Water vapor/propylene sorption and diffusion behavior in PVA-P(AA-AMPS) blend membranes by GCMC and MD simulation

Chemical Engineering Science

Volumn 64, Issue 24, 2009, Pages 5192-5197

  Pan, Fusheng ^a   Ma, Jing ^a   Cui, Li ^a   Jiang, Zhongyi ^a  

^a BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

Adsorption; Diffusion; Grand canonical Monte Carlo; Membranes; Molecular dynamics simulation; Simulation

Indexed keywords

ACRYLIC ACIDS; ATOMISTIC STRUCTURE; BLEND MEMBRANES; CHAIN MOBILITY; CHANGING TRENDS; DIFFUSION BEHAVIOR; DIFFUSION COEFFICIENTS; FREE VOLUME PROPERTIES; GAS MOLECULES; GRAND CANONICAL MONTE CARLO; INTERMOLECULAR INTERACTIONS; MASS TRANSPORT; MD SIMULATION; MEMBRANE STRUCTURES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; POLYMER CHAINS; SIMULATED RESULTS; SORPTION SITES;

ADSORPTION; CARBOXYLIC ACIDS; DIFFUSION; FLEXIBLE STRUCTURES; FREE VOLUME; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MONTE CARLO METHODS; ORGANIC ACIDS; ORGANIC POLYMERS; PROPYLENE; WATER VAPOR;

MEMBRANES;

EID: 71149104072     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2009.08.026     Document Type: Article

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