Analysis of the UNIFAC-Type Group-Contribution Models at the Highly Dilute Region. 1. Limitations of the Combinatorial and Residual Expressions

Voutsas, EC; Tassios, DP

dc.contributor.author	Voutsas, EC	en
dc.contributor.author	Tassios, DP	en
dc.date.accessioned	2014-03-01T01:12:38Z
dc.date.available	2014-03-01T01:12:38Z
dc.date.issued	1997	en
dc.identifier.issn	0888-5885	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/12178
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Correlation methods	en
dc.subject.other	Mathematical models	en
dc.subject.other	Flory Huggins theory	en
dc.subject.other	Universal functional group activity coefficient (UNIFAC) models	en
dc.subject.other	Mixtures	en
dc.title	Analysis of the UNIFAC-Type Group-Contribution Models at the Highly Dilute Region. 1. Limitations of the Combinatorial and Residual Expressions	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ie960770c	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ie960770c	en
heal.language	English	en
heal.publicationDate	1997	en
heal.abstract	An analysis of the behavior of UNIFAC-type group-contribution models at the infinite-dilution region is presented. It is shown that the modified UNIFAC and Entropic-FV combinatorial expressions account satisfactorily for the combinatorial effects, but not the Flory-Huggins and original UNIFAC ones. It is also shown that available residual terms fail to account sufficiently for the residual effects, performing actually better when combined with the aforementioned poorer Flory-Huggins and original UNIFAC combinatorial expressions. The ensuing implications of these limitations of the residual terms on the accuracy of infinite-dilution activity coefficient correlation are then demonstrated.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Industrial and Engineering Chemistry Research	en
dc.identifier.doi	10.1021/ie960770c	en
dc.identifier.isi	ISI:A1997YE91800066	en
dc.identifier.volume	36	en
dc.identifier.issue	11	en
dc.identifier.spage	4965	en
dc.identifier.epage	4972	en