| Literature DB >> 18647030 |
Vadim B Warshavsky1, Xueyu Song.
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 thermodynamic perturbation 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-liquid phase diagrams of HS and LJ binary mixtures are in good agreement with the corresponding ones from computer simulations.Entities:
Year: 2008 PMID: 18647030 DOI: 10.1063/1.2953329
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488