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Close to the edge of fundamental measure theory: a density functional for hard-sphere mixtures

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dc.affiliation.dptoUC3M. Departamento de Matemáticases
dc.affiliation.grupoinvUC3M. Grupo de Investigación: Interdisciplinar de Sistemas Complejos (GISC)es
dc.contributor.authorCuesta, José A.
dc.contributor.authorMartínez-Ratón, Yuri
dc.contributor.authorTarazona, Pedro
dc.date.accessioned2010-02-25T11:41:45Z
dc.date.available2010-02-25T11:41:45Z
dc.date.issued2002-11-25
dc.description16 pages, 7 figures.-- PACS nrs.: 05.20.Jj, 61.20.Gy, 61.25.Em.-- ArXiv pre-print available at: http://arxiv.org/abs/cond-mat/0205256
dc.descriptionFinal publisher version available Open Access at: http://gisc.uc3m.es/~cuesta/papers-year.html
dc.description.abstractWe analyse the structure of the fundamental measure theory for the free energy density functional of hard-sphere mixtures. A comparative study of the different versions of the theory, and other density functional approaches, is carried out in terms of their generic form for the three-point direct correlation function, which shows clearly the main advantages and problems of the different approximations. A recently developed version for the monocomponent case is extended to mixtures of hard spheres with different radii, and a new prescription is presented for obtaining the exact dimensional crossover of those mixtures in the one-dimensional (1D) limit. Numerical results for planar wall–fluid interfaces and for the 1D fluid are presented.
dc.description.sponsorshipThis work is part of the research projects PB97-1223-C02-01 (DGESIC), BFM2001-1679-C03-02 (DGI) and BFM2000-0004 (DGI) of the Ministerio de Ciencia y Tecnología (Spain). Yuri Martínez-Ratón acknowledges financial support fromapostdoctoral grant of the Dirección General de Investigación of the Consejería de Educación de la Comunidad de Madrid (Spain).
dc.description.statusPublicado
dc.format.mimetypeapplication/pdf
dc.identifier.bibliographicCitationJournal of Physics: Condensed Matter, 2002, vol. 14, n. 46, p. 11965-11980
dc.identifier.doi10.1088/0953-8984/14/46/307
dc.identifier.issn0953-8984 (Print)
dc.identifier.issn1361-648X (Online)
dc.identifier.urihttps://hdl.handle.net/10016/7033
dc.language.isoeng
dc.publisherIOP Publishing
dc.relation.publisherversionhttp://dx.doi.org/10.1088/0953-8984/14/46/307
dc.rights© IOP Publishing
dc.rights.accessRightsopen access
dc.subject.ecienciaMatemáticas
dc.subject.other[PACS] Statistical mechanics of classical fluids
dc.subject.other[PACS] Theory and models of liquid structure
dc.subject.other[PACS] Molecular liquids
dc.titleClose to the edge of fundamental measure theory: a density functional for hard-sphere mixtures
dc.typeresearch article*
dc.type.reviewPeerReviewed
dspace.entity.typePublication
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