Monte Carlo study of the electrode solvent primitive model electrolyte interface

被引：49

作者：

Lamperski, S. ^{[1
]}

Zydor, A. ^{[1
]}

机构：

[1] Adam Mickiewicz Univ Poznan, Fac Chem, Dept Phys Chem, PL-60780 Poznan, Poland

来源：

ELECTROCHIMICA ACTA | 2007年 / 52卷 / 07期

关键词：

solvent primitive model; electric double layer; Monte Carlo simulation; differential capacitance;

D O I：

10.1016/j.electacta.2006.08.045

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

Results of a Monte Carlo simulation of the electrode vertical bar electrolyte interface with and without solvent molecules are reported. The solvent molecules are modelled by neutral hard spheres immersed in a homogeneous dielectric medium. Calculations have been performed for 1: 1 and 1:2 electrolytes at c = 1M, with packing fraction eta = 0.3 when the solvent molecules were present, and at a wide range of electrode charge. Insertion of the solvent molecules induces a layering of ion and solvent molecules in the vicinity of the electrode surface. The presence of the solvent molecules reduces the thickness of the electric double layer, lowers the value of the mean electrostatic potential and raises capacitance. The differential capacitance results are compared with the MPB theory predictions. (c) 2006 Elsevier Ltd. All rights reserved.

引用

页码：2429 / 2436

页数：8

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