Molecular dynamics simulation of diffusion of O2 and CO 2 in amorphous poly(ethylene terephthalate) and related aromatic polyesters

Polymer

Volumn 44, Issue 21, 2003, Pages 6713-6724

  Pavel, Dumitru ^a,b   Shanks, Robert ^a  

^a RMIT UNIVERSITY   (Australia)

^b MEMORIAL UNIVERSITY OF NEWFOUNDLAND   (Canada)

Author keywords

Diffusion; Free volume; Molecular dynamics simulation

Indexed keywords

AROMATIC POLYMERS; BOUNDARY CONDITIONS; COMPUTER SIMULATION; CORRELATION METHODS; MOLECULAR DYNAMICS; POLYESTERS;

AROMATIC RINGS;

POLYETHYLENE TEREPHTHALATES;

AROMATIC COMPOUND; CARBON DIOXIDE; OXYGEN; POLYESTER; POLYETHYLENE TEREPHTHALATE;

ANALYTIC METHOD; ARTICLE; CORRELATION ANALYSIS; DENSITY; DIFFUSION COEFFICIENT; GAS DIFFUSION; MOLECULAR DYNAMICS; SIMULATION; TEMPERATURE DEPENDENCE;

POLYMER;

EID: 0141817025     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2003.08.016     Document Type: Article

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