Phase equilibrium calculations in aqueous and nonaqueous mixtures of sugars and sugar derivatives with a group-contribution model

Tsavas, P; Voutsas, E; Magoulas, K; Tassios, D

dc.contributor.author	Tsavas, P	en
dc.contributor.author	Voutsas, E	en
dc.contributor.author	Magoulas, K	en
dc.contributor.author	Tassios, D	en
dc.date.accessioned	2014-03-01T01:21:14Z
dc.date.available	2014-03-01T01:21:14Z
dc.date.issued	2004	en
dc.identifier.issn	0888-5885	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/16144
dc.subject	Phase Equilibrium	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Binary mixtures	en
dc.subject.other	Enzymes	en
dc.subject.other	Esterification	en
dc.subject.other	Esters	en
dc.subject.other	Fatty acids	en
dc.subject.other	Phase equilibria	en
dc.subject.other	Aqueous mixtures	en
dc.subject.other	Asymmetric systems	en
dc.subject.other	Nonaqueous mixtures	en
dc.subject.other	Sugar (sucrose)	en
dc.subject.other	acid	en
dc.subject.other	carbohydrate derivative	en
dc.subject.other	ester	en
dc.subject.other	sugar	en
dc.subject.other	equilibrium	en
dc.subject.other	aqueous solution	en
dc.subject.other	article	en
dc.subject.other	combinatorial chemistry	en
dc.subject.other	compartment model	en
dc.subject.other	esterification	en
dc.subject.other	model	en
dc.subject.other	particle size	en
dc.subject.other	reaction analysis	en
dc.title	Phase equilibrium calculations in aqueous and nonaqueous mixtures of sugars and sugar derivatives with a group-contribution model	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ie049353n	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ie049353n	en
heal.language	English	en
heal.publicationDate	2004	en
heal.abstract	The S-UNIFAC model of Spiliotis and Tassios (Fluid Phase Equilib. 2000, 173, 39), developed for systems containing sugars, is modified here by replacing the LLE-UNIFAC model with the modified UNIFAC model of Larsen et al. (Ind. Eng. Chem. Res. 1987, 26, 22 74). This modification was motivated after an extensive evaluation-especially in systems containing molecules that differ significantly in size (asymmetric systems) such as those considered here-of the commonly used UNIFAC models. The applicability of the new model, called modified S-UNIFAC (mS-UNIFAC), is extended, as compared to S-UNIFAC, to mixtures of sugars with acids and esters and to mixtures containing sugar derivatives, such as sugar esters. Through the use of a better combinatorial term and new data, the model becomes more reliable than S-UNIFAC, providing satisfactory predictions for multicomponent systems involved in the enzymatic esterification reactions for the production of fatty acid sugar esters, for which S-UNIFAC fails.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Industrial and Engineering Chemistry Research	en
dc.identifier.doi	10.1021/ie049353n	en
dc.identifier.isi	ISI:000225940600032	en
dc.identifier.volume	43	en
dc.identifier.issue	26	en
dc.identifier.spage	8391	en
dc.identifier.epage	8399	en