IMPROVED MODELS FOR THE PREDICTION OF ACTIVITY-COEFFICIENTS IN NEARLY ATHERMAL MIXTURES .1. 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	2014-03-01T01:42:48Z
dc.date.available	2014-03-01T01:42:48Z
dc.date.issued	1994	en
dc.identifier.issn	0378-3812	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/23951
dc.subject	THEORY	en
dc.subject	EXCESS FUNCTIONS	en
dc.subject	ACTIVITY COEFFICIENTS	en
dc.subject	MIXTURES OF HYDROCARBONS	en
dc.subject	FREE-VOLUME EFFECTS	en
dc.subject	POLYMER SOLUTIONS	en
dc.subject.classification	Thermodynamics	en
dc.subject.classification	Chemistry, Physical	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	MODIFIED UNIFAC MODEL	en
dc.subject.other	OF-ROTATORS EQUATION	en
dc.subject.other	HARD-CHAIN THEORY	en
dc.subject.other	COMBINATORIAL ENTROPY	en
dc.subject.other	SOLVENT ACTIVITIES	en
dc.subject.other	POLYMER-SOLUTIONS	en
dc.subject.other	LIQUID-MIXTURES	en
dc.subject.other	MOLTEN POLYMERS	en
dc.subject.other	CUBIC EQUATIONS	en
dc.subject.other	NORMAL-HEXANE	en
dc.title	IMPROVED MODELS FOR THE PREDICTION OF ACTIVITY-COEFFICIENTS IN NEARLY ATHERMAL MIXTURES .1. EMPIRICAL MODIFICATIONS OF FREE-VOLUME MODELS	en
heal.type	journalArticle	en
heal.language	English	en
heal.publicationDate	1994	en
heal.abstract	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 (gamma(1)) and a long-chain solute in a short-chain solvent (gamma(2)) 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 gamma(1) and gamma(2), and can also be extended to mixtures containing polymers.	en
heal.publisher	ELSEVIER SCIENCE BV	en
heal.journalName	FLUID PHASE EQUILIBRIA	en
dc.identifier.isi	ISI:A1994MT13100003	en
dc.identifier.volume	92	en
dc.identifier.spage	35	en
dc.identifier.epage	66	en