Prediction of solid-gas equilibria with the Peng-Robinson equation of state

Coutsikos, P; Magoulas, K; Kontogeorgis, GM

dc.contributor.author	Coutsikos, P	en
dc.contributor.author	Magoulas, K	en
dc.contributor.author	Kontogeorgis, GM	en
dc.date.accessioned	2014-03-01T01:19:26Z
dc.date.available	2014-03-01T01:19:26Z
dc.date.issued	2003	en
dc.identifier.issn	0896-8446	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/15492
dc.subject	Asymmetric systems	en
dc.subject	Co-solvents	en
dc.subject	EoS/GE	en
dc.subject	Solid-gas equilibria	en
dc.subject.classification	Chemistry, Physical	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	alcohol	en
dc.subject.other	alkane	en
dc.subject.other	carbon dioxide	en
dc.subject.other	article	en
dc.subject.other	gas	en
dc.subject.other	model	en
dc.subject.other	prediction	en
dc.subject.other	solid	en
dc.subject.other	solubility	en
dc.subject.other	supercritical fluid	en
dc.subject.other	supercritical fluid extraction	en
dc.subject.other	thermodynamics	en
dc.title	Prediction of solid-gas equilibria with the Peng-Robinson equation of state	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/S0896-8446(02)00142-0	en
heal.identifier.secondary	http://dx.doi.org/10.1016/S0896-8446(02)00142-0	en
heal.language	English	en
heal.publicationDate	2003	en
heal.abstract	In many applications related to Supercritical-Fluid (SCF) technology, solids are dissolved in SC fluids. Experimental data are now available for many systems but cannot cover all cases of potential practical interest. The prediction of solid solubilities in SC fluids, often in the presence of co-solvents, is useful for rational design of SCF extraction and related processes. Recently, thermodynamics has made considerable steps towards describing complex systems (gases with polar compounds) at high pressures using the so-called Equation of State/Excess Gibbs Free Energy (EoS/G(E)) models. The success of these models is so far restricted to Vapor-Liquid Equilibria (VLE) for which they have been primarily developed and tested. In this work we evaluate such a predictive model, the LCVM EoS, for solid-gas equilibria (SGE) including systems with co-solvents. LCVM is chosen due to its success for VLE of asymmetric systems such as CO2 with heavy alkanes and alcohols. Successful predictions are obtained for several solids as well as for some systems with co-solvents, but the results are less satisfactory for complex, multifunctional solids. A discussion of several factors, which affect modeling of SGE with cubic EoS, is included. (C) 2002 Elsevier Science B.V. All rights reserved.	en
heal.publisher	ELSEVIER SCIENCE BV	en
heal.journalName	Journal of Supercritical Fluids	en
dc.identifier.doi	10.1016/S0896-8446(02)00142-0	en
dc.identifier.isi	ISI:000181647400001	en
dc.identifier.volume	25	en
dc.identifier.issue	3	en
dc.identifier.spage	197	en
dc.identifier.epage	212	en