Document Detail


Guest dependent pressure behavior of the flexible MIL-53(Cr): A computational exploration.
MedLine Citation:
PMID:  22200051     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
Molecular dynamics simulations evidenced a structural transition of the flexible MIL-53(Cr) under a relatively moderate applied pressure ∼50 MPa. The incorporation of CO(2) within its porosity significantly shifts the onset of such a transformation at lower pressure while it decreases the bulk modulus of this solid.
Authors:
Qintian Ma; Qingyuan Yang; Aziz Ghoufi; Gérard Férey; Chongli Zhong; Guillaume Maurin
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2011-12-23
Journal Detail:
Title:  Dalton transactions (Cambridge, England : 2003)     Volume:  -     ISSN:  1477-9234     ISO Abbreviation:  -     Publication Date:  2011 Dec 
Date Detail:
Created Date:  2011-12-26     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101176026     Medline TA:  Dalton Trans     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Affiliation:
State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, P.O. Box 100, Beijing, 100029, China. zhongcl@mail.buct.edu.cn.
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