Monte Carlo studies of ion size effects in the diffuse double layer

被引：13
作者：
Fawcett, W. Ronald [1 ]
机构：
[1] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA
来源：
ELECTROCHIMICA ACTA | 2009年 / 54卷 / 22期
基金：
美国国家科学基金会;
关键词：
Ion size effects; Theory of diffuse layer; Monte Carlo simulations; Linearized modified Gouy-Chapman theory; Double layer theory; ELECTRICAL DOUBLE-LAYER; HYPERNETTED-CHAIN APPROXIMATION; MEAN SPHERICAL APPROXIMATION; DENSITY-FUNCTIONAL THEORY; GOUY-CHAPMAN THEORY; CHARGED SURFACE; SERIES APPROACH; ELECTROLYTES; SIMULATIONS; ADSORPTION;
D O I：
10.1016/j.electacta.2009.02.025
中图分类号：
O646 [电化学、电解、磁化学];
学科分类号：
081704 ;
摘要：
Results from Monte Carlo (MC) simulations for restricted electrolytes are presented for both 1:1 and 2:1 electrolytes. It is shown that the potential drop across the diffuse layer for these systems may be expressed by a Taylors series in the Gouy-Chapman (CC) estimate of the same quantity. The coefficients of this series are defined in terms of the MSA volume fraction and the reciprocal thickness of the ionic atmosphere. The series model can also be used to estimate the differential capacity of the diffuse layer. The properties of unrestricted electrolytes are considered at or very close to the potential of zero charge. (C) 2009 Elsevier Ltd. All rights reserved.
引用
收藏
页码：4997 / 5005
页数：9
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