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Group contribution modeling of activity coefficients in associating solutions containing water, alcohols and carboxylic acids

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dc.contributor.authorFerreira, Olga
dc.contributor.authorOrge, Beatriz
dc.contributor.authorFoco, Gloria
dc.contributor.authorBottini, Susana B.
dc.date.accessioned2010-02-25T16:55:52Z
dc.date.available2010-02-25T16:55:52Z
dc.date.issued2002
dc.description.abstractA modified UNIFAC group contribution model for the prediction of activity coefficients in associating solutions (A-UNIFAC) is applied to calculate phase equilibria in binary and ternary mixtures of associating and non-associating species, including alcohols, water, carboxylic acids, esters, alkanes, aromatic hydrocarbons and alkyl chlorides. Self- and cross-association in these mixtures is adequately described by the definition of a single hydrogen-bonding group. The new model is able to give good predictions of vapor-liquid equilibria, liquid-liquid equilibria and infinite dilution activity coefficients, using a single set of group-interaction parameters.pt
dc.description.sponsorshipThe authors are grateful to the Argentinian National Research Council (CONICET) and to Universidad Nacional del Sur (UNS) for financial support. M.O. Ferreira acknowledges financial support from the PRAXIS program, FCT, Lisbon, Portugal.pt
dc.identifier.citationFerreira, Olga, Orge, Beatriz; Foco, Gloria; Bottini, Susana B. (2002) - Group contribution modeling of activity coefficients in associating solutions containing water, alcohols and carboxylic acids. In Proceedings of the VI Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Desig. Iguazu, Argentina.pt
dc.identifier.urihttp://hdl.handle.net/10198/2176
dc.language.isoengpt
dc.subjectActivity coefficientpt
dc.subjectAssociationpt
dc.subjectGroup contributionpt
dc.titleGroup contribution modeling of activity coefficients in associating solutions containing water, alcohols and carboxylic acidspt
dc.typeconference object
dspace.entity.typePublication
oaire.citation.conferencePlaceIguazu, Argentinapt
oaire.citation.titleProceedings of the VI Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design - Equifase 2002pt
person.familyNameAmorim Sá Ferreira
person.givenNameMaria Olga
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.typeconferenceObjectpt
relation.isAuthorOfPublication59e0c608-0c21-4191-af5e-529d21970399
relation.isAuthorOfPublication.latestForDiscovery59e0c608-0c21-4191-af5e-529d21970399

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