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    Weighted-density approximation for general nonuniform fluid mixtures

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    LairdB_PRE_1999(60)3417.pdf (73.03Kb)
    Issue Date
    1999-09-01
    Author
    Davidchack, Ruslan L.
    Laird, Brian Bostian
    Publisher
    American Physical Society
    Type
    Article
    Article Version
    Scholarly/refereed, publisher version
    Metadata
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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.
    Description
    This is the publisher's version, also available electronically from http://journals.aps.org/pre/abstract/10.1103/PhysRevE.60.3417
    URI
    http://hdl.handle.net/1808/16147
    DOI
    https://doi.org/10.1103/PhysRevE.60.3417
    ISSN
    1539-3755
    Collections
    • Chemistry Scholarly Works [626]
    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

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    Contact KU ScholarWorks
    785-864-8983
    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    785-864-8983

    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    Image Credits
     

     

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