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

Author:

Xiao Tiejun1ORCID,Song Xueyu2ORCID

Affiliation:

1. Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Guizhou Synergetic Innovation Center of Scientific Big Data for Advanced Manufacturing Technology, Guizhou Education University 1 , Guiyang People’s Republic of China

2. Department of Chemistry and Ames Laboratory, Iowa State University 2 , Ames, Iowa 50011, USA

Abstract

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.

Funder

U.S. Department of Energy

National Natural Science Foundation of China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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