Chemistry, Ames Laboratory
Journal or Book Title
Journal of Chemical Physics
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.
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.
American Institute of Physics
Warshavsky, Vadim B. and Song, Xueyu, "Fundamental Measure Density Functional Theory Studies on the Freezing of Binary Hard-Sphere and Lennard-Jones Mixtures" (2008). Ames Laboratory Publications. 376.