A Monte Carlo (N, V, T) study of the stability of charged interfaces: A simulation on a hypersphere

被引:51
作者
Delville, A [1 ]
Pellenq, RJM [1 ]
Caillol, JM [1 ]
机构
[1] UNIV ORLEANS, CNRS, MAPMO, UMR6628, DEPT MATH, F-45067 ORLEANS 02, FRANCE
关键词
D O I
10.1063/1.473689
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
We have used an exact expression of the Coulombic interactions derived on a hypersphere of an Euclidian space of dimension four to determine the swelling behavior of two infinite charged plates neutralized by exchangeable counterions. Monte Carlo simulations in the (N, V, T) ensemble allows for a derivation of short-ranged hard core repulsions and long-ranged electrostatic forces, which are the two components of the interionic forces in the context of the primitive model. Comparison with numerical results obtained by a classical Euclidian method illustrates the efficiency of the hyperspherical approach, especially at strong coupling between the charged particles, i.e., for divalent counterions and small plate separation. (C) 1997 American Institute of Physics.
引用
收藏
页码:7275 / 7285
页数:11
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