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

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URI: https://hdl.handle.net/10016/7033
ISSN: 0953-8984 (Print)
ISSN: 1361-648X (Online)
DOI: 10.1088/0953-8984/14/46/307
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close_martinez-raton_jpcm_2002_ps.pdf (287.58 KB)
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2002-11-25
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IOP Publishing
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Abstract
We 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.
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16 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
Final publisher version available Open Access at: http://gisc.uc3m.es/~cuesta/papers-year.html
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[PACS] Statistical mechanics of classical fluids, [PACS] Theory and models of liquid structure, [PACS] Molecular liquids
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Journal of Physics: Condensed Matter, 2002, vol. 14, n. 46, p. 11965-11980
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