Adsorption of a hard sphere fluid in a slitlike pore filled with a disordered matrix by the inhomogeneous replica Ornstein-Zernike equations

被引:34
作者
Kovalenko, A [1 ]
Sokolowski, S
Henderson, D
Pizio, O
机构
[1] Natl Acad Sci Ukraine, Inst Condensed Matter Phys, Lviv 11, Ukraine
[2] Marie Curie Sklodowska Univ, Fac Chem, Dept Modelling Physicochem Proc, PL-20031 Lublin, Poland
[3] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA
[4] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico
来源
PHYSICAL REVIEW E | 1998年 / 57卷 / 02期
关键词
D O I
10.1103/PhysRevE.57.1824
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
The density distribution and pair distribution functions for a fluid adsorbed in a slitlike pore filled with a quenched disordered hard sphere fluid are studied using the inhomogeneous replica Ornstein-Zernike equations with the inhomogeneous Percus-Yevick (PY) and hypernetted chain (HNC) approximations. The one and two particle functions are related via the Born-Green-Yvon equation. For comparison, grand canonical Monte Carlo simulation data are obtained. The agreement of thr integral equation results with the simulation data is good. In particular, we find "layering" in the density profiles near the pore boundaries. As the width of the pore is decreased, these layers are "squeezed" out. The pair functions are also described satisfactorily by the integral equations. The HNC results tend to be greater than the PY results near contact. [S1063-651X(98)04401-8].
引用
收藏
页码:1824 / 1831
页数:8
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