Prediction of vapor-liquid equilibrium for polymer solutions by a group-contribution Redlich-Kwong-Soave equation of state

Bertucco, A. and Mio, C. (1996) Prediction of vapor-liquid equilibrium for polymer solutions by a group-contribution Redlich-Kwong-Soave equation of state. Fluid Phase Equilibria, 117(1-2), pp. 18-25. (doi:10.1016/0378-3812(95)02931-1)

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Abstract

The aim of this work is to apply a group-contribution cubic equation of state to vapor-liquid equilibria calculations of polymer-solvent mixtures. The model is based on a Redlich-Kwong-Soave equation of state with Huron-Vidal mixing rules where infinite-pressure activity coefficients are predicted by a UNIFAC-type model. An original procedure for estimating the equation-of-state parameters of the polymer is developed: experimental activity data of solvents in banary systems with the same polymer are used to fit parameter b (actually, b/MW) of the polymer, so that only one value of polymer density is needed to calculate parameter a at the temperature of interest. To show the potential of the proposed approach, a table of parameter b values is provided for six polymers, and several examples are presented both for nearly athermal and for polar polymer solutions. The model is able to correlate equilibrium pressure and solvent activities of the data base with good accuracy. The proposed method is then applied to predict solvent activities of systems not included in the fitting procedure with satisfactory results in all cases.

Item Type:Articles
Additional Information:Conference paper presented at the Seventh International Conference on Fluid Properties and Phase Equilibria for Chemical Process Design, Snowmass Village, CO, USA, 18-23 Jun 1995.
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Mio, Dr Cristina
Authors: Bertucco, A., and Mio, C.
College/School:College of Social Sciences > School of Education > Creativity Culture and Faith
Journal Name:Fluid Phase Equilibria
Publisher:Elsevier
ISSN:0378-3812
ISSN (Online):1879-0224

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