Fundamental measure theory for hard-sphere mixtures revisited: the White Bearversion

Abstract

We develop a density functional for hard-sphere mixtures which keeps thestructure of Rosenfeld’s fundamental measure theory (FMT) whilst inputting theMansoori–Carnahan–Starling–Leland bulk equation of state. Density profiles forthe pure hard-sphere fluid and for some binary mixtures adsorbed at a planarhard wall obtained from the present functional exhibit some improvementover those from the original FMT. The pair direct correlation functionc(2) (r)of the pure hard-sphere fluid, obtained from functional differentiation, is alsoimproved. When a tensor weight function is incorporated for the pure system ourfunctional yields a good description of fluid–solid coexistence and of the propertiesof the solid phase.