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Weighted-density approximation for general nonuniform fluid mixtures
Davidchack, Ruslan L. Laird, Brian Bostian
Davidchack, Ruslan L.
Laird, Brian Bostian
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Abstract
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 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 multicomponent nonuniform fluid systems with spatially varying composition, such as solid-fluid interfaces. As a test of the accuracy of our 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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This is the publisher's version, also available electronically from http://journals.aps.org/pre/abstract/10.1103/PhysRevE.60.3417
Date
1999-09-01
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American Physical Society
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Davidchack, Ruslan L.; Laird, Brian Bostian. (1999). "Weighted-density approximation for general nonuniform fluid mixtures." Physical Review E, 60:3417. http://dx.doi.org/10.1103/PhysRevE.60.3417