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

Bibliographic Details
Main Author: Ferreira, Olga
Publication Date: 2005
Other Authors: Macedo, Maria E., Bottini, Susana B.
Format: Article
Language: eng
Source: Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
Download full: http://hdl.handle.net/10198/1321
Summary: http://apps.isiknowledge.com/full_record.do?product=UA&search_mode=GeneralSearch&qid=4&SID=V21Di6PajaHLPoM3@AJ&page=1&doc=1&colname=WOS
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network_name_str Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
repository_id_str https://opendoar.ac.uk/repository/7160
spelling Extension of the A-UNIFAC model to mixtures of cross- and self-associating compoundsModelActivity coefficientAssociationGroup-contributionhttp://apps.isiknowledge.com/full_record.do?product=UA&search_mode=GeneralSearch&qid=4&SID=V21Di6PajaHLPoM3@AJ&page=1&doc=1&colname=WOSIn 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.The 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).ElsevierBiblioteca Digital do IPBFerreira, OlgaMacedo, Maria E.Bottini, Susana B.2010-01-19T17:18:54Z20052005-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfapplication/pdfhttp://hdl.handle.net/10198/1321engFerreira, 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.165-1760378-3812info:eu-repo/semantics/openAccessreponame:Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)instname:FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologiainstacron:RCAAP2025-02-25T11:54:41Zoai:bibliotecadigital.ipb.pt:10198/1321Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireinfo@rcaap.ptopendoar:https://opendoar.ac.uk/repository/71602025-05-28T11:16:01.143071Repositórios Científicos de Acesso Aberto de Portugal (RCAAP) - FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologiafalse
dc.title.none.fl_str_mv Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds
title Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds
spellingShingle Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds
Ferreira, Olga
Model
Activity coefficient
Association
Group-contribution
title_short Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds
title_full Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds
title_fullStr Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds
title_full_unstemmed Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds
title_sort Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds
author Ferreira, Olga
author_facet Ferreira, Olga
Macedo, Maria E.
Bottini, Susana B.
author_role author
author2 Macedo, Maria E.
Bottini, Susana B.
author2_role author
author
dc.contributor.none.fl_str_mv Biblioteca Digital do IPB
dc.contributor.author.fl_str_mv Ferreira, Olga
Macedo, Maria E.
Bottini, Susana B.
dc.subject.por.fl_str_mv Model
Activity coefficient
Association
Group-contribution
topic Model
Activity coefficient
Association
Group-contribution
description http://apps.isiknowledge.com/full_record.do?product=UA&search_mode=GeneralSearch&qid=4&SID=V21Di6PajaHLPoM3@AJ&page=1&doc=1&colname=WOS
publishDate 2005
dc.date.none.fl_str_mv 2005
2005-01-01T00:00:00Z
2010-01-19T17:18:54Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10198/1321
url http://hdl.handle.net/10198/1321
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Ferreira, 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.165-176
0378-3812
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
instname:FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
instacron:RCAAP
instname_str FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
instacron_str RCAAP
institution RCAAP
reponame_str Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
collection Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
repository.name.fl_str_mv Repositórios Científicos de Acesso Aberto de Portugal (RCAAP) - FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
repository.mail.fl_str_mv info@rcaap.pt
_version_ 1833591747234496512

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