Monte Carlo simulation of a confined hard ellipse fluid

被引:12
|
作者
Moradi, M. [1 ]
Hashemi, S. [1 ]
Taghizadeh, F. [2 ]
机构
[1] Shiraz Univ, Coll Sci, Dept Phys, Shiraz 71454, Iran
[2] Univ Yasuj, Coll Sci, Dept Phys, Yasuj 75914353, Iran
关键词
Monte Carlo simulation; Molecular fluid; Hard ellipses; Confined fluid; Order parameter; DENSITY-FUNCTIONAL THEORY; NEMATIC LIQUID-CRYSTALS; ORIENTATIONAL ORDER; COMPUTER-SIMULATION; WALLS; SYSTEM;
D O I
10.1016/j.physa.2010.06.046
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The structural and thermodynamic properties of a confined hard ellipse fluid are studied using Monte Carlo simulation. The angular, average number densities and order parameters of hard ellipses confined between hard parallel walls are obtained for various bulk densities, aspect ratios and wall separations. The results show that the effect of the existence of the wall on the molecular fluid structure, either on their directions or their locations, with respect to the bulk, especially close to the walls, is significant. For this system the pressure is also obtained and it is shown that the average density at the wall is proportional to the pressure, beta P = (rho(w)). Our simulation results show that the order parameters depend on the number of the particles in the box unless it exceeds thousand. (C) 2010 Published by Elsevier By.
引用
收藏
页码:4510 / 4519
页数:10
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