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Density Functional Theory for Baxter’s Sticky Hard Spheres in Confinement

Hansen-Goos, Hendrik and Miller, Mark A. and Wettlaufer, J. S. (2012) Density Functional Theory for Baxter’s Sticky Hard Spheres in Confinement. Physical Review Letters, 108 (4), 047801. American Physical Society. DOI: 10.1103/PhysRevLett.108.047801

Full text not available from this repository.

Official URL: http://prl.aps.org/abstract/PRL/v108/i4/e047801


It has recently been shown that a free energy for Baxter’s sticky hard-sphere fluid is uniquely defined within the framework of fundamental measure theory (FMT) for the inhomogeneous hard-sphere fluid, provided that it obeys scaled-particle theory and the Percus-Yevick (PY) result for the direct correlation function [ H. Hansen-Goos and J. S. Wettlaufer J. Chem. Phys. 134 014506 (2011)]. Here, combining FMT weighted densities with a new vectorial weighted density, we regularize the divergences of the associated strongly confined limit. The free energy that emerges is exact in the zero-dimensional limit, leaves the underlying equation of state unaffected, and yields a direct correlation function distinct from that of PY. Comparison with simulation data for both the bulk pair-correlation function and the density profiles in confinement shows that the new theory is significantly more accurate than the PY-based results.

Item URL in elib:https://elib.dlr.de/80209/
Document Type:Article
Title:Density Functional Theory for Baxter’s Sticky Hard Spheres in Confinement
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Hansen-Goos, Hendrik hendrik.hansen-goos (at) dlr.deUNSPECIFIED
Miller, Mark A.University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, United KingdomUNSPECIFIED
Wettlaufer, J. S. NORDITA, Roslagstullsbacken 23, SE-10691 Stockholm, Sweden UNSPECIFIED
Journal or Publication Title:Physical Review Letters
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In ISI Web of Science:Yes
DOI :10.1103/PhysRevLett.108.047801
Page Range:047801
Sprouse, Gene D. UNSPECIFIED
Publisher:American Physical Society
Keywords:density functional theory, Baxter's sticky hard-sphere fluid
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Space Science and Exploration
DLR - Research area:Raumfahrt
DLR - Program:R EW - Erforschung des Weltraums
DLR - Research theme (Project):R - Vorhaben Exploration des Sonnensystems
Location: Berlin-Adlershof
Institutes and Institutions:Institute of Planetary Research > Planetary Physics
Institute of Planetary Research
Deposited By: Rückriemen, Tina
Deposited On:08 Jan 2013 08:27
Last Modified:30 May 2019 22:06

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