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A Gaussian field approach to the planar electric double layer structures in electrolyte solutions.

Authors :
Xiao, Tiejun
Song, Xueyu
Source :
Journal of Chemical Physics. May2023, Vol. 158 Issue 17, p1-12. 12p.
Publication Year :
2023

Abstract

In this work, the planar, electric, double-layer structures of non-polarizable electrodes in electrolyte solutions are studied with Gaussian field theory. A response function with two Yukawa functions is used to capture the electrostatic response of the electrolyte solution, from which the modified response function in the planar symmetry is derived analytically. The modified response function is further used to evaluate the induced charge density and the electrostatic potential near an electrode. The Gaussian field theory, combined with a two-Yukawa response function, can reproduce the oscillatory decay behavior of the electric potentials in concentrated electrolyte solutions. When the exact sum rules for the bulk electrolyte solutions and the electric double layers are used as constraints to determine the parameters of the response function, the Gaussian field theory could at least partly capture the nonlinear response effect of the surface charge density. Comparison with results for a planar electrode with fixed surface charge densities from molecular simulations demonstrates the validity of Gaussian field theory. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
158
Issue :
17
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
163561780
Full Text :
https://doi.org/10.1063/5.0138568