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Hard-sphere fluid mediated interaction: a pressure expression with application of the weighted correlation approach
University of Gävle, Faculty of Engineering and Sustainable Development, Department of Building, Energy and Environmental Engineering.
Department of Chemical Engineering and Technology, Royal Institute of Technology, Stockholm, Sweden.
Department of Chemical Engineering and Technology, Royal Institute of Technology, Stockholm, Sweden.
2016 (English)In: Molecular Physics, ISSN 0026-8976, E-ISSN 1362-3028, Vol. 114, no 5, 599-607 p.Article in journal (Refereed) Published
Abstract [en]

By using a so-called differential-integral method on the chemical potential of a hard-sphere fluid, a special variant of our previously developed expression that describes the interaction between charged plates immersed in an electrolyte, is introduced to examine the hard-sphere fluid mediated pressure in a slit. The resulting expression consists of a kinetic contribution and a hard-sphere contribution, and it is formulated as a function of the single-particle direct correlation function and the density distribution of a hard-sphere fluid. It allows us to conveniently apply the classic density functional theory to explicitly investigate the influence of the hard-sphere excluded-volume effect on the interaction pressure between surfaces. In this study, a newly proposed weighted correlation approach (WCA)-Denton and Ashcroft (DA) method is employed to predict the interaction pressure as well as its pressure components for a hard-sphere fluid inside a slit pore. Comparisons with the results from the Monte Carlo simulations and the fundamental measure theory suggest that the WCA-DA method is able to accurately capture the detailed characteristic pattern of the pressure-separation curves at different fluid densities. It is also found, both qualitatively and quantitatively, that the hard-sphere pressure contribution dominates over the kinetic pressure contribution in determining the oscillatory behaviour of the interaction pressure curves, especially when a hard-sphere fluid of high density is concerned.

Place, publisher, year, edition, pages
2016. Vol. 114, no 5, 599-607 p.
Keyword [en]
Density functional theory, weighted correlation approach, hard-sphere fluid
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:hig:diva-20607DOI: 10.1080/00268976.2015.1105392ISI: 000372096500004ScopusID: 2-s2.0-84960226669OAI: oai:DiVA.org:hig-20607DiVA: diva2:872021
Note

Funder: Swedish Nuclear Fuel and Waste Management Company (SKB)

Available from: 2015-11-17 Created: 2015-11-17 Last updated: 2016-04-15Bibliographically approved

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CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf