Replica Ornstein-Zernike theory for chemically associating fluids with directional forces in disordered porous media: Smith-Nezbeda model in a hard sphere matrix

被引:14
作者
Orozco, GA
Pizio, O
Sokolowski, S
Trokhymchuk, A
机构
[1] Univ Nacl Autonoma Mexico, INST QUIM, COYOACAN 04510, DF, MEXICO
[2] MARIE CURIE SKLODOWSKA UNIV, FAC CHEM, DEPT MODELLING PHYS CHEM PROC, PL-20031 LUBLIN, POLAND
[3] NATL ACAD SCI UKRAINE, INST CONDENSED MATTER PHYS, UA-11 LVOV, UKRAINE
关键词
D O I
10.1080/002689797171111
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
The associative replica Ornstein-Zernike equations, supplemented by the associative hypernetted chain approximation are used to describe the Smith-Nezbeda model for an associating fluid adsorbed in a disordered hard sphere matrix. These equations have been developed by combining the replica Ornstein-Zernike equations with the Wertheim theory of association in fluids. The pair distribution functions and fraction of unbonded species are;calculated. Also investigated is the influence of the association on the equation of state a nd the chemical potential of the absorbed fluid.
引用
收藏
页码:625 / 634
页数:10
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