Extension of UNIFAC to associating systems

Bibliographic Details
Main Author: Foco, Gloria
Publication Date: 2001
Other Authors: Ferreira, Olga, Brignole, Esteban A., Bottini, Susana B.
Language: eng
Source: Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
Download full: http://hdl.handle.net/10198/2166
Summary: An extended UNIFAC group contribution model for the prediction of activity coefficients in associating mixtures was presented recently (Mengarelli et al.,1999). In the present work the model is applied to solutions containing alcohols, water, carboxylic acids and inert components. The residual UNIFAC local composition term is re-parameterized in order to take into account only dispersive forces between associating and inert functional groups. Good representation of vapor-liquid and liquid-liquid equilibrium, as well as infinite dilution activity coefficients is achieved by using a single set of group interaction parameters.
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spelling Extension of UNIFAC to associating systemsActivity coefficientAssociationGroup contributionAn extended UNIFAC group contribution model for the prediction of activity coefficients in associating mixtures was presented recently (Mengarelli et al.,1999). In the present work the model is applied to solutions containing alcohols, water, carboxylic acids and inert components. The residual UNIFAC local composition term is re-parameterized in order to take into account only dispersive forces between associating and inert functional groups. Good representation of vapor-liquid and liquid-liquid equilibrium, as well as infinite dilution activity coefficients is achieved by using a single set of group interaction parameters.Biblioteca Digital do IPBFoco, GloriaFerreira, OlgaBrignole, Esteban A.Bottini, Susana B.2010-02-25T14:48:36Z20012001-01-01T00:00:00Zconference objectinfo:eu-repo/semantics/publishedVersionapplication/pdfapplication/pdfhttp://hdl.handle.net/10198/2166engFoco, Gloria; Ferreira, Olga; Brignole, Esteban A.; Bottini, Susana B. (2001). Extension of UNIFAC to associating systems. In Mercosur Congress on Chemical Engineering - ENPROMER. Santa Fé, USA. p.625-630info: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:RCAAP2025-02-25T11:55:29Zoai:bibliotecadigital.ipb.pt:10198/2166Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireinfo@rcaap.ptopendoar:https://opendoar.ac.uk/repository/71602025-05-28T11:17:03.748862Repositórios 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 UNIFAC to associating systems
title Extension of UNIFAC to associating systems
spellingShingle Extension of UNIFAC to associating systems
Foco, Gloria
Activity coefficient
Association
Group contribution
title_short Extension of UNIFAC to associating systems
title_full Extension of UNIFAC to associating systems
title_fullStr Extension of UNIFAC to associating systems
title_full_unstemmed Extension of UNIFAC to associating systems
title_sort Extension of UNIFAC to associating systems
author Foco, Gloria
author_facet Foco, Gloria
Ferreira, Olga
Brignole, Esteban A.
Bottini, Susana B.
author_role author
author2 Ferreira, Olga
Brignole, Esteban A.
Bottini, Susana B.
author2_role author
author
author
dc.contributor.none.fl_str_mv Biblioteca Digital do IPB
dc.contributor.author.fl_str_mv Foco, Gloria
Ferreira, Olga
Brignole, Esteban A.
Bottini, Susana B.
dc.subject.por.fl_str_mv Activity coefficient
Association
Group contribution
topic Activity coefficient
Association
Group contribution
description An extended UNIFAC group contribution model for the prediction of activity coefficients in associating mixtures was presented recently (Mengarelli et al.,1999). In the present work the model is applied to solutions containing alcohols, water, carboxylic acids and inert components. The residual UNIFAC local composition term is re-parameterized in order to take into account only dispersive forces between associating and inert functional groups. Good representation of vapor-liquid and liquid-liquid equilibrium, as well as infinite dilution activity coefficients is achieved by using a single set of group interaction parameters.
publishDate 2001
dc.date.none.fl_str_mv 2001
2001-01-01T00:00:00Z
2010-02-25T14:48:36Z
dc.type.driver.fl_str_mv conference object
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10198/2166
url http://hdl.handle.net/10198/2166
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Foco, Gloria; Ferreira, Olga; Brignole, Esteban A.; Bottini, Susana B. (2001). Extension of UNIFAC to associating systems. In Mercosur Congress on Chemical Engineering - ENPROMER. Santa Fé, USA. p.625-630
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.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
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instname_str FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
instacron_str RCAAP
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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
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