WEIGHTED-DENSITY-FUNCTIONAL THEORY OF NONUNIFORM IONIC FLUIDS - APPLICATION TO ELECTRIC DOUBLE-LAYERS

被引:70
作者
PATRA, CN
GHOSH, SK
机构
[1] Heavy Water Division, Bhabha Atomic Research Centre
来源
PHYSICAL REVIEW E | 1993年 / 47卷 / 06期
关键词
D O I
10.1103/PhysRevE.47.4088
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
A weighted-density-functional theory is developed for inhomogeneous ionic fluids and applied to the structure of the electric double layer using the restricted primitive model where the ions are considered to be charged hard spheres of equal diameter. The formalism is nonperturbative with both hard-sphere and electrical contributions to the one-particle correlation function evaluated through a suitably averaged weighted density, the only input being the second-order direct correlation functions of the corresponding uniform system. Numerical results on the ionic density profile and the mean electrostatic potential near a hard wall at several surface charge densities are shown to compare well with available simulation results.
引用
收藏
页码:4088 / 4097
页数:10
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