Article
Fundamental Measure Density Functional Theory Studies on the Freezing of Binary Hard-Sphere and Lennard-Jones Mixtures
Journal of Chemical Physics
Document Type
Article
Disciplines
Publication Version
Published Version
Publication Date
1-1-2008
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.
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
Copyright Date
2008
Language
en
File Format
application/pdf
Citation Information
Vadim B. Warshavsky and Xueyu Song. "Fundamental Measure Density Functional Theory Studies on the Freezing of Binary Hard-Sphere and Lennard-Jones Mixtures" Journal of Chemical Physics Vol. 129 (2008) p. 1 - 8 Available at: http://works.bepress.com/xueyu-song/34/
The following article appeared in Journal of Chemical Physics 129 (2008): 034506, and may be found at doi:10.1063/1.2953329.