Application of hard sphere equations of state to the Weeks-Chandler-Andersen reference system

Citation
A. Mulero et al., Application of hard sphere equations of state to the Weeks-Chandler-Andersen reference system, J CHEM PHYS, 111(9), 1999, pp. 4186-4190
Citations number
29
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
9
Year of publication
1999
Pages
4186 - 4190
Database
ISI
SICI code
0021-9606(19990901)111:9<4186:AOHSEO>2.0.ZU;2-L
Abstract
Six analytical expressions (four of which have been published recently) for the equation of state of a hard sphere system, together with two different expressions for the molecular diameter, have been tested in order to repro duce molecular dynamics results for pressure and potential energy of the We eks-Chandler-Andersen reference system for the Lennard-Jones potential. The best choices for the combination of equations of state and molecular diame ters in the calculation of those properties are given. It is shown how that choice may differ for different ranges of temperatures and densities, and how there is not a direct relation between the simplicity or complexity of the analytical expressions and their accuracy. (C) 1999 American Institute of Physics. [S0021-9606(99)51333-0].