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dc.contributor.authorDavidchack, Ruslan L.
dc.contributor.authorLaird, Brian Bostian
dc.date.accessioned2014-12-17T16:56:16Z
dc.date.available2014-12-17T16:56:16Z
dc.date.issued1999-09-01
dc.identifier.citationDavidchack, 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
dc.identifier.issn1539-3755
dc.identifier.urihttp://hdl.handle.net/1808/16147
dc.descriptionThis is the publisher's version, also available electronically from http://journals.aps.org/pre/abstract/10.1103/PhysRevE.60.3417
dc.description.abstractIn 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.
dc.publisherAmerican Physical Society
dc.titleWeighted-density approximation for general nonuniform fluid mixtures
dc.typeArticle
kusw.kuauthorDavidchack, Ruslan L.
kusw.kuauthorLaird, Brian Bostian
kusw.kudepartmentChemistry
dc.identifier.doi10.1103/PhysRevE.60.3417
dc.identifier.orcidhttps://orcid.org/0000-0001-9418-5322
kusw.oaversionScholarly/refereed, publisher version
kusw.oapolicyThis item does not meet KU Open Access policy criteria.
dc.rights.accessrightsopenAccess


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