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

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Date
2024-01-16
Authors
Xiao, Tiejun
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American Institute of Physics
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ChemistryAmes National Laboratory
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.
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This is an accepted manuscript of the article Published as Xiao, Tiejun, and Xueyu Song. "A Gaussian field approach to the solvation of spherical ions in electrolyte solutions." The Journal of Chemical Physics 160, no. 3 (2024). doi: https://doi.org/10.1063/5.0187141. Posted with Permission. Copyright 2024 The Authors.
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