Prediction of Infinite-Dilution Activity Coefficients in Binary Mixtures with UNIFAC. A Critical Evaluation

Voutsas, EC; Tassios, DP

dc.contributor.author	Voutsas, EC	en
dc.contributor.author	Tassios, DP	en
dc.date.accessioned	2014-03-01T11:44:26Z
dc.date.available	2014-03-01T11:44:26Z
dc.date.issued	1996	en
dc.identifier.issn	0888-5885	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/36942
dc.subject	Binary Mixture	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Correlation methods	en
dc.subject.other	Database systems	en
dc.subject.other	Hydrocarbons	en
dc.subject.other	Mathematical models	en
dc.subject.other	Paraffins	en
dc.subject.other	Solutions	en
dc.subject.other	Water	en
dc.subject.other	Athermal alkane alkane asymmetric mixtures	en
dc.subject.other	Hydrocarbon water mixtures	en
dc.subject.other	Infinite dilution activity coefficients	en
dc.subject.other	Nonaqueous polar mixtures	en
dc.subject.other	Order of magnitude estimates	en
dc.subject.other	Pierotti Deal and Derr correlation	en
dc.subject.other	Binary mixtures	en
dc.title	Prediction of Infinite-Dilution Activity Coefficients in Binary Mixtures with UNIFAC. A Critical Evaluation	en
heal.type	other	en
heal.identifier.primary	10.1021/ie9503555	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ie9503555	en
heal.language	English	en
heal.publicationDate	1996	en
heal.abstract	Using an extensive data base, several UNIFAC-type activity coefficient models have been compared with respect to their accuracy in the prediction of infinite-dilution activity coefficients in binary mixtures. In the case of aqueous mixtures, the correlation of Pierotti, Deal, and Derr (PDD) has also been included in the comparison. For athermal alkane/alkane asymmetric mixtures the modified UNIFAC-type models perform very well, while the original UNIFAC ones give poor results. For nonaqueous polar mixtures, the modified UNIFAC of Gmehling et al. gives satisfactory results. For the highly nonideal aqueous systems, the PDD correlation is the best method. When the PDD correlation is not available, order of magnitude estimates can be obtained from the UNIFAC-LLE of Magnussen et al. Finally, for the hydrocarbon/water mixtures, the modified UNIFAC-type model of Hooper et al. should be used since it was specially developed for such systems.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Industrial and Engineering Chemistry Research	en
dc.identifier.doi	10.1021/ie9503555	en
dc.identifier.isi	ISI:A1996UF01500054	en
dc.identifier.volume	35	en
dc.identifier.issue	4	en
dc.identifier.spage	1438	en
dc.identifier.epage	1445	en