Theoretical studies of the correlations in moderately asymmetric binary hard-sphere solid mixtures

TitleTheoretical studies of the correlations in moderately asymmetric binary hard-sphere solid mixtures
Publication TypeJournal Article
Year of Publication2008
AuthorsWarshavsky VB, Song XY
Journal TitlePhysical Review E
Volume77
Pages051106
Date PublishedMay
Type of ArticleArticle
ISBN Number1539-3755
Accession NumberISI:000256885400017
KeywordsCONSISTENCY, CRYSTALS, density-functional theory, FLUID MIXTURES, fundamental-measure-theory, INTEGRALS, LIQUIDS, perturbation-theory, SIMPLE, thermodynamic properties
Abstract

A theoretical approach to calculate the correlation functions in binary hard-sphere (HS) solid mixtures is developed. The method is motivated by the theory of correlations in one-component HS solids [Rascon et aL, Phys. Rev. E 54, 1261 (1996)] and the Kirkwood-Buff theory for solutions. Combined with the fundamental measure density functional theory the approach provides correlation functions in good agreement with the numerical simulations results for the moderately asymmetric mixtures.

DOI10.1103/PhysRevE.77.051106
Alternate JournalPhys. Rev. E