Correlation and prediction of infinite-dilution partial molar volumes of organic solutes in SC CO2 using the Peng-Robinson and PHCT equations of state and the LCVM EOS/GE model

Coutsikos, Ph; Magoulas, K; Tassios, D; Cortesi, A; Kikic, I

dc.contributor.author	Coutsikos, Ph	en
dc.contributor.author	Magoulas, K	en
dc.contributor.author	Tassios, D	en
dc.contributor.author	Cortesi, A	en
dc.contributor.author	Kikic, I	en
dc.date.accessioned	2014-03-01T01:12:43Z
dc.date.available	2014-03-01T01:12:43Z
dc.date.issued	1997	en
dc.identifier.issn	0896-8446	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/12214
dc.subject	Correlation	en
dc.subject	Equations of state	en
dc.subject	Partial molar volume	en
dc.subject	Supercritical carbon dioxide	en
dc.subject	Theory	en
dc.subject.classification	Chemistry, Physical	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	SUPERCRITICAL CARBON-DIOXIDE	en
dc.subject.other	VAPOR-LIQUID-EQUILIBRIA	en
dc.subject.other	PURE-COMPONENT PROPERTIES	en
dc.subject.other	HARD CHAIN THEORY	en
dc.subject.other	FLUID EXTRACTION	en
dc.subject.other	PHASE-EQUILIBRIA	en
dc.subject.other	BINARY-MIXTURES	en
dc.subject.other	SOLUBILITIES	en
dc.subject.other	UNIFAC	en
dc.subject.other	SYSTEMS	en
dc.title	Correlation and prediction of infinite-dilution partial molar volumes of organic solutes in SC CO2 using the Peng-Robinson and PHCT equations of state and the LCVM EOS/GE model	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/S0896-8446(97)00027-2	en
heal.identifier.secondary	http://dx.doi.org/10.1016/S0896-8446(97)00027-2	en
heal.language	English	en
heal.publicationDate	1997	en
heal.abstract	An extensive infinite-dilution partial molar volume (PMV) data base of various liquid and solid solutes in supercritical carbon dioxide, including the very recent experimental partial molar volume data reported by Spicka et al. [B. Spicka, A. Cortesi, M. Fermeglia, I. Kikic, Determination of partial molar volumes at infinite dilution using SFC technique, J. Supercrit Fluids 7 (1994) 171] and Cortesi et al. [A. Cortesi, I. Kikic, B. Spicka, K. Magoulas, D. Tassios, Determination of partial molar volumes at infinite dilution of alcohols and terpenes in supercritical carbon dioxide, J. Supercrit. Fluids 9 (1996) 141] is used for a comprehensive study of the capabilities of three different thermodynamic models for the prediction of infinite-dilution partial molar volume data. The models are two equations of state, i.e. the well-known Peng-Robinson cubic EoS and the perturbed hard-chain theory (PHCT) EoS, and an EoS/G(E) model, the recently proposed LCVM group-contribution model. Correlation of the whole data base has been also considered with the Peng-Robinson EoS in order to determine the capability of a cubic equation of state to describe PMV data. Generally, all models were found to be semi-quantitative in the PMV prediction, especially in the range of the PMV minimum. Satisfactory prediction results are obtained using the Peng-Robinson EoS with interaction parameters from phase equilibrium data, and the fully predictive LCVM model. Both LCVM and the PHCT models tend to overpredict the PMV of n-alkanes in carbon dioxide in the high-pressure region, while PHCT always gives less satisfactory prediction results. (C) 1997 Elsevier Science B.V.	en
heal.publisher	ELSEVIER SCIENCE BV	en
heal.journalName	Journal of Supercritical Fluids	en
dc.identifier.doi	10.1016/S0896-8446(97)00027-2	en
dc.identifier.isi	ISI:A1997YG50500003	en
dc.identifier.volume	11	en
dc.identifier.issue	1-2	en
dc.identifier.spage	21	en
dc.identifier.epage	35	en