Prediction of phase equilibrium in mixtures containing ionic liquids using UNIFAC

Alevizou, EI; Pappa, GD; Voutsas, EC

dc.contributor.author	Alevizou, EI	en
dc.contributor.author	Pappa, GD	en
dc.contributor.author	Voutsas, EC	en
dc.date.accessioned	2014-03-01T01:31:41Z
dc.date.available	2014-03-01T01:31:41Z
dc.date.issued	2009	en
dc.identifier.issn	0378-3812	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/19886
dc.subject	Binary mixtures	en
dc.subject	Infinite dilution activity coefficient	en
dc.subject	Ionic liquids	en
dc.subject	Multicomponent systems	en
dc.subject	Phase equilibrium	en
dc.subject	Prediction	en
dc.subject	UNIFAC	en
dc.subject.classification	Thermodynamics	en
dc.subject.classification	Chemistry, Physical	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Activity coefficients at infinite dilution	en
dc.subject.other	Binary liquids	en
dc.subject.other	Cyclo-alkanes	en
dc.subject.other	Experimental data	en
dc.subject.other	Group interaction parameter	en
dc.subject.other	Hexafluorophosphates	en
dc.subject.other	Imidazolium	en
dc.subject.other	Imidazolium cation	en
dc.subject.other	Infinite dilution activity coefficient	en
dc.subject.other	Infinite dilution activity coefficients	en
dc.subject.other	Liquid liquid equilibrium	en
dc.subject.other	Main group	en
dc.subject.other	Multicomponent systems	en
dc.subject.other	Prediction	en
dc.subject.other	Predictive capabilities	en
dc.subject.other	Reliable models	en
dc.subject.other	UNIFAC	en
dc.subject.other	UNIFAC model	en
dc.subject.other	Vapour-liquid equilibrium	en
dc.subject.other	Activity coefficients	en
dc.subject.other	Alkylation	en
dc.subject.other	Binary mixtures	en
dc.subject.other	Dilution	en
dc.subject.other	Ionization of liquids	en
dc.subject.other	Ions	en
dc.subject.other	Paraffins	en
dc.subject.other	Phase equilibria	en
dc.subject.other	Ternary systems	en
dc.subject.other	Water vapor	en
dc.subject.other	Ionic liquids	en
dc.title	Prediction of phase equilibrium in mixtures containing ionic liquids using UNIFAC	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.fluid.2009.06.012	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.fluid.2009.06.012	en
heal.language	English	en
heal.publicationDate	2009	en
heal.abstract	The UNIFAC model is extended to mixtures of ionic liquids consisting of the imidazolium cation and the hexafluorophosphate anion with alkanes, cycloalkanes, alcohols and water. Two new main groups, the imidazolium and the hexafluorophosphate groups, are introduced in UNIFAC. The required group interaction parameters between these groups and the existing UNIFAC main groups, CH2, OH and H2O, are determined by fitting binary liquid-liquid equilibrium and infinite dilution activity coefficient experimental data. The predictive capability of the extended UNIFAC model is examined against experimental data for vapour-liquid equilibrium, liquid-liquid equilibrium and activity coefficients at infinite dilution of binary and ternary systems containing 1-alkyl-3-alkyl'-imidazolium hexafluorophosphate ionic liquids, alkanes, cycloalkanes, alcohols and water. The results indicate that UNIFAC is a reliable model for phase equilibrium predictions in mixtures containing this type of ionic liquids. (C) 2009 Elsevier B.V. All rights reserved.	en
heal.publisher	ELSEVIER SCIENCE BV	en
heal.journalName	Fluid Phase Equilibria	en
dc.identifier.doi	10.1016/j.fluid.2009.06.012	en
dc.identifier.isi	ISI:000270349100004	en
dc.identifier.volume	284	en
dc.identifier.issue	2	en
dc.identifier.spage	99	en
dc.identifier.epage	105	en