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Article: Comparison of different mixing rules for prediction of density and residual internal energy of binary and ternary Lennard-Jones mixtures

TitleComparison of different mixing rules for prediction of density and residual internal energy of binary and ternary Lennard-Jones mixtures
Authors
KeywordsEquation of state
Lennard-Jones mixtures
Mixing rule
Issue Date2001
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/fluid
Citation
Fluid Phase Equilibria, 2001, v. 178 n. 1-2, p. 87-95 How to Cite?
AbstractMixing rules are necessary when equations of state for pure fluids are used to calculate various thermodynamic properties of fluid mixtures. The well-known van der Waals one-fluid (vdW1) mixing rules are proved to be good ones and widely used in different equations of state. But vdW1 mixing rules are valid only when molecular size differences of components in a mixture are not very large. The vdW1 type density-dependent mixing rule proposed by Chen et al. [1] is superior for the prediction of pressure and vapor-liquid equilibria when components in the mixture have very different sizes. The extension of the mixing rule to chain-like molecules and heterosegment molecules was also made with good results. In this paper, the comparison of different mixing rules are carried out further for the prediction of the density and the residual internal energy for binary and ternary Lennard-Jones (LJ) mixtures with different molecular sizes and different molecular interaction energy parameters. The results show that the significant improvement for the prediction of densities is achieved with the new mixing rule [1], and that the modification of the mixing rule for the interaction energy parameter is also necessary for better prediction of the residual internal energy. Copyright © 2001 Elsevier Science B.V.
Persistent Identifierhttp://hdl.handle.net/10722/70214
ISSN
2015 Impact Factor: 1.846
2015 SCImago Journal Rankings: 0.890
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorChen, Jen_HK
dc.contributor.authorMi, JGen_HK
dc.contributor.authorChan, KYen_HK
dc.date.accessioned2010-09-06T06:20:47Z-
dc.date.available2010-09-06T06:20:47Z-
dc.date.issued2001en_HK
dc.identifier.citationFluid Phase Equilibria, 2001, v. 178 n. 1-2, p. 87-95en_HK
dc.identifier.issn0378-3812en_HK
dc.identifier.urihttp://hdl.handle.net/10722/70214-
dc.description.abstractMixing rules are necessary when equations of state for pure fluids are used to calculate various thermodynamic properties of fluid mixtures. The well-known van der Waals one-fluid (vdW1) mixing rules are proved to be good ones and widely used in different equations of state. But vdW1 mixing rules are valid only when molecular size differences of components in a mixture are not very large. The vdW1 type density-dependent mixing rule proposed by Chen et al. [1] is superior for the prediction of pressure and vapor-liquid equilibria when components in the mixture have very different sizes. The extension of the mixing rule to chain-like molecules and heterosegment molecules was also made with good results. In this paper, the comparison of different mixing rules are carried out further for the prediction of the density and the residual internal energy for binary and ternary Lennard-Jones (LJ) mixtures with different molecular sizes and different molecular interaction energy parameters. The results show that the significant improvement for the prediction of densities is achieved with the new mixing rule [1], and that the modification of the mixing rule for the interaction energy parameter is also necessary for better prediction of the residual internal energy. Copyright © 2001 Elsevier Science B.V.en_HK
dc.languageengen_HK
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/fluiden_HK
dc.relation.ispartofFluid Phase Equilibriaen_HK
dc.rightsFluid Phase Equilibria. Copyright © Elsevier BV.en_HK
dc.subjectEquation of stateen_HK
dc.subjectLennard-Jones mixturesen_HK
dc.subjectMixing ruleen_HK
dc.titleComparison of different mixing rules for prediction of density and residual internal energy of binary and ternary Lennard-Jones mixturesen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0378-3812&volume=178&spage=87&epage=95&date=2001&atitle=Comparison+of+different+mixing+rules+for+prediction+of+density+and+residual+internal+energy+of+binary+and+ternary+Lennard-Jones+mixturesen_HK
dc.identifier.emailChan, KY:hrsccky@hku.hken_HK
dc.identifier.authorityChan, KY=rp00662en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/S0378-3812(00)00478-7en_HK
dc.identifier.scopuseid_2-s2.0-0035263368en_HK
dc.identifier.hkuros62412en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0035263368&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume178en_HK
dc.identifier.issue1-2en_HK
dc.identifier.spage87en_HK
dc.identifier.epage95en_HK
dc.identifier.isiWOS:000167607200006-
dc.publisher.placeNetherlandsen_HK
dc.identifier.scopusauthoridChen, J=36038004400en_HK
dc.identifier.scopusauthoridMi, JG=7102347406en_HK
dc.identifier.scopusauthoridChan, KY=7406034142en_HK

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