Prediction of liquid-liquid equilibrium for binary polymer solutions with simple activity coefficient models

Kontogeorgis, GM; Saraiva, A; Fredenslund, A; Tassios, DP

dc.contributor.author	Kontogeorgis, GM	en
dc.contributor.author	Saraiva, A	en
dc.contributor.author	Fredenslund, A	en
dc.contributor.author	Tassios, DP	en
dc.date.accessioned	2014-03-01T01:11:25Z
dc.date.available	2014-03-01T01:11:25Z
dc.date.issued	1995	en
dc.identifier.issn	0888-5885	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/11630
dc.subject	Polymer Solution	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	VAPOR-LIQUID	en
dc.subject.other	SOLVENT ACTIVITIES	en
dc.subject.other	PHASE-EQUILIBRIA	en
dc.subject.other	EQUATION	en
dc.subject.other	STATE	en
dc.subject.other	MIXTURES	en
dc.subject.other	SYSTEMS	en
dc.subject.other	UNIFAC	en
dc.title	Prediction of liquid-liquid equilibrium for binary polymer solutions with simple activity coefficient models	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ie00044a033	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ie00044a033	en
heal.language	English	en
heal.publicationDate	1995	en
heal.abstract	Liquid-liquid equilibrium predictions for binary polymer solutions using four simple UNIFAC-based activity coefficient models are presented in this work. The four models are the original UNIFAC, the new UNIFAC recently developed in Lyngby, a modified Flory-Huggins model, and the recently developed entropic-FV model. All four models are purely predictive, since they are based on the group-contribution approach. They employ existing UNIFAC group interaction parameter tables, which have been estimated from vapor-liquid equilibrium data of mixtures with exclusively low molecular weight compounds. The investigated models are capable of predicting UCST qualitatively well, but only the modified Flory-Huggins and the entropic-FV models can predict LCST (near the critical temperature of the solvent) and are, thus, able to describe the combined UCST/LCST behavior often found in polymer solutions. In particular, the entropic-FV model can represent the five types of phase diagrams which are most often encountered in polymer solutions, including closed loops and hourglass type. Furthermore the predictions with the entropic-FV model are in several cases (especially for nonpolar solutions) semiquantitatively correct and generally far more accurate than those provided by the classical UNIFAC models. © 1995 American Chemical Society.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Industrial and Engineering Chemistry Research	en
dc.identifier.doi	10.1021/ie00044a033	en
dc.identifier.isi	ISI:A1995QX50500033	en
dc.identifier.volume	34	en
dc.identifier.issue	5	en
dc.identifier.spage	1823	en
dc.identifier.epage	1834	en