Campus Units

Chemistry, CENTERS AND INSTITUTES

Document Type

Article

Publication Version

Published Version

Publication Date

6-2004

Journal or Book Title

Physical Review E

Volume

69

First Page

1

Last Page

10

DOI

10.1103/PhysRevE.69.061113

Abstract

In this paper, a theoretical description of the free energies and correlation functions of hard-sphere (HS) liquid and solid phases is developed using fundamental measure density-functional theory. Within the framework of Weeks-Chandler-Andersen perturbation theory, free energies of liquid and solid phases with many interaction potentials can be obtained from these characteristics of the HS system within a single theoretical description. An application to the Lennard-Jones system yields liquid-solid coexistence results in good agreement with the ones from simulations.

Comments

This article is from Physical Review E 69 (2004): 061113, doi:10.1103/PhysRevE.69.061113. Posted with permission.

Copyright Owner

American Physical Society

Language

e

File Format

application/pdf

Included in

Chemistry Commons

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