Monte Carlo simulation of the double layer at an electrode including the effect of a dielectric boundary

被引:13
作者
Alawneh, M. [1 ]
Henderson, D. [1 ]
机构
[1] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA
关键词
Monte Carlo simulation; dielectric boundary; density profiles; electrolyte; double layer;
D O I
10.1080/08927020601054068
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
Monte Carlo values of the density profiles and related properties of the double layer formed by an electrolyte near a charged electrode are reported for the cases where the electrode has a dielectric coefficient greater, equal, and smaller than that of the electrolyte that causes a surface polarization that can be represented by electrostatic images. As expected, compared to the case where there is no dielectric boundary the ions near the electrode are attracted or repelled by the electrode if the dielectric coefficient is greater or smaller, respectively, than that of the electrolyte. This effect is most pronounced near the electrode and is stronger for 2: 2 electrolytes than for 1: 1 electrolytes. For both monovalent and divalent ions the effect of the dielectric boundary is stronger at low concentrations.
引用
收藏
页码:541 / 547
页数:7
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