Thermodynamic property calculations with the universal mixing rule for EoS/GE models: Results with the Peng-Robinson EoS and a UNIFAC model

Voutsas, E; Louli, V; Boukouvalas, C; Magoulas, K; Tassios, D

dc.contributor.author	Voutsas, E	en
dc.contributor.author	Louli, V	en
dc.contributor.author	Boukouvalas, C	en
dc.contributor.author	Magoulas, K	en
dc.contributor.author	Tassios, D	en
dc.date.accessioned	2014-03-01T01:25:23Z
dc.date.available	2014-03-01T01:25:23Z
dc.date.issued	2006	en
dc.identifier.issn	0378-3812	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/17643
dc.subject	Asymmetric system	en
dc.subject	Equation of state	en
dc.subject	Mixing rule	en
dc.subject	Peng-Robinson	en
dc.subject	Thermodynamic properties	en
dc.subject	UNIFAC	en
dc.subject.classification	Thermodynamics	en
dc.subject.classification	Chemistry, Physical	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Correlation methods	en
dc.subject.other	Mathematical models	en
dc.subject.other	Mixing	en
dc.subject.other	Polymers	en
dc.subject.other	Solvents	en
dc.subject.other	Thermal effects	en
dc.subject.other	Thermodynamic properties	en
dc.subject.other	Asymmetric system	en
dc.subject.other	Mixing rule	en
dc.subject.other	Peng-Robinson	en
dc.subject.other	UNIFAC	en
dc.subject.other	Equations of state	en
dc.subject.other	Correlation methods	en
dc.subject.other	Equations of state	en
dc.subject.other	Mathematical models	en
dc.subject.other	Mixing	en
dc.subject.other	Polymers	en
dc.subject.other	Solvents	en
dc.subject.other	Thermal effects	en
dc.subject.other	Thermodynamic properties	en
dc.title	Thermodynamic property calculations with the universal mixing rule for EoS/GE models: Results with the Peng-Robinson EoS and a UNIFAC model	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.fluid.2005.12.028	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.fluid.2005.12.028	en
heal.language	English	en
heal.publicationDate	2006	en
heal.abstract	The universal mixing rule (UMR), which incorporates an activity coefficient model in a cubic equation of state (EoS), and is applicable to all type of system asymmetries up to solvent/polymer ones, has been recently developed in our laboratory [Voutsas et al., Ind. Eng. Chem. Res. 43 (2004) 62381. The original UNIFAC model with temperature-independent interaction parameters was used in the original publication, which leads, however, to unsatisfactory VLE predictions at high temperatures and poor heats of mixing predictions. In this study the UMR is applied by coupling the translated and modified Peng-Robinson (t-mPR) EoS with an original UNIFAC-type model that utilizes linearly temperature-dependent interaction parameters, eliminating, thus, the aforementioned weaknesses. The performance of the resulting EoS/G(E) model, referred to as UMR-PRU, utilizing the available UNIFAC interaction parameters, as well as some parameters developed here for gas involving pairs, is evaluated in the prediction and, when necessary, correlation/prediction, of various thermodynamic properties, i.e. VLE, LLE, VLLE, SGE and heats of mixing. The results indicate that the new model represents a unique, simple and reliable tool for thermodynamic property calculations for systems of various degrees of non-ideality and asymmetry, including polymer solutions. (c) 2006 Elsevier B.V. All rights reserved.	en
heal.publisher	ELSEVIER SCIENCE BV	en
heal.journalName	Fluid Phase Equilibria	en
dc.identifier.doi	10.1016/j.fluid.2005.12.028	en
dc.identifier.isi	ISI:000236637200023	en
dc.identifier.volume	241	en
dc.identifier.issue	1-2	en
dc.identifier.spage	216	en
dc.identifier.epage	228	en