Literature DB >> 18647030

Fundamental measure density functional theory studies on the freezing of binary hard-sphere and Lennard-Jones mixtures.

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


  1 in total

1.  Polar-solvation classical density-functional theory for electrolyte aqueous solutions near a wall.

Authors:  Vadim Warshavsky; Marcelo Marucho
Journal:  Phys Rev E       Date:  2016-04-18       Impact factor: 2.529

  1 in total

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