Density functional theory of inhomogeneous liquids. II. A fundamental measure approach.

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  The weighted density functional theory proposed by Tarazona is applied to study the solid-liquid interface. In the last two decades the weighted density functional became a useful tool to consider the properties of inhomogeneous liquids. In this theory, the role of the size of molecules or the particles of which the matter is composed, was found to be important. In this resarch we study a har...

A fundamental-measure theory for inhomogeneous associating fluids

The fundamental-measure theory ~FMT! of Rosenfeld for hard spheres is extended to inhomogeneous associating fluids on the basis of Wertheim’s first-order thermodynamic perturbation theory ~TPT1!. The excess intrinsic Helmholtz energy, which includes contributions from hard-sphere repulsion and from intermolecular bonding, is represented as a functional of three weighted densities that are relat...

Structures of hard-sphere fluids from a modified fundamental-measure theory

We reformulate Rosenfeld’s fundamental-measure theory using the excess Helmholtz energy density from the Boublik–Mansoori–Carnahan–Starling–Leland equation of state instead of that from the scaled-particle theory. The new density functional theory yields improved density distributions, especially the contact densities, of inhomogeneous hard-sphere fluids as well as more accurate direct and pair...

Fluid structure from density-functional theory

We treat various common fluid models, like the inverse-power, Asakura-Oosawa, and Lennard-Jones potentials, within the soft fundamental measure theory (SFMT). We show that this recently proposed density-functional approach is able to predict the pair correlations in the fluid phase reliably compared to computer simulations. Explicit expressions for certain quantities of SFMT are given, namely, ...

An introduction to inhomogeneous liquids, density functional theory, and the wetting transition