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Weighted-density approximation for general nonuniform fluid mixtures
dc.contributor.author | Davidchack, Ruslan L. | |
dc.contributor.author | Laird, Brian Bostian | |
dc.date.accessioned | 2014-12-17T16:56:16Z | |
dc.date.available | 2014-12-17T16:56:16Z | |
dc.date.issued | 1999-09-01 | |
dc.identifier.citation | 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 | |
dc.identifier.issn | 1539-3755 | |
dc.identifier.uri | http://hdl.handle.net/1808/16147 | |
dc.description | This is the publisher's version, also available electronically from http://journals.aps.org/pre/abstract/10.1103/PhysRevE.60.3417 | |
dc.description.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. | |
dc.publisher | American Physical Society | |
dc.title | Weighted-density approximation for general nonuniform fluid mixtures | |
dc.type | Article | |
kusw.kuauthor | Davidchack, Ruslan L. | |
kusw.kuauthor | Laird, Brian Bostian | |
kusw.kudepartment | Chemistry | |
dc.identifier.doi | 10.1103/PhysRevE.60.3417 | |
dc.identifier.orcid | https://orcid.org/0000-0001-9418-5322 | |
kusw.oaversion | Scholarly/refereed, publisher version | |
kusw.oapolicy | This item does not meet KU Open Access policy criteria. | |
dc.rights.accessrights | openAccess |