Molecular dynamics simulations of alkanes in the zeolite silicalite: Evidence for resonant diffusion effects

Journal of Physical Chemistry B

Volumn 101, Issue 33, 1997, Pages 6394-6408

  Runnebaum, Ron C ^a,b   Maginn, Edward J ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

^b PROCTER AND GAMBLE COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; COMPUTATIONAL METHODS; CONFORMATIONS; DIFFUSION IN SOLIDS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PARAFFINS; THERMAL EFFECTS; ZEOLITES;

RESONANT DIFFUSION EFFECTS;

MOLECULAR DYNAMICS;

EID: 0031208595     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970774a     Document Type: Article

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