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

被引:2
作者
Xiao, Tiejun [1 ]
Song, Xueyu [2 ,3 ]
机构
[1] Guizhou Educ Univ, Guizhou Synerget Innovat Ctr Sci Big Data Adv Mfg, Guizhou Prov Key Lab Computat Nanomat Sci, Guiyang 550018, Peoples R China
[2] Iowa State Univ, Ames Lab, Ames, IA 50011 USA
[3] Iowa State Univ, Dept Chem, Ames, IA 50011 USA
基金
中国国家自然科学基金;
关键词
CHARGED HARD-SPHERES; MEAN SPHERICAL APPROXIMATION; DEBYE-HUCKEL THEORY; IONIC LIQUIDS; FREE-ENERGY; CAPACITANCE; MODEL; POLAR; BEHAVIOR;
D O I
10.1063/5.0138568
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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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页数:12
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