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A Gaussian field approach to the solvation of spherical ions in electrolyte solutions. | LitMetric

A Gaussian field approach to the solvation of spherical ions in electrolyte solutions.

J Chem Phys

Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, USA.

Published: January 2024

In this work, the electrostatic response of an electrolyte solution to a spherical ion is studied with a Gaussian field theory. In order to capture the ionic correlation effect in concentrated solutions, the bulk dielectric response function is described by a two-Yukawa response function. The modified response function of the solution is solved analytically in the spherical geometry, from which the induced charge density and the electrostatic energy are also derived analytically. Comparisons with results for small ions in electrolyte solutions from the hyper-netted chain theory demonstrate the validity of the Gaussian field theory.

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Source
http://dx.doi.org/10.1063/5.0187141DOI Listing

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