Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version
نویسنده
چکیده
We develop a density functional for hard-sphere mixtures which keeps the structure of Rosenfeld’s fundamental measure theory (FMT) whilst inputting the Mansoori–Carnahan–Starling–Leland bulk equation of state. Density profiles for the pure hard-sphere fluid and for some binary mixtures adsorbed at a planar hard wall obtained from the present functional exhibit some improvement over those from the original FMT. The pair direct correlation function c(2)(r) of the pure hard-sphere fluid, obtained from functional differentiation, is also improved. When a tensor weight function is incorporated for the pure system our functional yields a good description of fluid–solid coexistence and of the properties of the solid phase.
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