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

Xiao, Tiejun; Song, Xueyu

doi:10.1063/5.0138568

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

Journal Article · 01 May 2023 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/5.0138568 · OSTI ID:1986180

^[1];

^[2]

Guizhou Education University (China)
Ames Lab., and Iowa State Univ., Ames, IA (United States)

Here, 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.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC)

Grant/Contract Number:: AC02-07CH11358; 21863001

OSTI ID:: 1986180

Report Number(s):: IS-J-11,054; TRN: US2402981

Journal Information:: Journal of Chemical Physics, Vol. 158, Issue 17; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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