Effect of free volume redistribution on the diffusivity of water and benzene in poly(vinyl alcohol)

Chemical Engineering Science

Volumn 121, Issue , 2015, Pages 258-267

  Noorjahan, A ^a   Choi, P ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

Benzene; Free volume; Molecular dynamics; Poly(vinyl alcohol); Self diffusion coefficient; Water

Indexed keywords

BENZENE; COMPUTATIONAL GEOMETRY; DIFFUSION; DIFFUSION IN LIQUIDS; FREE VOLUME; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; SURFACE ANALYSIS; WATER;

DIFFUSION MECHANISMS; FRACTIONAL FREE VOLUME; INTERMOLECULAR INTERACTIONS; MOLECULAR DYNAMICS SIMULATIONS; POLY (VINYL ALCOHOL) (PVA); SELF-DIFFUSION COEFFICIENTS; SURFACE ANALYSIS METHODS; VORONOI TESSELLATIONS;

POLYVINYL ALCOHOLS;

EID: 84920696006     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2014.07.020     Document Type: Article

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