Document Detail

Effect of the reservoir size on gas adsorption in inhomogeneous porous media.
MedLine Citation:
PMID:  21825355     Owner:  NLM     Status:  In-Data-Review    
We study the influence of the relative size of the reservoir on the adsorption isotherms of a fluid in disordered or inhomogeneous mesoporous solids. We consider both an atomistic model of a fluid in a simple, yet structured pore, whose adsorption isotherms are computed by molecular simulation, and a coarse-grained model for adsorption in a disordered mesoporous material, studied by a density functional approach in a local mean-field approximation. In both cases, the fluid inside the porous solid exchanges matter with a reservoir of gas that is at the same temperature and chemical potential and whose relative size can be varied, and the control parameter is the total number of molecules present in the porous sample and in the reservoir. Varying the relative sizes of the reservoir and the sample within experimental range may change the shape of the hysteretic isotherms, leading to a 're-entrant' behavior compared to the grand-canonical isotherm when the latter displays a jump in density. We relate these phenomena to the organization of the metastable states that are accessible for the adsorbed fluid at a given chemical potential or density.
E Kierlik; J Puibasset; G Tarjus
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Publication Detail:
Type:  Journal Article     Date:  2009-03-17
Journal Detail:
Title:  Journal of physics. Condensed matter : an Institute of Physics journal     Volume:  21     ISSN:  0953-8984     ISO Abbreviation:  J Phys Condens Matter     Publication Date:  2009 Apr 
Date Detail:
Created Date:  2011-08-09     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101165248     Medline TA:  J Phys Condens Matter     Country:  England    
Other Details:
Languages:  eng     Pagination:  155102     Citation Subset:  -    
Laboratoire de Physique Théorique de la Matière Condensée, Université Pierre et Marie Curie, 4 place Jussieu, 75252 Paris Cedex 05, France.
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