Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids

Autores
González, Emilio J.; Bottini, Susana Beatriz; Macedo, Eugénia Macedo
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work, the group contribution equation of state (GC-EoS) of Skjold-Jørgensen was used to model the phase behavior of mixtures of alkanes with different members of the homologous family 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, [x-Mpyr][NTf2] ionic liquids. Pure group parameters for the ionic liquid functional group (MpyrNTf2) and interaction parameters between this group and the paraffin main group (sub-groups CH3 and CH2) were obtained from activity coefficients at infinite dilution found in literature for binary mixture {alkane + [x-Mpyr][NTf2] ionic liquid}. The GC-EoS of Skjold-Jørgensen, extended with these new parameters, was applied to predict with satisfactory results the phase behavior of binary mixtures {alkane + [x-Mpyr][NTf2]}. In order to evaluate the GC-EoS performance in the prediction of liquid?liquid equilibria (LLE), experimental LLE data for binary mixtures {hexane, or heptane, or octane, or nonane, or decane +1-butyl-1-ethylpyrrolidinium bis(trifluoromethylsulfonyl) imide, [BMpyr][NTf2]} were determined from T = (293.15 to 333.15)K
Fil: González, Emilio J.. Universidad de Porto; Portugal
Fil: Bottini, Susana Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina. Universidad Nacional del Sur; Argentina
Fil: Macedo, Eugénia Macedo. Universidad de Porto; Portugal
Materia
1-Alkyl-1-Methylpyrrolidinium Bis (Trifluoromethylsulfonyl)Imide Ionic Liquids
Alkanes
Phase Behavior
Group-Contribution Equation of State
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/13463
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/13463
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquidsGonzález, Emilio J.Bottini, Susana BeatrizMacedo, Eugénia Macedo1-Alkyl-1-Methylpyrrolidinium Bis (Trifluoromethylsulfonyl)Imide Ionic LiquidsAlkanesPhase BehaviorGroup-Contribution Equation of Statehttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2In this work, the group contribution equation of state (GC-EoS) of Skjold-Jørgensen was used to model the phase behavior of mixtures of alkanes with different members of the homologous family 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, [x-Mpyr][NTf2] ionic liquids. Pure group parameters for the ionic liquid functional group (MpyrNTf2) and interaction parameters between this group and the paraffin main group (sub-groups CH3 and CH2) were obtained from activity coefficients at infinite dilution found in literature for binary mixture {alkane + [x-Mpyr][NTf2] ionic liquid}. The GC-EoS of Skjold-Jørgensen, extended with these new parameters, was applied to predict with satisfactory results the phase behavior of binary mixtures {alkane + [x-Mpyr][NTf2]}. In order to evaluate the GC-EoS performance in the prediction of liquid?liquid equilibria (LLE), experimental LLE data for binary mixtures {hexane, or heptane, or octane, or nonane, or decane +1-butyl-1-ethylpyrrolidinium bis(trifluoromethylsulfonyl) imide, [BMpyr][NTf2]} were determined from T = (293.15 to 333.15)KFil: González, Emilio J.. Universidad de Porto; PortugalFil: Bottini, Susana Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina. Universidad Nacional del Sur; ArgentinaFil: Macedo, Eugénia Macedo. Universidad de Porto; PortugalElsevier Science2015-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/13463González, Emilio J.; Bottini, Susana Beatriz; Macedo, Eugénia Macedo; Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids; Elsevier Science; Fluid Phase Equilibria; 387; 2-2015; 32-370378-3812enginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0378381214006918info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2014.12.010info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:19:56Zoai:ri.conicet.gov.ar:11336/13463instacron: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:34982025-09-10 13:19:56.483CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids
title Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids
spellingShingle Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids
González, Emilio J.
1-Alkyl-1-Methylpyrrolidinium Bis (Trifluoromethylsulfonyl)Imide Ionic Liquids
Alkanes
Phase Behavior
Group-Contribution Equation of State
title_short Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids
title_full Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids
title_fullStr Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids
title_full_unstemmed Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids
title_sort Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids
dc.creator.none.fl_str_mv González, Emilio J.
Bottini, Susana Beatriz
Macedo, Eugénia Macedo
author González, Emilio J.
author_facet González, Emilio J.
Bottini, Susana Beatriz
Macedo, Eugénia Macedo
author_role author
author2 Bottini, Susana Beatriz
Macedo, Eugénia Macedo
author2_role author
author
dc.subject.none.fl_str_mv 1-Alkyl-1-Methylpyrrolidinium Bis (Trifluoromethylsulfonyl)Imide Ionic Liquids
Alkanes
Phase Behavior
Group-Contribution Equation of State
topic 1-Alkyl-1-Methylpyrrolidinium Bis (Trifluoromethylsulfonyl)Imide Ionic Liquids
Alkanes
Phase Behavior
Group-Contribution Equation of State
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 this work, the group contribution equation of state (GC-EoS) of Skjold-Jørgensen was used to model the phase behavior of mixtures of alkanes with different members of the homologous family 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, [x-Mpyr][NTf2] ionic liquids. Pure group parameters for the ionic liquid functional group (MpyrNTf2) and interaction parameters between this group and the paraffin main group (sub-groups CH3 and CH2) were obtained from activity coefficients at infinite dilution found in literature for binary mixture {alkane + [x-Mpyr][NTf2] ionic liquid}. The GC-EoS of Skjold-Jørgensen, extended with these new parameters, was applied to predict with satisfactory results the phase behavior of binary mixtures {alkane + [x-Mpyr][NTf2]}. In order to evaluate the GC-EoS performance in the prediction of liquid?liquid equilibria (LLE), experimental LLE data for binary mixtures {hexane, or heptane, or octane, or nonane, or decane +1-butyl-1-ethylpyrrolidinium bis(trifluoromethylsulfonyl) imide, [BMpyr][NTf2]} were determined from T = (293.15 to 333.15)K
Fil: González, Emilio J.. Universidad de Porto; Portugal
Fil: Bottini, Susana Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina. Universidad Nacional del Sur; Argentina
Fil: Macedo, Eugénia Macedo. Universidad de Porto; Portugal
description In this work, the group contribution equation of state (GC-EoS) of Skjold-Jørgensen was used to model the phase behavior of mixtures of alkanes with different members of the homologous family 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, [x-Mpyr][NTf2] ionic liquids. Pure group parameters for the ionic liquid functional group (MpyrNTf2) and interaction parameters between this group and the paraffin main group (sub-groups CH3 and CH2) were obtained from activity coefficients at infinite dilution found in literature for binary mixture {alkane + [x-Mpyr][NTf2] ionic liquid}. The GC-EoS of Skjold-Jørgensen, extended with these new parameters, was applied to predict with satisfactory results the phase behavior of binary mixtures {alkane + [x-Mpyr][NTf2]}. In order to evaluate the GC-EoS performance in the prediction of liquid?liquid equilibria (LLE), experimental LLE data for binary mixtures {hexane, or heptane, or octane, or nonane, or decane +1-butyl-1-ethylpyrrolidinium bis(trifluoromethylsulfonyl) imide, [BMpyr][NTf2]} were determined from T = (293.15 to 333.15)K
publishDate 2015
dc.date.none.fl_str_mv 2015-02
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/11336/13463
González, Emilio J.; Bottini, Susana Beatriz; Macedo, Eugénia Macedo; Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids; Elsevier Science; Fluid Phase Equilibria; 387; 2-2015; 32-37
0378-3812
url http://hdl.handle.net/11336/13463
identifier_str_mv González, Emilio J.; Bottini, Susana Beatriz; Macedo, Eugénia Macedo; Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids; Elsevier Science; Fluid Phase Equilibria; 387; 2-2015; 32-37
0378-3812
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0378381214006918
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2014.12.010
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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 12.48226

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