Improved models for the prediction of activity coefficients in nearly athermal mixtures. Part I. Empirical modifications of free-volume models

Kontogeorgis, GM; Coutsikos, P; Tassios, D; Fredenslund, A

dc.contributor.author	Kontogeorgis, GM	en
dc.contributor.author	Coutsikos, P	en
dc.contributor.author	Tassios, D	en
dc.contributor.author	Fredenslund, A	en
dc.date.accessioned	2014-03-01T01:09:54Z
dc.date.available	2014-03-01T01:09:54Z
dc.date.issued	1994	en
dc.identifier.issn	03783812	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/11245
dc.subject	activity coefficients	en
dc.subject	excess functions	en
dc.subject	free-volume effects	en
dc.subject	mixtures of hydrocarbons	en
dc.subject	polymer solutions.	en
dc.subject	theory	en
dc.subject.other	Hydrocarbons	en
dc.subject.other	Mathematical models	en
dc.subject.other	Mixtures	en
dc.subject.other	Thermodynamic properties	en
dc.subject.other	Activity coefficients	en
dc.subject.other	Athermal mixtures	en
dc.subject.other	Excess functions	en
dc.subject.other	Free volume effects	en
dc.subject.other	Polymer solutions	en
dc.subject.other	Polymers	en
dc.title	Improved models for the prediction of activity coefficients in nearly athermal mixtures. Part I. Empirical modifications of free-volume models	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/0378-3812(94)80041-3	en
heal.identifier.secondary	http://dx.doi.org/10.1016/0378-3812(94)80041-3	en
heal.publicationDate	1994	en
heal.abstract	Kontogeorgis, G.M., Coutsikos, P., Tassios, D. and Fredenslund, A., 1994. Improved models for the prediction of activity coefficients in nearly athermal mixtures. Fluid Phase Equilibria, 92: 35-66. Mixtures containing exclusively normal, branched and cyclic alkanes, as well as saturated hydrocarbon polymers (e.g. poly(ethylene) and poly(isobutylene)), are known to exhibit almost athermal behavior. Several new activity coefficient models containing both combinatorial and free-volume contributions are proposed, tested and compared with classical models. It is shown that it is generally difficult to simultaneously predict the activity coefficients of both a short-chain solute in a long-chain solvent (γ1) and a long-chain solute in a short-chain solvent (γ2) with a single model. In addition, only few models can be applied to solutions with polymers. One of the proposed models (p-FV), however, can successfully predict both γ1 and γ2, and can also be extended to mixtures containing polymers. © 1994.	en
heal.journalName	Fluid Phase Equilibria	en
dc.identifier.doi	10.1016/0378-3812(94)80041-3	en
dc.identifier.volume	92	en
dc.identifier.issue	C	en
dc.identifier.spage	35	en
dc.identifier.epage	66	en