Prediction of critical micelle concentrations of nonionic surfactants in aqueous and nonaqueous solvents with UNIFAC

Voutsas, EC; Flores, MV; Spiliotis, N; Bell, G; Halling, PJ; Tassios, DP

dc.contributor.author	Voutsas, EC	en
dc.contributor.author	Flores, MV	en
dc.contributor.author	Spiliotis, N	en
dc.contributor.author	Bell, G	en
dc.contributor.author	Halling, PJ	en
dc.contributor.author	Tassios, DP	en
dc.date.accessioned	2014-03-01T01:16:58Z
dc.date.available	2014-03-01T01:16:58Z
dc.date.issued	2001	en
dc.identifier.issn	0888-5885	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/14292
dc.subject	Critical Micelle Concentration	en
dc.subject	Nonionic Surfactant	en
dc.subject	Organic Solvent	en
dc.subject	Phase Separation	en
dc.subject	Thermodynamics	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Critical micelle concentration (CMC)	en
dc.subject.other	Phase separation	en
dc.subject.other	Solutions	en
dc.subject.other	Surface active agents	en
dc.subject.other	Thermodynamics	en
dc.subject.other	Micelles	en
dc.subject.other	ethylene derivative	en
dc.subject.other	nonionic surfactant	en
dc.subject.other	solvent	en
dc.subject.other	surfactant	en
dc.subject.other	solvent	en
dc.subject.other	aqueous solution	en
dc.subject.other	article	en
dc.subject.other	equilibrium constant	en
dc.subject.other	micelle	en
dc.subject.other	phase transition	en
dc.subject.other	surface tension	en
dc.subject.other	thermodynamics	en
dc.title	Prediction of critical micelle concentrations of nonionic surfactants in aqueous and nonaqueous solvents with UNIFAC	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ie0009841	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ie0009841	en
heal.language	English	en
heal.publicationDate	2001	en
heal.abstract	The UNIFAC group-contribution model is used to predict the critical micelle concentration (cmc) of nonionic surfactants in aqueous and nonaqueous solvents. For predicting the cmc, the phase-separation thermodynamic framework approach is used, where the micellar phase is approximated as a second liquid phase resulting from the liquid - liquid equilibrium between the solvent and the surfactant. The necessary activity coefficients are predicted by UNIFAC. The most promising UNIFAC model for this purpose was found to be the UNIFAC-Lyngby (Ind. Eng. Chem. Res. 1987, 26, 2274). To improve the results for surfactants containing oxyethylene chains, a new set of parameters was evaluated for this group, leading to still better cmc predictions for both water and organic solvents, as well as binary solvent systems.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Industrial and Engineering Chemistry Research	en
dc.identifier.doi	10.1021/ie0009841	en
dc.identifier.isi	ISI:000168620500018	en
dc.identifier.volume	40	en
dc.identifier.issue	10	en
dc.identifier.spage	2362	en
dc.identifier.epage	2366	en