Modeling of liquid-liquid phase equilibria in aqueous solutions of poly(ethylene glycol) with a UNIFAC-based model

Tritopoulou, EA; Pappa, GD; Voutsas, EC; Economou, IG; Tassios, DP

dc.contributor.author	Tritopoulou, EA	en
dc.contributor.author	Pappa, GD	en
dc.contributor.author	Voutsas, EC	en
dc.contributor.author	Economou, IG	en
dc.contributor.author	Tassios, DP	en
dc.date.accessioned	2014-03-01T01:19:18Z
dc.date.available	2014-03-01T01:19:18Z
dc.date.issued	2003	en
dc.identifier.issn	0888-5885	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/15403
dc.subject	Aqueous Solution	en
dc.subject	Phase Equilibria	en
dc.subject	Poly Ethylene Glycol	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Mixtures	en
dc.subject.other	Molecular weight	en
dc.subject.other	Polyethylene glycols	en
dc.subject.other	Solubility	en
dc.subject.other	Solutions	en
dc.subject.other	Liquid-liquid equilibria (LLE)	en
dc.subject.other	Phase equilibria	en
dc.subject.other	macrogol	en
dc.subject.other	liquid-liquid equilibrium	en
dc.subject.other	aqueous solution	en
dc.subject.other	article	en
dc.subject.other	combinatorial chemistry	en
dc.subject.other	entropy	en
dc.subject.other	liquid	en
dc.subject.other	miscibility	en
dc.subject.other	molecular weight	en
dc.title	Modeling of liquid-liquid phase equilibria in aqueous solutions of poly(ethylene glycol) with a UNIFAC-based model	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ie0304154	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ie0304154	en
heal.language	English	en
heal.publicationDate	2003	en
heal.abstract	An activity coefficient model, which is a combination of the entropic-free volume combinatorial term and a UNIFAC residual term, referred to as EFV/UNIFAC, is applied to the correlation and prediction of the molecular weight effect on liquid-liquid equilibria (LLE) of aqueous poly-(ethylene glycol) (PEG) solutions. Interaction parameters between the end group of PEG and its repeating unit, as well as between the end group and the water molecule, are estimated by fitting activity coefficient experimental data of mixtures containing low molecular weight compounds. Interaction parameters between the water molecule and the repeating unit of PEG are determined from experimental LLE data for a single PEG molecular weight with water. These interaction parameters are used to predict the effect of the polymer molecular weight on miscibility. The proposed model provides a good compromise between accuracy and simplicity.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Industrial and Engineering Chemistry Research	en
dc.identifier.doi	10.1021/ie0304154	en
dc.identifier.isi	ISI:000185958500043	en
dc.identifier.volume	42	en
dc.identifier.issue	21	en
dc.identifier.spage	5399	en
dc.identifier.epage	5408	en