A UNIFAC model for phase equilibrium calculations in aqueous and nonaqueous sugar solutions

Spiliotis, N; Tassios, D

dc.contributor.author	Spiliotis, N	en
dc.contributor.author	Tassios, D	en
dc.date.accessioned	2014-03-01T01:15:27Z
dc.date.available	2014-03-01T01:15:27Z
dc.date.issued	2000	en
dc.identifier.issn	0378-3812	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/13512
dc.subject	model	en
dc.subject	solid/liquid equilibria	en
dc.subject	liquid/liquid equilibria	en
dc.subject	vapor/liquid equilibria	en
dc.subject	carbohydrate	en
dc.subject	aqueous solution	en
dc.subject	nonaqueous solution	en
dc.subject.classification	Thermodynamics	en
dc.subject.classification	Chemistry, Physical	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	LIPASE-CATALYZED ESTERIFICATION	en
dc.subject.other	VAPOR-LIQUID-EQUILIBRIA	en
dc.subject.other	THERMODYNAMIC PROPERTIES	en
dc.subject.other	UNIQUAC MODEL	en
dc.subject.other	D-GLUCOSE	en
dc.subject.other	FRUCTOSE	en
dc.subject.other	WATER	en
dc.subject.other	PREDICTION	en
dc.subject.other	SUCROSE	en
dc.subject.other	SYSTEMS	en
dc.title	A UNIFAC model for phase equilibrium calculations in aqueous and nonaqueous sugar solutions	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/S0378-3812(00)00387-3	en
heal.identifier.secondary	http://dx.doi.org/10.1016/S0378-3812(00)00387-3	en
heal.language	English	en
heal.publicationDate	2000	en
heal.abstract	A UNIFAC type model is proposed to describe and predict phase equilibria in aqueous and nonaqueous sugar solutions. One new main UNIFAC group, CHOHsugar, has been introduced to describe all monosaccharides. This main group contains three different subgroups, CH2OH, CHOHaxial and CHOHequatorial, which are introduced based on considerations of the actual saccharide ring forms in solution. UNIFAC interaction parameters between the new group and the CH2; OH; H2O; CH2-O groups have been estimated from the solubility data of monosaccharides in water, alcohol and their binary solvent mixtures. Another UNIFAC main group, CH-O-CH, has been introduced to describe the disaccharide osidic bond. Interaction parameters between the new group and the CH2; OH; H2O; CH2-O; CHOHsugar groups have been estimated too. The model gives very satisfactory correlation and prediction of solute activity properties (i.e. solubility and i-butanol/water partition coefficients of sugars are determined by the activity of the solute) as well as satisfactory prediction of solvent activity properties (i.e. bubble and freezing points are: determined by the activity of the solvent). A comparison with the UNIFAC model developed recently by Peres and Macedo [Fluid Phase Equil. 139 (1997) 47-74], which is the only other predictive model applicable to nonaqueous sugar solutions, suggests that both models provide similar results for aqueous sugar solutions, but the proposed model is more suitable for the prediction of phase equilibrium of sugar solutions involving also nonaqueous solvents as well as in such two-phase systems. (C) 2000 Elsevier Science B.V. All rights reserved.	en
heal.publisher	ELSEVIER SCIENCE BV	en
heal.journalName	FLUID PHASE EQUILIBRIA	en
dc.identifier.doi	10.1016/S0378-3812(00)00387-3	en
dc.identifier.isi	ISI:000089635400003	en
dc.identifier.volume	173	en
dc.identifier.issue	1	en
dc.identifier.spage	39	en
dc.identifier.epage	55	en