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arxiv: cond-mat/9903158 · v1 · submitted 1999-03-10 · ❄️ cond-mat.stat-mech

Weighted-density approximation for general nonuniform fluid mixtures

classification ❄️ cond-mat.stat-mech
keywords extensionfluidnonuniformapproximationashcroftfunctionalgeneralmixtures
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In order to construct a general density-functional theory for nonuniform fluid mixtures, we propose an extension to multicomponent systems of the weighted-density approximation (WDA) of Curtin and Ashcroft [Phys. Rev. A 32, 2909 (1985)]. This extension corrects a deficiency in a similar extension proposed earlier by Denton and Ashcroft [Phys. Rev. A 42, 7312 (1990)], in that that functional cannot be applied to the multi-component nonuniform fluid systems with spatially varying composition, such as solid-fluid interfaces. As a test of the accuracy of our new functional, we apply it to the calculation of the freezing phase diagram of a binary hard-sphere fluid, and compare the results to simulation and the Denton-Ashcroft extension.

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