Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 359, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molliq.2022.119224
Keywords
Electrolytes; Polarizability; Non-primitive; Ion-dipole; Mean-spherical approximation (MSA)
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This paper introduces the fluctuating polarization model of Hoye and Stell in the non-primitive mean spherical approximation (MSA) framework, which is used to describe an arbitrary mixture of hard spherical ions and polar polarizable solvent molecules. The thermodynamic properties are derived for this more realistic representation of an aqueous electrolyte, and the obtained explicit formulas constitute a thermodynamically consistent set.
The fluctuating polarization model of Hoye and Stell [J. Chem. Phys. 72, 1597 (1980); J. Chem. Phys. 73, 461 (1980)] is introduced in the non-primitive mean spherical approximation (MSA) framework for an arbitrary mixture of hard spherical ions and polar polarizable solvent molecules. The thermodynamic properties are derived for this more realistic representation of an aqueous electrolyte. The obtained explicit formulas constitute a thermodynamically consistent set. (c) 2022 Elsevier B.V.
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