Rosenfeld functional for non-additive hard spheres

Abstract

The fundamental measure density functional theory for hard spheres is generalized to binary mixtures of arbitrary positive and moderate negative non-additivity between unlike components. In bulk the theory predicts fluid-fluid phase separation into phases with different chemical compositions. The location of the accompanying critical point agrees well with previous results from simulations over a broad range of non-additivities and both for symmetric and highly asymmetric size ratios. Results for partial pair correlation functions show good agreement with simulation data.

8 pages with 4 figures

References in corpus (3)

• Theory of asymmetric non-additive binary hard-sphere mixtures
• Close to the edge of Fundamental Measure Theory: density functional for hard sphere mixtures
• Fundamental measure theory for lattice fluids with hard core interactions

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