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Rosenfeld functional for non-additive hard spheres

Matthias Schmidt
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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.

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Matthias Schmidt. 2004-07-01. Rosenfeld functional for non-additive hard spheres. https://doi.org/10.1088/0953-8984%2F16%2F30%2Fl01

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