Self-diffusion and transport diffusion of light gases in metal-organic framework materials assessed using molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 109, Issue 33, 2005, Pages 15760-15768

  Skoulidas, Anastasios I ^a,c   Sholl, David S ^a,b  

^a NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^b CARNEGIE MELLON UNIVERSITY   (United States)

^c EXXONMOBIL UPSTREAM RESEARCH COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGHT GASES; METAL-ORGANIC FRAMEWORK (MOF) MATERIALS; MOLECULAR DIFFUSION; ROOM TEMPERATURE (RT);

ADSORPTION; ARGON; CARBON DIOXIDE; COMPUTER SIMULATION; DIFFUSION; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; NITROGEN; SCREENING; SEPARATION; TRANSPORT PROPERTIES;

MATERIALS SCIENCE;

EID: 24944463854     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp051771y     Document Type: Article

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