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Hard-sphere fluid mediated interaction: a pressure expression with application of the weighted correlation approach
Högskolan i Gävle, Akademin för teknik och miljö, Avdelningen för bygg- energi- och miljöteknik, Miljöteknik.
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 (Engelska)Ingår i: Molecular Physics, ISSN 0026-8976, E-ISSN 1362-3028, Vol. 114, nr 5, s. 599-607Artikel i tidskrift (Refereegranskat) 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.

Ort, förlag, år, upplaga, sidor
2016. Vol. 114, nr 5, s. 599-607
Nyckelord [en]
Density functional theory, weighted correlation approach, hard-sphere fluid
Nationell ämneskategori
Atom- och molekylfysik och optik
Identifikatorer
URN: urn:nbn:se:hig:diva-20607DOI: 10.1080/00268976.2015.1105392ISI: 000372096500004Scopus ID: 2-s2.0-84960226669OAI: oai:DiVA.org:hig-20607DiVA, id: diva2:872021
Anmärkning

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

Tillgänglig från: 2015-11-17 Skapad: 2015-11-17 Senast uppdaterad: 2018-03-13Bibliografiskt granskad

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