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Review and Analysis of Molecular Simulations of Methane, Hydrogen, and Acetylene Storage in Metal-Organic Frameworks.

Authors :
Getman, Rachel B.
Youn-Sang Bae
Wilmer, Christopher E.
Snurr, Randall Q.
Source :
Chemical Reviews. Feb2012, Vol. 112 Issue 2, p703-723. 21p.
Publication Year :
2012

Abstract

The article offers analysis on the molecular simulations of hydrogen, methane and acetylene storage in metal-organic frameworks (MOFs). It evaluates computational studies of gas adsorption in MOFs using molecular modeling of the three gases. Furthermore, it notes the importance of molecular simulation in understanding adsorption activities in other porous materials and MOFs.

Details

Language :
English
ISSN :
00092665
Volume :
112
Issue :
2
Database :
Academic Search Index
Journal :
Chemical Reviews
Publication Type :
Academic Journal
Accession number :
72329487
Full Text :
https://doi.org/10.1021/cr200217c