Testing free volume theory for penetrant diffusion in rubbery polymers

Tonge, M. P. and Gilbert, R. G. (2001) Testing free volume theory for penetrant diffusion in rubbery polymers. Polymer, 42 4: 1393-1405. doi:10.1016/S0032-3861(00)00518-8

Author Tonge, M. P.
Gilbert, R. G.
Title Testing free volume theory for penetrant diffusion in rubbery polymers
Journal name Polymer   Check publisher's open access policy
ISSN 0032-3861
Publication date 2001-01-01
Year available 2001
Sub-type Article (original research)
DOI 10.1016/S0032-3861(00)00518-8
Open Access Status DOI
Volume 42
Issue 4
Start page 1393
End page 1405
Total pages 13
Place of publication Oxford
Publisher Elsevier Sci Ltd
Language eng
Abstract Vrentas and Vrentas (Eur Polym J, 34 (1998) 797) have provided a method of evaluating diffusion coefficients using free volume theory, wherein all parameters can be estimated from the available experimental physical data or best estimates from approximate correlations (e.g. from a knowledge of the density, isothermal expansion coefficient, etc.). This method is tested using data for diffusion of methyl methacrylate and butyl methacrylate monomers in mixtures of the monomer and both polymers above the glass transition, over a range of polymer weight fraction and temperature (above T-g) (Macromolecules, 31 (1998) 7835). It was found that the predictions are reasonable for the well-studied MMA/PMMA system (although the predicted effective activation energy was poor), but the a priori predictions were in significant error for the other systems. The Vrentas method can be used reliably for interpolation and extrapolation of limited data, although because the predicted activation energies are too low, care should be taken with extrapolation over a significant temperature range. (C) 2000 Elsevier Science Ltd. All rights reserved.
Keyword Polymer Science
MMA/PMMA system
Molecular-dynamics Simulation
Solvent Self-diffusion
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collection: Centre for Nutrition and Food Sciences Publications
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Created: Thu, 20 Sep 2007, 02:33:16 EST