, 120.51014, 1.13024, 604.22923, -0.81569, 5.02135, 0.52912, 5.83705, 0.56094, 0.03182
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623.15000, 165.29415, 1.43872, 2813.62087, -0.95774, 26.02033, 2.44552, 26.97807, 2.51297, 0.06745
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323.15000, 1.01325, 0.41029, 5.50262, -0.11572, -0.01059, 0.00953, 0.10513, 0.06534, 0.05581
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Breakdown of Heat Capacity Calculation at 323.15 K, 1atm:
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Species MoleFrac Molal Cp0 partCp (partCp - Cp0)
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H2O(L) 0.81870 0.00000 0.07533 0.06959 -0.00574
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Na+ 0.09065 6.14600 0.02842 0.10688 0.07846
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Cl- 0.09065 6.14600 -0.09310 -0.01463 0.07846
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NaCl(s) 1.00000 0.05104 0.05104 0.00000
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A_J/R: Comparison to Pitzer's book, p. 99, can be made.
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Agreement is within 12 pc
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Delta_Cp0: Heat Capacity of Solution per mole of salt (standard states)
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rxn for the ss heat of soln: NaCl(s) -> Na+(aq) + Cl-(aq)
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Delta_Cps: Delta heat Capacity of Solution per mole of salt
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rxn for heat of soln: n1 H2O(l,pure) + n2 NaCl(s) -> n2 MX(aq) + n1 H2O(l)
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Delta_Hs = (n1 h_H2O_bar + n2 h_MX_bar - n1 h_H2O_0 - n2 h_MX_0)/n2
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phiJ: phiJ, calculated from the program, is checked
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against analytical formula in J_standalone program.
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(comparison against Eq. 12, Silvester and Pitzer)
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T, Pres, Aphi, A_J/R, Delta_Cp0, Delta_Cps, J, phiJ, MolarCp, MolarCp0
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Kelvin, bar, sqrt(kg/gmol), sqrt(kg/gmol), kJ/gmolSalt, kJ/gmolSalt, kJ/gmolSoln, kJ/gmolSalt, kJ/gmol, kJ/gmol
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273.15000, 1.01325, 0.37672, 4.08572, -0.15898, -0.03647, 0.01110, 0.12250, 0.06345, 0.05234
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298.15000, 1.01325, 0.39145, 4.61223, -0.13080, -0.01996, 0.01005, 0.11084, 0.06444, 0.05439
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323.15000, 1.01325, 0.41029, 5.50262, -0.11572, -0.01059, 0.00953, 0.10513, 0.06534, 0.05581
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348.15000, 1.01325, 0.43327, 6.72552, -0.11377, -0.00869, 0.00953, 0.10508, 0.06573, 0.05620
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373.15000, 1.01418, 0.46056, 8.35441, -0.12496, -0.01358, 0.01010, 0.11139, 0.06566, 0.05556
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398.15000, 2.32238, 0.49245, 10.54375, -0.14929, -0.02376, 0.01138, 0.12553, 0.06531, 0.05393
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423.15000, 4.76165, 0.52952, 13.58116, -0.18675, -0.03649, 0.01362, 0.15026, 0.06500, 0.05138
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448.15000, 8.92602, 0.57255, 17.99600, -0.23734, -0.04670, 0.01728, 0.19064, 0.06527, 0.04799
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473.15000, 15.54928, 0.62277, 24.82590, -0.30104, -0.04445, 0.02326, 0.25659, 0.06713, 0.04387
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498.15000, 25.49724, 0.68204, 36.27336, -0.37783, -0.00866, 0.03346, 0.36917, 0.07268, 0.03921
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523.15000, 39.76175, 0.75339, 57.51946, -0.46771, 0.11020, 0.05239, 0.57792, 0.08674, 0.03435
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548.15000, 59.46393, 0.84221, 102.54121, -0.57066, 0.44582, 0.09214, 1.01648, 0.12209, 0.02995
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573.15000, 85.87905, 0.95926, 217.12828, -0.68666, 1.43602, 0.19242, 2.12268, 0.21997, 0.02756
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598.15000, 120.51014, 1.13024, 604.22923, -0.81569, 5.02135, 0.52912, 5.83705, 0.56094, 0.03182
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623.15000, 165.29415, 1.43872, 2813.62087, -0.95774, 26.02033, 2.44552, 26.97807, 2.51297, 0.06745
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323.15000, 1.01325, 0.41029, 5.50262, -0.11572, -0.01059, 0.00953, 0.10513, 0.06534, 0.05581
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Breakdown of Heat Capacity Calculation at 323.15 K, 1atm:
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Species MoleFrac Molal Cp0 partCp (partCp - Cp0)
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H2O(L) 0.81870 0.00000 0.07533 0.06959 -0.00574
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Na+ 0.09065 6.14600 0.02842 0.10688 0.07846
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Cl- 0.09065 6.14600 -0.09310 -0.01463 0.07846
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NaCl(s) 1.00000 0.05104 0.05104 0.00000
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