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Fluid Phase Equilibria, Vol.491, 77-87, 2019
Molecular thermodynamic modeling of aqueous Na+-K+-Mg2+-Ca2+-SO42- quinary system
As part of the effort to develop a comprehensive molecular thermodynamic model for high salinity produced water based on the electrolyte nonrandom two-liquid theory, this work presents the model results for the aqueous Na+-K+-Mg2+-Ca2+-SO42- quinary system. With the binary interaction parameters fully parameterized for the water-electrolyte pairs and the electrolyte-electrolyte pairs, the model satisfactorily describes the thermodynamic properties for the aqueous quinary system and its binary, ternary, and quaternary subsystems for the temperature range 273.15-473.15 K and the salt concentrations up to saturation. The model results are compared with the salt solubility and thermodynamic data available for the subsystems with special attention to systems involving (Ca2+ SO42-). (C) 2019 Elsevier B.V. All rights reserved.
Keywords:Aqueous electrolytes;High salinity brine solutions;Electrolyte NRTL model;Solubility;Thermodynamic properties