open access publication

Article, 2024

Theoretical considerations on single and mixed solvent electrolyte solutions

FLUID PHASE EQUILIBRIA, ISSN 0378-3812, 0378-3812, Volume 576, 10.1016/j.fluid.2023.113924

Contributors

Novak, Nefeli 0000-0002-9378-2640 (Corresponding author) [1] [2] Kontogeorgis, Georgios M. [1] Castier, Marcelo [3] [4] Economou, Ioannis G. [2] [3] [4]

Affiliations

  1. [1] Tech Univ Denmark, Ctr Energy Resources Engn, Dept Chem & Biochem Engn, DK-2800 Lyngby, Denmark
  2. [NORA names: DTU Technical University of Denmark; University; Denmark; Europe, EU; Nordic; OECD];
  3. [2] Inst Nanosci & Nanotechnol, Natl Ctr Sci Res Demokritos, Mol Thermodynam & Modelling Mat Lab, GR-15310 Aghia Paraskevi, Greece
  4. [NORA names: Greece; Europe, EU; OECD];
  5. [3] Texas A&M Univ Qatar, Chem Engn Program, Education City, POB 23874, Doha, Qatar
  6. [NORA names: Qatar; Asia, Middle East];
  7. [4] Texas A&M Univ Qatar, Chem Engn Program, Education City, POB 23874, Doha, Qatar
  8. [NORA names: Qatar; Asia, Middle East]

Abstract

Electrolyte terms are considered to belong to a different framework (McMillan-Mayer) than the physical terms of the thermodynamic models (Lewis-Randall). The electrolyte terms should be converted to the framework of the physical model, prior to the combination of the physical and electrolyte terms. If the relative static permiitivity (RSP) of the solution (mixed or single) does not depend on the ionic concentration, then the two frameworks are equivalent for equations of state (EoS). For activity coefficient models (GE models), a pressure correction term is needed to consistently combine the electrolyte and the physical model. These corrections are more important for higher concentrations.

Keywords

Born term in LLE, Electrolytes, Lewis-Randall vs McMillan-Mayer framework

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