An equation of state for associating fluids

Kontogeorgis, GM; Voutsas, EC; Yakoumis, IV; Tassios, DP

dc.contributor.author	Kontogeorgis, GM	en
dc.contributor.author	Voutsas, EC	en
dc.contributor.author	Yakoumis, IV	en
dc.contributor.author	Tassios, DP	en
dc.date.accessioned	2014-03-01T01:11:40Z
dc.date.available	2014-03-01T01:11:40Z
dc.date.issued	1996	en
dc.identifier.issn	0888-5885	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/11767
dc.subject	Equation of State	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Alcohols	en
dc.subject.other	Correlation methods	en
dc.subject.other	Parameter estimation	en
dc.subject.other	Perturbation techniques	en
dc.subject.other	Saturation (materials composition)	en
dc.subject.other	Vapor pressure	en
dc.subject.other	Associating fluids	en
dc.subject.other	Homomorph approach	en
dc.subject.other	Second virial coefficients	en
dc.subject.other	Soave-Redlich-Kwong equation	en
dc.subject.other	Equations of state of liquids	en
dc.title	An equation of state for associating fluids	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ie9600203	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ie9600203	en
heal.language	English	en
heal.publicationDate	1996	en
heal.abstract	An equation of state (EoS) suitable for describing associating fluids is presented. The equation combines the simplicity of a cubic equation of st-ate (the Soave-Redlich-Kwong), which is used for the physical part and the theoretical background of the perturbation theory employed for the chemical (or association) part. The resulting EoS (Cubic Plus Association) is not cubic with respect to volume and contains five pure compound parameters which are determined using vapor pressures and saturated liquid densities. Excellent correlations of both vapor pressures and saturated liquid volumes are obtained for primary-alcohols (from methanol up to 1-tridecanol), phenol, tert-butyl alcohol, triethylene glycol, and water. Moreover, excellent prediction of saturated liquid volumes may be obtained from parameters which have been estimated by regressing only vapor pressures. Finally, we suggest a method for reducing the number of adjustable parameters for alcohols to three while maintaining the good correlation of vapor pressures and saturated liquid volumes. We investigate the possibility of using the homomorph approach for estimating the EoS parameters and explain the problems observed. The estimated pure compound parameters have been tested in the prediction of second virial coefficients with satisfactory results.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Industrial and Engineering Chemistry Research	en
dc.identifier.doi	10.1021/ie9600203	en
dc.identifier.isi	ISI:A1996VR70500057	en
dc.identifier.volume	35	en
dc.identifier.issue	11	en
dc.identifier.spage	4310	en
dc.identifier.epage	4318	en