The nonequilibrium lattice fluid (NELF) model is here implemented with a simplified relation for bulk rheological behavior of glassy polymers, to obtain a predictive model for pseudoequilibrium solute content and volume dilation induced by swelling agents. The rheological model discussed in this work is ultimately used to derive a relation for the pseudoequilibrium volume of the polymeric system as a function of temperature and solute fugacity. The model makes use of two nonequilibrium parameters which, in turn, can be determined through the analysis of nonequilibrium pVT properties of the polymeric species. The predictive ability of the new model for solubility and volume swelling was tested by means of the comparison of model predictions and correlations with experimental data, available in the literature, for different polymer/penetrant pairs. The results obtained from the comparison allow one to conclude that the model is not just useful to describe the swelling effect of penetrants but also to recognize conditions at which plasticization by solute species induces a glass to rubber transition in the polymeric system.

A Predictive Model for Vapor Solubility and Volume Dilation in Glassy Polymers

MINELLI, MATTEO;DOGHIERI, FERRUCCIO
2012

Abstract

The nonequilibrium lattice fluid (NELF) model is here implemented with a simplified relation for bulk rheological behavior of glassy polymers, to obtain a predictive model for pseudoequilibrium solute content and volume dilation induced by swelling agents. The rheological model discussed in this work is ultimately used to derive a relation for the pseudoequilibrium volume of the polymeric system as a function of temperature and solute fugacity. The model makes use of two nonequilibrium parameters which, in turn, can be determined through the analysis of nonequilibrium pVT properties of the polymeric species. The predictive ability of the new model for solubility and volume swelling was tested by means of the comparison of model predictions and correlations with experimental data, available in the literature, for different polymer/penetrant pairs. The results obtained from the comparison allow one to conclude that the model is not just useful to describe the swelling effect of penetrants but also to recognize conditions at which plasticization by solute species induces a glass to rubber transition in the polymeric system.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
M. Minelli; F. Doghieri
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11585/133858
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