Article Dans Une Revue Journal of Molecular Liquids Année : 2022

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

Résumé

The fluctuating polarization model of Høye 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.
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Dates et versions

hal-03704154 , version 1 (24-06-2022)

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Jean-Pierre Simonin, Johan S Høye. Inclusion of solvent polarizability in the modeling of ion-dipole mixtures within the mean spherical approximation (MSA). Journal of Molecular Liquids, 2022, 359, pp.119224. ⟨10.1016/j.molliq.2022.119224⟩. ⟨hal-03704154⟩
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