Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

2008

Journal or Book Title

Journal of Chemical Physics

Volume

129

First Page

1

Last Page

8

DOI

10.1063/1.2953329

Abstract

Free energies and correlation functions of liquid and solid hard-sphere (HS) mixtures are calculated using the fundamental measure density functional theory. Using the thermodynamicperturbation theory the free energies of solid and liquid Lennard-Jones (LJ) mixtures are obtained from correlation functions of HS systems within a single theoretical approach. The resulting azeotrope- and spindle-type solid-liquidphase diagrams of HS and LJ binary mixtures are in good agreement with the corresponding ones from computer simulations.

Comments

The following article appeared in Journal of Chemical Physics 129 (2008): 034506, and may be found at doi:10.1063/1.2953329.

Rights

Copyright 2008 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Copyright Owner

American Institute of Physics

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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