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

Autores
Ferreira, Olga; Brignole, Esteban Alberto; Macedo, Eugénia A.
Año de publicación
2004
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In 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.
Fil: Ferreira, Olga. Universidad de Porto; Portugal
Fil: Brignole, Esteban Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Fil: Macedo, Eugénia A.. Universidad de Porto; Portugal
Materia
ASSOCIATION
EQUATION OF STATE
GROUP-CONTRIBUTION MODEL
PHASE EQUILIBRIA
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/97518
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Modelling of phase equilibria for associating mixtures using an equation of stateFerreira, OlgaBrignole, Esteban AlbertoMacedo, Eugénia A.ASSOCIATIONEQUATION OF STATEGROUP-CONTRIBUTION MODELPHASE EQUILIBRIAhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2In 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.Fil: Ferreira, Olga. Universidad de Porto; PortugalFil: Brignole, Esteban Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Macedo, Eugénia A.. Universidad de Porto; PortugalAcademic Press Ltd - Elsevier Science Ltd2004-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/97518Ferreira, Olga; Brignole, Esteban Alberto; Macedo, Eugénia A.; Modelling of phase equilibria for associating mixtures using an equation of state; Academic Press Ltd - Elsevier Science Ltd; Journal of Chemical Thermodynamics; 36; 12; 12-2004; 1105-11170021-9614CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.jct.2004.07.001info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0021961404001259info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:15:56Zoai:ri.conicet.gov.ar:11336/97518instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 12:15:57.249CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Modelling of phase equilibria for associating mixtures using an equation of state
title Modelling of phase equilibria for associating mixtures using an equation of state
spellingShingle Modelling of phase equilibria for associating mixtures using an equation of state
Ferreira, Olga
ASSOCIATION
EQUATION OF STATE
GROUP-CONTRIBUTION MODEL
PHASE EQUILIBRIA
title_short Modelling of phase equilibria for associating mixtures using an equation of state
title_full Modelling of phase equilibria for associating mixtures using an equation of state
title_fullStr Modelling of phase equilibria for associating mixtures using an equation of state
title_full_unstemmed Modelling of phase equilibria for associating mixtures using an equation of state
title_sort Modelling of phase equilibria for associating mixtures using an equation of state
dc.creator.none.fl_str_mv Ferreira, Olga
Brignole, Esteban Alberto
Macedo, Eugénia A.
author Ferreira, Olga
author_facet Ferreira, Olga
Brignole, Esteban Alberto
Macedo, Eugénia A.
author_role author
author2 Brignole, Esteban Alberto
Macedo, Eugénia A.
author2_role author
author
dc.subject.none.fl_str_mv ASSOCIATION
EQUATION OF STATE
GROUP-CONTRIBUTION MODEL
PHASE EQUILIBRIA
topic ASSOCIATION
EQUATION OF STATE
GROUP-CONTRIBUTION MODEL
PHASE EQUILIBRIA
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv In 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.
Fil: Ferreira, Olga. Universidad de Porto; Portugal
Fil: Brignole, Esteban Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Fil: Macedo, Eugénia A.. Universidad de Porto; Portugal
description In 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.
publishDate 2004
dc.date.none.fl_str_mv 2004-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/97518
Ferreira, Olga; Brignole, Esteban Alberto; Macedo, Eugénia A.; Modelling of phase equilibria for associating mixtures using an equation of state; Academic Press Ltd - Elsevier Science Ltd; Journal of Chemical Thermodynamics; 36; 12; 12-2004; 1105-1117
0021-9614
CONICET Digital
CONICET
url http://hdl.handle.net/11336/97518
identifier_str_mv Ferreira, Olga; Brignole, Esteban Alberto; Macedo, Eugénia A.; Modelling of phase equilibria for associating mixtures using an equation of state; Academic Press Ltd - Elsevier Science Ltd; Journal of Chemical Thermodynamics; 36; 12; 12-2004; 1105-1117
0021-9614
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jct.2004.07.001
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0021961404001259
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Academic Press Ltd - Elsevier Science Ltd
publisher.none.fl_str_mv Academic Press Ltd - Elsevier Science Ltd
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.982451

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