Inclusion of solvent polarizability in the modeling of ion-dipole mixtures within the mean spherical approximation (MSA)

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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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.