A molecular simulation study of adsorption and desorption in closed end slit pores: is there a hysteresis loop?

Fan, Chunyan, Zeng, Yonghong, Do D.D. and Nicholson, D. (2015) A molecular simulation study of adsorption and desorption in closed end slit pores: is there a hysteresis loop?. Chemical Engineering Science, 121 313-321. doi:10.1016/j.ces.2014.08.018

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Author Fan, Chunyan
Zeng, Yonghong
Do D.D.
Nicholson, D.
Title A molecular simulation study of adsorption and desorption in closed end slit pores: is there a hysteresis loop?
Journal name Chemical Engineering Science   Check publisher's open access policy
ISSN 0009-2509
1873-4405
Publication date 2015-01-06
Year available 2014
Sub-type Article (original research)
DOI 10.1016/j.ces.2014.08.018
Open Access Status
Volume 121
Start page 313
End page 321
Total pages 9
Place of publication Kidlington, Oxford, United Kingdom
Publisher Pergamon Press
Collection year 2015
Language eng
Abstract This paper reports detailed simulations of adsorption and desorption of argon in closed end slit pores with the aim of investigating the existence of hysteresis. The classical thermodynamic approach implies that there should be no hysteresis in a closed end pore because it assumes that the condensed phase is identical to a uniform bulk liquid and that the interface between the gas-like region and the dense adsorbate region is the same when the pore fills as when it empties. Our simulations show that hysteresis is possible and we support this assertion with evidence from a critical analysis of the classical equation. Our extensive results show that hysteresis can occur in closed end pores because of the continuous structuring of the adsorbed phase induced by the combined effects of the solid-fluid interaction and the fluid-fluid interaction.
Keyword Desorption
Molecular simulation
Slit pores
Hysteresis
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ
Additional Notes Published online ahead of print 19 August 2014

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemical Engineering Publications
Official 2015 Collection
 
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Created: Tue, 21 Oct 2014, 00:37:40 EST by System User on behalf of School of Chemical Engineering