Application of the modified BET model to concentrated salt solutions with relatively high water activities: Predicting solubility phase diagrams of NaCl + H2O, NaCl + LiCl + H2O, and NaCl + CaCl2 + H2O
被引:10
作者:
Rathgeber, Christoph
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机构:
Bavarian Ctr Appl Energy Res ZAE Bayern, Walther Meissner Str 6, D-85748 Garching, GermanyBavarian Ctr Appl Energy Res ZAE Bayern, Walther Meissner Str 6, D-85748 Garching, Germany
Rathgeber, Christoph
[1
]
Schmit, Henri
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机构:
Bavarian Ctr Appl Energy Res ZAE Bayern, Walther Meissner Str 6, D-85748 Garching, GermanyBavarian Ctr Appl Energy Res ZAE Bayern, Walther Meissner Str 6, D-85748 Garching, Germany
Schmit, Henri
[1
]
Hiebler, Stefan
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机构:
Bavarian Ctr Appl Energy Res ZAE Bayern, Walther Meissner Str 6, D-85748 Garching, GermanyBavarian Ctr Appl Energy Res ZAE Bayern, Walther Meissner Str 6, D-85748 Garching, Germany
Hiebler, Stefan
[1
]
Voigt, Wolfgang
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机构:
TU Bergakad Freiberg, Inst Inorgan Chem, Leipziger Str 29, D-09596 Freiberg, GermanyBavarian Ctr Appl Energy Res ZAE Bayern, Walther Meissner Str 6, D-85748 Garching, Germany
Voigt, Wolfgang
[2
]
机构:
[1] Bavarian Ctr Appl Energy Res ZAE Bayern, Walther Meissner Str 6, D-85748 Garching, Germany
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
|
2019年
/
66卷
关键词:
Modified BET model;
Chloride salts;
Salt hydrates;
Solubility phase diagram;
Regular solution parameter;
TERNARY-SYSTEMS;
ELECTROLYTE;
EQUILIBRIA;
ADSORPTION;
MIXTURES;
CHLORIDE;
D O I:
10.1016/j.calphad.2019.101633
中图分类号:
O414.1 [热力学];
学科分类号:
摘要:
Solubility phase diagrams of mixtures of salts and water are of interest in various application fields and can be calculated using the modified BET model. In comparison with other thermodynamic models, the modified BET model requires only two salt-specific model parameters and has shown to possess a predictive capability. In this work, the modified BET equations are extended in order to calculate solubility phase diagrams of concentrated salt solutions with relatively high water activities within the range of undersaturation. As an example, BET parameters of NaCl are determined and applied to calculate solubility phase diagrams of NaCl + H2O, NaCl + LiCl + H2O, and NaCl + CaCl2 + H2O within the temperature range of around 250-500 K. In the ternary systems, the best agreement with solubility data from literature is obtained using constant BET parameters of NaCl and an additional temperature-dependent regular solution parameter to account for salt-salt interaction.