Molecular thermodynamic modeling of aqueous Na + -K + -Mg 2+ -Ca 2+ -SO 4 2− quinary system

Sheik Tanveer, Chau Chyun Chen

Research output: Contribution to journalArticlepeer-review

10 Scopus citations


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 + -Mg 2+ -Ca 2+ -SO 4 2− 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 (Ca 2+ SO 4 2− ).

Original languageEnglish
Pages (from-to)77-87
Number of pages11
JournalFluid Phase Equilibria
StatePublished - Jul 1 2019


  • Aqueous electrolytes
  • Electrolyte NRTL model
  • High salinity brine solutions
  • Solubility
  • Thermodynamic properties


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