Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons

Autores
Gonzalez Prieto, Mariana; Sánchez, Francisco Adrián; Pereda, Selva
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The Group Contribution with Association Equation of State (GCA-EoS) has been successfully applied to represent the global phase behavior of carbon dioxide mixtures with alkanes. Using a single set of parameters, the model is able to predict vapor−liquid and liquid−liquid equilibria of binary mixtures not included in the parametrization procedure. Special emphasis was set on describing the transformation between types of fluid phase behavior to reduce the jeopardy of predicting incorrect liquid split. This family of binary systems has been investigated in previous works; however, this is the first time that GCA-EoS was shown to be able to represent the transformation between types of phase behavior as the length of the alkyl chain increases. The model was tested against an experimental database covering C3−C36 alkanes, temperatures from 210 to 660 K, and pressures up to 400 bar. The wide range of conditions and the parametrization strategy are keys to develop a robust thermodynamic tool forpredicting multiphase behavior.
Fil: Gonzalez Prieto, Mariana. 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: Sánchez, Francisco Adrián. 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: Pereda, Selva. 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
Materia
Co2
Gca-Eos
Multiphase
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:11336/26166
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbonsGonzalez Prieto, MarianaSánchez, Francisco AdriánPereda, SelvaCo2Gca-EosMultiphasehttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2The Group Contribution with Association Equation of State (GCA-EoS) has been successfully applied to represent the global phase behavior of carbon dioxide mixtures with alkanes. Using a single set of parameters, the model is able to predict vapor−liquid and liquid−liquid equilibria of binary mixtures not included in the parametrization procedure. Special emphasis was set on describing the transformation between types of fluid phase behavior to reduce the jeopardy of predicting incorrect liquid split. This family of binary systems has been investigated in previous works; however, this is the first time that GCA-EoS was shown to be able to represent the transformation between types of phase behavior as the length of the alkyl chain increases. The model was tested against an experimental database covering C3−C36 alkanes, temperatures from 210 to 660 K, and pressures up to 400 bar. The wide range of conditions and the parametrization strategy are keys to develop a robust thermodynamic tool forpredicting multiphase behavior.Fil: Gonzalez Prieto, Mariana. 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: Sánchez, Francisco Adrián. 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: Pereda, Selva. 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; ArgentinaAmerican Chemical Society2015-11-17info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/26166Gonzalez Prieto, Mariana; Sánchez, Francisco Adrián; Pereda, Selva; Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons; American Chemical Society; Industrial & Engineering Chemical Research; 54; 49; 17-11-2015; 12415-124270888-58851520-5045CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/acs.iecr.5b03269info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.iecr.5b03269info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:35:20Zoai:ri.conicet.gov.ar:11336/26166instacron: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 10:35:20.682CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons
title Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons
spellingShingle Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons
Gonzalez Prieto, Mariana
Co2
Gca-Eos
Multiphase
title_short Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons
title_full Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons
title_fullStr Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons
title_full_unstemmed Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons
title_sort Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons
dc.creator.none.fl_str_mv Gonzalez Prieto, Mariana
Sánchez, Francisco Adrián
Pereda, Selva
author Gonzalez Prieto, Mariana
author_facet Gonzalez Prieto, Mariana
Sánchez, Francisco Adrián
Pereda, Selva
author_role author
author2 Sánchez, Francisco Adrián
Pereda, Selva
author2_role author
author
dc.subject.none.fl_str_mv Co2
Gca-Eos
Multiphase
topic Co2
Gca-Eos
Multiphase
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv The Group Contribution with Association Equation of State (GCA-EoS) has been successfully applied to represent the global phase behavior of carbon dioxide mixtures with alkanes. Using a single set of parameters, the model is able to predict vapor−liquid and liquid−liquid equilibria of binary mixtures not included in the parametrization procedure. Special emphasis was set on describing the transformation between types of fluid phase behavior to reduce the jeopardy of predicting incorrect liquid split. This family of binary systems has been investigated in previous works; however, this is the first time that GCA-EoS was shown to be able to represent the transformation between types of phase behavior as the length of the alkyl chain increases. The model was tested against an experimental database covering C3−C36 alkanes, temperatures from 210 to 660 K, and pressures up to 400 bar. The wide range of conditions and the parametrization strategy are keys to develop a robust thermodynamic tool forpredicting multiphase behavior.
Fil: Gonzalez Prieto, Mariana. 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: Sánchez, Francisco Adrián. 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: Pereda, Selva. 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
description The Group Contribution with Association Equation of State (GCA-EoS) has been successfully applied to represent the global phase behavior of carbon dioxide mixtures with alkanes. Using a single set of parameters, the model is able to predict vapor−liquid and liquid−liquid equilibria of binary mixtures not included in the parametrization procedure. Special emphasis was set on describing the transformation between types of fluid phase behavior to reduce the jeopardy of predicting incorrect liquid split. This family of binary systems has been investigated in previous works; however, this is the first time that GCA-EoS was shown to be able to represent the transformation between types of phase behavior as the length of the alkyl chain increases. The model was tested against an experimental database covering C3−C36 alkanes, temperatures from 210 to 660 K, and pressures up to 400 bar. The wide range of conditions and the parametrization strategy are keys to develop a robust thermodynamic tool forpredicting multiphase behavior.
publishDate 2015
dc.date.none.fl_str_mv 2015-11-17
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/11336/26166
Gonzalez Prieto, Mariana; Sánchez, Francisco Adrián; Pereda, Selva; Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons; American Chemical Society; Industrial & Engineering Chemical Research; 54; 49; 17-11-2015; 12415-12427
0888-5885
1520-5045
CONICET Digital
CONICET
url http://hdl.handle.net/11336/26166
identifier_str_mv Gonzalez Prieto, Mariana; Sánchez, Francisco Adrián; Pereda, Selva; Multiphase equilibria modeling with GCA-EoS: Part I: Carbon dioxide with the homologous series of alkanes up to 36 carbons; American Chemical Society; Industrial & Engineering Chemical Research; 54; 49; 17-11-2015; 12415-12427
0888-5885
1520-5045
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/acs.iecr.5b03269
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.iecr.5b03269
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
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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
_version_ 1844614371651616768
score 13.070432

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