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Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds

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dc.contributor.authorFerreira, Olga
dc.contributor.authorMacedo, Maria E.
dc.contributor.authorBottini, Susana B.
dc.date.accessioned2010-01-19T17:18:54Z
dc.date.available2010-01-19T17:18:54Z
dc.date.issued2005
dc.descriptionhttp://apps.isiknowledge.com/full_record.do?product=UA&search_mode=GeneralSearch&qid=4&SID=V21Di6PajaHLPoM3@AJ&page=1&doc=1&colname=WOS
dc.description.abstractIn the present work an extended UNIFAC group contribution model is used to calculate activity coefficients in solutions containing alcohols, water, carboxylic acids, esters, alkanes and aromatic hydrocarbons. The limiting expressions for the association contribution to the activity coefficients at infinite dilution are presented and discussed. A new set of interaction parameters between associating and non-associating functional groups is reported. This set of parameters is applied in the association model to predict vapor–liquid, liquid–liquid equilibrium and infinite dilution activity coefficients.pt
dc.description.sponsorshipThe authors are grateful to the National Research Council of Argentina (CONICET) and to Universidad Nacional del Sur (UNS) for financial support. O. Ferreira acknowledges financial support from the PRAXIS program, FCT, Lisbon, Portugal (SFRH/BD/879/2000).pt
dc.identifier.citationFerreira, Olga; Macedo, Maria E.; Bottini, Susana B. (2005). Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds. Fluid Phase Equilibria. ISSN 0378-3812. 227:2, p.165-176pt
dc.identifier.issn0378-3812
dc.identifier.urihttp://hdl.handle.net/10198/1321
dc.language.isoengpt
dc.publisherElsevierpt
dc.relation.publisherversiondoi:10.1016/j.fluid.2004.11.009pt
dc.subjectModelpt
dc.subjectActivity coefficientpt
dc.subjectAssociationpt
dc.subjectGroup-contributionpt
dc.titleExtension of the A-UNIFAC model to mixtures of cross- and self-associating compoundspt
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPagehttp://www.sciencedirect.com/science/journal/03783812pt
oaire.citation.titleFluid Phase Equilibriapt
person.familyNameFerreira
person.givenNameOlga
person.identifier.ciencia-id9F1D-C75A-4A54
person.identifier.orcid0000-0001-8414-3479
person.identifier.ridM-4567-2013
person.identifier.scopus-author-id57203083219
rcaap.rightsopenAccesspt
rcaap.typearticlept
relation.isAuthorOfPublication59e0c608-0c21-4191-af5e-529d21970399
relation.isAuthorOfPublication.latestForDiscovery59e0c608-0c21-4191-af5e-529d21970399

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