Molecular dynamics simulation of penetrant diffusion in amorphous polypropylene: diffusion mechanisms and simulation size effects

Macromolecules

Volumn 32, Issue 15, 1999, Pages 5017-5028

  Cuthbert, Thomas R ^a   Wagner, Norman J ^a   Paulaitis, Michael E ^b   Murgia, Giovanni ^c   D'Aguanno, Bruno ^c  

^a University of Delaware   (United States)

^b Johns Hopkins University   (United States)

^c CENTER FOR ADVANCED STUDIES   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS MATERIALS; ARGON; CARBON DIOXIDE; COMPUTER SIMULATION; CORRELATION METHODS; DIFFUSION; HELIUM; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONOMERS; SOLUBILITY; STATISTICAL METHODS;

AMORPHOUS POLYPROPYLENE; MOLECULAR DYNAMICS SIMULATION; PENETRANT DIFFUSION; SYSTEM SIZE DEPENDENCE; VAN HOVE CORRELATION FUNCTION;

POLYPROPYLENES;

EID: 0033154091     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma980997e     Document Type: Article

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