Phase equilibria of binary Lennard-Jones mixtures with cubic equations of state

Harismiadis, VI; Panagiotopoulos, AZ; Tassios, DP

dc.contributor.author	Harismiadis, VI	en
dc.contributor.author	Panagiotopoulos, AZ	en
dc.contributor.author	Tassios, DP	en
dc.date.accessioned	2014-03-01T01:10:06Z
dc.date.available	2014-03-01T01:10:06Z
dc.date.issued	1994	en
dc.identifier.issn	0378-3812	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/11313
dc.relation.uri	http://www.scopus.com/inward/record.url?eid=2-s2.0-0028389136&partnerID=40&md5=aa2439b96ff809e050ccf067eb948971	en
dc.subject	cubic	en
dc.subject	equation of state	en
dc.subject	Lennard-Jones	en
dc.subject	mixing rules	en
dc.subject	mixtures.	en
dc.subject	theory	en
dc.subject	vapor-liquid equilibria	en
dc.subject.classification	Thermodynamics	en
dc.subject.classification	Chemistry, Physical	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Density of liquids	en
dc.subject.other	Equations of state of liquids	en
dc.subject.other	Hydrocarbons	en
dc.subject.other	Mathematical models	en
dc.subject.other	Mixtures	en
dc.subject.other	Phase diagrams	en
dc.subject.other	Van der Waals forces	en
dc.subject.other	Vapor pressure	en
dc.subject.other	Vapors	en
dc.subject.other	Binary Lennard-Jones mixtures	en
dc.subject.other	Cubic equations of state	en
dc.subject.other	Lorentz-Berthelot combining rules	en
dc.subject.other	Peng-Robinson equation of state	en
dc.subject.other	Phase equilibria	en
dc.subject.other	Liquid/Liquid Mixtures	en
dc.subject.other	Phase Equilibrium Model	en
dc.title	Phase equilibria of binary Lennard-Jones mixtures with cubic equations of state	en
heal.type	journalArticle	en
heal.language	English	en
heal.publicationDate	1994	en
heal.abstract	Harismiadis, V.I., Panagiotopoulos, A.Z. and Tassios, D.P., 1994. Phase equilibria of binary Lennard-Jones mixtures with cubic equations of state. Fluid Phase Equilibria, 94: 1-18. The ability of cubic equations of state to predict the phase behavior of the Lennard-Jones pure fluid and asymmetric binary mixtures obeying the Lorentz-Berthelot combining rules is examined. It is shown that the commonly used Soave-Redlich-Kwong and Peng-Robinson equations of state give good vapor pressures but incorrect saturated liquid densities for the pure fluid. A modification of the Peng-Robinson equation of state that uses a volume translation term to describe accurately the saturated liquid densities is proposed. For the mixture calculations, we use the van der Waals one-fluid conformal solution mixing rules. All the cubic equations of state tested give excellent pressure-composition phase diagrams for the binary mixtures. Predictions of pressure-density phase envelopes are less satisfactory, but equivalent to those of other more complex equations of state previously developed for the Lennard-Jones fluid. Our results suggest that cubic equations of state can be used to model mixtures of significantly different compounds provided that appropriate combining and mixing rules are used. © 1994.	en
heal.publisher	ELSEVIER SCIENCE BV	en
heal.journalName	Fluid Phase Equilibria	en
dc.identifier.isi	ISI:A1994NE05700001	en
dc.identifier.volume	94	en
dc.identifier.issue	C	en
dc.identifier.spage	1	en
dc.identifier.epage	18	en