Monte Carlo simulation for the hard-core two-Yukawa fluids and test of the two-Yukawa equation of state

被引:23
作者
Lin, YZ [1 ]
Li, YG [1 ]
Lu, JF [1 ]
Wu, W [1 ]
机构
[1] Tsing Hua Univ, Dept Chem Engn, Beijing 100084, Peoples R China
关键词
D O I
10.1063/1.1518687
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
A recently proposed analytical equation of state (EOS) for the hard-core two-Yukawa fluids is tested against the results of Monte Carlo (MC) simulation in six cases. One range parameter in the two-Yukawa potential is taken as 1.8 or 2.8647, and another is taken as 2.0, 4.0, 8.0, or 13.5485. Attractive and repulsive dominant cases of the potential outside the core are all considered. The simulation conditions selected ensure that, the interaction between two particles is attractive at enough long distance. Some of the cases can give the similar potential as that between charged colloid particles. The hard-core two-Yukawa fluid with parameters, which are obtained from fitting the Lennard-Jones potential, is also studied. The two-Yukawa EOS results fit very well with that of the MC simulation except for some points at high density (as rho*=0.9), which is found to be crystal state. It is found that the two-Yukawa EOS can be used to study the fluid-fluid equilibrium of hard-core two-Yukawa fluid. (C) 2002 American Institute of Physics.
引用
收藏
页码:10165 / 10172
页数:8
相关论文
共 26 条
[1]   ON THE ANALYTICAL SOLUTION OF THE ORNSTEIN-ZERNIKE EQUATION WITH YUKAWA CLOSURE [J].
BLUM, L ;
VERICAT, F ;
HERRERAPACHECO, JN .
JOURNAL OF STATISTICAL PHYSICS, 1992, 66 (1-2) :249-262
[2]   Analytical solution of the Yukawa closure of the Ornstein-Zernike equation III: the one-component case [J].
Blum, L ;
Herrera, JN .
MOLECULAR PHYSICS, 1999, 96 (05) :821-826
[3]   Analytical solution of the Yukawa closure of the Ornstein-Zernike equation. II. The full solution [J].
Blum, L ;
Herrera, JN .
MOLECULAR PHYSICS, 1998, 95 (03) :425-429
[4]   Analytical solution of the Yukawa closure of the Ornstein-Zernike equation IV: the general 1-component case [J].
Blum, L ;
Ubriaco, M .
MOLECULAR PHYSICS, 2000, 98 (12) :829-835
[6]   SOLUTION OF THE ORNSTEIN-ZERNIKE EQUATION WITH YUKAWA CLOSURE FOR A MIXTURE [J].
BLUM, L ;
HOYE, JS .
JOURNAL OF STATISTICAL PHYSICS, 1978, 19 (04) :317-324
[7]   Variational extensions of the mean spherical approximation [J].
Blum, L ;
Ubriaco, M .
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 2000, 279 (1-4) :224-235
[8]   EQUATION OF STATE FOR NONATTRACTING RIGID SPHERES [J].
CARNAHAN, NF ;
STARLING, KE .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (02) :635-&
[9]   YUKAWA CLOSURE OF THE ORNSTEIN-ZERNIKE EQUATION [J].
CUMMINGS, PT ;
SMITH, ER .
MOLECULAR PHYSICS, 1979, 38 (03) :997-1001
[10]   An analytical equation of state for the hard-core Yukawa fluid [J].
Duh, DM ;
MierYTeran, L .
MOLECULAR PHYSICS, 1997, 90 (03) :373-379