Structure and thermodynamic properties of Sutherland fluids from computer simulation and the Tang-Lu integral equation theory

被引：11
|
作者：
Diez, A.
Largo, J.
Solana, J. R. [1 ]
机构：
[1] Univ Cantabria, Dept Fis Aplicada, E-39005 Santander, Spain
[2] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy
来源：
FLUID PHASE EQUILIBRIA | 2007年 / 253卷 / 01期
关键词：
Monte Carlo simulation; structure; equation of state; Sutherland potential; integral equation theory;
D O I：
10.1016/j.fluid.2007.01.011
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
Monte Carlo simulations in the NVT ensemble have been performed for fluids of hard spheres plus attractive inverse power tails, to obtain the radial distribution function, the equation of state and the excess energy. The results obtained from the Monte Carlo simulations are compared with the predictions of the Tang-Lu [Y. Tang, B.C.-Y. Lu, Mol. Phys. 90 (1997) 215-224] integral equation theory. It is found that the agreement between theory and simulation is quite good for the radial distribution function and excellent for the equation of state and the excess energy. (c) 2007 Elsevier B.V. All rights reserved.
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页码：67 / 73
页数：7
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