Document Detail

Adsorption-Induced Deformation of Mesoporous Solids: Macroscopic Approach and Density Functional Theory.
MedLine Citation:
PMID:  21568283     Owner:  NLM     Status:  Publisher    
We present a theoretical study of the deformation of mesoporous solids during adsorption. The proposed thermodynamic model allows one to link the mechanical stress and strain to the solvation pressure exerted by the adsorbed molecules on the pore wall. Two approaches are employed for calculation of solvation pressure as a function of adsorbate pressure: the macroscopic Derjaguin-Broekhoff-de Boer theory of capillary condensation, and the microscopic density functional theory. We revealed that the macroscopic and microscopic theories are in quantitative agreement for the pores >8 nm diameter within the whole range of adsorbate pressures. For smaller pores, the macroscopic theory gradually deteriorates, and the density functional theory extends the thermodynamic model of adsorption-induced deformation to the nanometer scales.
Gennady Yu Gor; Alexander V Neimark
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2011-5-13
Journal Detail:
Title:  Langmuir : the ACS journal of surfaces and colloids     Volume:  -     ISSN:  1520-5827     ISO Abbreviation:  -     Publication Date:  2011 May 
Date Detail:
Created Date:  2011-5-16     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9882736     Medline TA:  Langmuir     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Department of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey , 98 Brett Road, Piscataway, New Jersey 08854-8058, United States.
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