Monte Carlo study of binary mixtures adsorbed on square lattices

被引：17
作者：
Garcia, G. D. [1 ,2 ]
Sanchez-Varretti, F. O. [1 ,2 ]
Bulnes, F. [1 ]
Ramirez-Pastor, A. J. [1 ]
机构：
[1] Univ Nacl San Luis, Inst Fis Aplicada, Dpto Fis, CONICET, RA-5700 San Luis, Argentina
[2] Univ Tecnol Nacl, RA-5600 Mendoza, Argentina
来源：
SURFACE SCIENCE | 2012年 / 606卷 / 1-2期
关键词：
Equilibrium thermodynamics and statistical mechanics; Surface thermodynamics; Adsorption isotherms; Monte Carlo simulations; MULTICRITICAL PHASE-DIAGRAMS; EMERY-GRIFFITHS MODEL; ADSORPTION-ISOTHERMS; CALORIMETRIC HEATS; BRANCHED ALKANES; SIMULATION; SEPARATION; ZEOLITES; STATISTICS; C2H6;
D O I：
10.1016/j.susc.2011.09.002
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 monolayer adsorption of interacting binary mixtures on 2D square lattices has been studied through grand canonical Monte Carlo simulation in the framework of the lattice-gas model. The process has been monitored through total and partial isotherms and differential heats of adsorption corresponding to both species of the mixture. Repulsive lateral interactions between the adsorbed particles have been considered, resulting in a rich variety of structural orderings in the adlayer. At the end of this work, the phase diagram characterizing the transitions occurring in the system has been determined. A nontrivial interdependence between the partial surface coverage of both species was observed and discussed. (C) 2011 Elsevier B.V. All rights reserved.
引用
收藏
页码：83 / 90
页数：8
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