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Multicomponent Fluids of Hard Spheres Near a Wall
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SYSNO ASEP 0305932 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title Multicomponent Fluids of Hard Spheres Near a Wall Title Vícesložkové tekutiny tuhých koulí v blízkosti stěny Author(s) Malijevský, Alexandr (UCHP-M) RID, ORCID, SAI
Yuste, S.B. (ES)
Santos, A. (ES)
de Haro, M.L. (MX)Source Title Physical Review E. - : American Physical Society - ISSN 1539-3755
Roč. 75, č. 6 (2007), 061201-1Number of pages 9 s. Language eng - English Country US - United States Keywords density functional theory ; monte carlo simulation ; multicomponent fluid Subject RIV CF - Physical ; Theoretical Chemistry CEZ AV0Z40720504 - UCHP-M (2005-2011) Annotation The rational function approximation method, density functional theory, and NVT Monte Carlo simulation are used to obtain the density profiles of multicomponent hard-sphere mixtures near a planar hard wall. Binary mixtures with a size ratio 1:3 in which both components occupy a similar volume are specifically examined. The results indicate that the present version of density functional theory yields an excellent overall performance. A reasonably accurate behavior of the rational function approximation method is also observed, except in the vicinity of the first minimum, where it may even predict unphysical negative values. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2008
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