Universal mixing rule for cubic equations of state applicable to symmetric and asymmetric systems: Results with the Peng-Robinson equation of state

Voutsas, E; Magoulas, K; Tassios, D

dc.contributor.author	Voutsas, E	en
dc.contributor.author	Magoulas, K	en
dc.contributor.author	Tassios, D	en
dc.date.accessioned	2014-03-01T01:21:40Z
dc.date.available	2014-03-01T01:21:40Z
dc.date.issued	2004	en
dc.identifier.issn	0888-5885	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/16309
dc.subject	Equation of State	en
dc.subject	Mixing Rule	en
dc.subject	Peng Robinson	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Free energy	en
dc.subject.other	Gibbs free energy	en
dc.subject.other	High pressure effects	en
dc.subject.other	Thermodynamics	en
dc.subject.other	Equilibrium predictions	en
dc.subject.other	Peng-Robinson equation of state	en
dc.subject.other	Universal mixing rules	en
dc.subject.other	Equations of state	en
dc.subject.other	asymmetric flow	en
dc.subject.other	mathematical method	en
dc.subject.other	mixing	en
dc.subject.other	article	en
dc.subject.other	combinatorial chemistry	en
dc.subject.other	concentration response	en
dc.subject.other	energy	en
dc.subject.other	model	en
dc.subject.other	system analysis	en
dc.title	Universal mixing rule for cubic equations of state applicable to symmetric and asymmetric systems: Results with the Peng-Robinson equation of state	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ie049580p	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ie049580p	en
heal.language	English	en
heal.publicationDate	2004	en
heal.abstract	A mixing rule for cubic equations of state (CEoS) applicable to all types of system asymmetries-referred to hereafter as the universal mixing rule (UMR)-is proposed. For the cohesion parameter of the CEoS, the mixing rule involves the Staverman-Guggenheim part of the combinatorial term and the residual term of the original UNIFAC Gibbs free energy expression. For the covolume parameter of the CEoS, the quadratic concentration-dependent mixing rule is used with the combining rule for the cross parameter b(ij) = [1/2(b(i)(1/2) + b(j)(1/2))](2). This UMR is applied to the volume-translated and modified version of the Peng-Robinson equation of state of Magoulas and Tassios (Fluid Phase Equillb. 1990, 56, 119), leading to what is referred to as the UMR-PR model. Very satisfactory results are obtained using the existing interaction parameters of the original UNIFAC model for vapor-liquid equilibrium predictions at low and high pressures for a wide range of system asymmetries including mixtures containing polymers. Satisfactory liquid-liquid equilibrium predictions are also obtained with the UMR-PR model.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Industrial and Engineering Chemistry Research	en
dc.identifier.doi	10.1021/ie049580p	en
dc.identifier.isi	ISI:000223807400033	en
dc.identifier.volume	43	en
dc.identifier.issue	19	en
dc.identifier.spage	6238	en
dc.identifier.epage	6246	en