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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/97518
Ver los metadatos del registro completo
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CONICET Digital (CONICET) |
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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 Técnicas2025-09-29T10:43:11Zoai: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:34982025-09-29 10:43:11.598CONICET 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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1844614466326495232 |
score |
13.070432 |