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Modelling of phase equilibria for associating mixtures using an equation of state

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dc.contributor.authorFerreira, Olga
dc.contributor.authorBrignole, Esteban A.
dc.contributor.authorMacedo, Maria E.
dc.date.accessioned2010-02-25T16:27:51Z
dc.date.available2010-02-25T16:27:51Z
dc.date.issued2004
dc.description.abstractIn the present work, the group contribution with association equation of state (GCA-EoS) is extended to represent phase equilibria in mixtures containing acids, esters, and ketones, with water, alcohols, and any number of inert components. Association effects are represented by a group-contribution approach. Self- and cross-association between the associating groups present in these mixtures are considered. The GCA-EoS model is compared to the group-contribution method MHV2, which does not take into account explicitly association effects. The results obtained with the GCA-EoS model are, in general, more accurate when compared to the ones achieved by the MHV2 equation with less number of parameters. Model predictions are presented for binary self- and cross-associating mixtures.pt
dc.description.sponsorshipO. Ferreira acknowledges financial support from the PRAXIS program, FCT, Lisbon Portugal (SFRH/BD/879/2000). E.A. Brignole acknowledges financial support from CONICET, Argentina and the Universidad Nacional del Sur.pt
dc.identifier.citationFerreira, Olga; Brignole, Esteban A.; Macedo, Maria E. (2004). Modelling of phase equilibria for associating mixtures using an equation of state. Journal Chemical Thermodynamics. ISSN 1520-5134. 36:12, p.1105-1117pt
dc.identifier.issn0021-9614
dc.identifier.otherdoi:10.1016/j.jct.2004.07.001
dc.identifier.urihttp://hdl.handle.net/10198/2175
dc.language.isoengpt
dc.publisherElsevierpt
dc.relation.publisherversionhttp://www.sciencedirect.com/science/journal/00219614pt
dc.subjectPhase equilibriapt
dc.subjectEquation of statept
dc.subjectGroup-contribution modelpt
dc.subjectAssociationpt
dc.titleModelling of phase equilibria for associating mixtures using an equation of statept
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage1117pt
oaire.citation.startPage1105pt
oaire.citation.titleJournal Chemical Thermodynamicspt
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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