Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series

Autores
Espinosa, Susana; Raeissi, S.; Brignole, Esteban Alberto; Peters, Cornelis J.
Año de publicación
2004
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The phenomenon of double retrograde vaporization (DRV) has been simulated using the group contribution equation of state coupled with the Michelsen computational procedures for calculating phase envelopes. This behavior was studied for a number of binary mixtures of near critical fluids with a low volatile component. For the binary systems ethane+limonene, ethane+linalool, methane+butane, and methane+pentane the "double-domed" and "S" shaped curves were successfully predicted and found to be in good agreement with the experimental information available. Prediction of DRV in a number of binary systems from different families further confirmed the idea of the generality of this behavior in all asymmetric mixtures. All results indicate that as the solute increases in molecular size, the composition at which the phenomenon of DRV starts to appear shifts to higher solvent concentration, while simultaneously covering a wider composition range. For the homologous n-alkane series in binary mixtures with C1 up to C5 as near-critical solvents, a correlation in the appearance of the phenomenon of DRV with the hard-sphere diameter of the solvent was observed. Although for each solvent, the lower limit of solute carbon number that shows DRV is easily estimated, the upper carbon number could not always be determined because the occurrence of liquid-liquid immiscibility interferes with the DRV phenomenon. In binary mixtures of CO2 with homologous members of alkyl esters, no liquid-liquid immiscibility was predicted, so it was possible to determine both the lower and upper concentration bounds of DRV.
Fil: Espinosa, Susana. 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: Raeissi, S.. Delft University of Technology; Países Bajos
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: Peters, Cornelis J.. Delft University of Technology; Países Bajos
Materia
ALKANES
DILUTE
GROUP CONTRIBUTION
PHASE BEHAVIOR
RETROGRADE CONDENSATION
SIMULATION
SUPERCRITICAL
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:11336/97829
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/97829
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous seriesEspinosa, SusanaRaeissi, S.Brignole, Esteban AlbertoPeters, Cornelis J.ALKANESDILUTEGROUP CONTRIBUTIONPHASE BEHAVIORRETROGRADE CONDENSATIONSIMULATIONSUPERCRITICALhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2The phenomenon of double retrograde vaporization (DRV) has been simulated using the group contribution equation of state coupled with the Michelsen computational procedures for calculating phase envelopes. This behavior was studied for a number of binary mixtures of near critical fluids with a low volatile component. For the binary systems ethane+limonene, ethane+linalool, methane+butane, and methane+pentane the "double-domed" and "S" shaped curves were successfully predicted and found to be in good agreement with the experimental information available. Prediction of DRV in a number of binary systems from different families further confirmed the idea of the generality of this behavior in all asymmetric mixtures. All results indicate that as the solute increases in molecular size, the composition at which the phenomenon of DRV starts to appear shifts to higher solvent concentration, while simultaneously covering a wider composition range. For the homologous n-alkane series in binary mixtures with C1 up to C5 as near-critical solvents, a correlation in the appearance of the phenomenon of DRV with the hard-sphere diameter of the solvent was observed. Although for each solvent, the lower limit of solute carbon number that shows DRV is easily estimated, the upper carbon number could not always be determined because the occurrence of liquid-liquid immiscibility interferes with the DRV phenomenon. In binary mixtures of CO2 with homologous members of alkyl esters, no liquid-liquid immiscibility was predicted, so it was possible to determine both the lower and upper concentration bounds of DRV.Fil: Espinosa, Susana. 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: Raeissi, S.. Delft University of Technology; Países BajosFil: 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: Peters, Cornelis J.. Delft University of Technology; Países BajosElsevier Science2004-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/97829Espinosa, Susana; Raeissi, S.; Brignole, Esteban Alberto; Peters, Cornelis J.; Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series; Elsevier Science; Journal of Supercritical Fluids; 32; 1-3; 12-2004; 63-710896-8446CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0896844604000221info:eu-repo/semantics/altIdentifier/doi/10.1016/j.supflu.2004.01.008info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:39:14Zoai:ri.conicet.gov.ar:11336/97829instacron: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 11:39:14.36CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series
title Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series
spellingShingle Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series
Espinosa, Susana
ALKANES
DILUTE
GROUP CONTRIBUTION
PHASE BEHAVIOR
RETROGRADE CONDENSATION
SIMULATION
SUPERCRITICAL
title_short Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series
title_full Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series
title_fullStr Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series
title_full_unstemmed Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series
title_sort Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series
dc.creator.none.fl_str_mv Espinosa, Susana
Raeissi, S.
Brignole, Esteban Alberto
Peters, Cornelis J.
author Espinosa, Susana
author_facet Espinosa, Susana
Raeissi, S.
Brignole, Esteban Alberto
Peters, Cornelis J.
author_role author
author2 Raeissi, S.
Brignole, Esteban Alberto
Peters, Cornelis J.
author2_role author
author
author
dc.subject.none.fl_str_mv ALKANES
DILUTE
GROUP CONTRIBUTION
PHASE BEHAVIOR
RETROGRADE CONDENSATION
SIMULATION
SUPERCRITICAL
topic ALKANES
DILUTE
GROUP CONTRIBUTION
PHASE BEHAVIOR
RETROGRADE CONDENSATION
SIMULATION
SUPERCRITICAL
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 phenomenon of double retrograde vaporization (DRV) has been simulated using the group contribution equation of state coupled with the Michelsen computational procedures for calculating phase envelopes. This behavior was studied for a number of binary mixtures of near critical fluids with a low volatile component. For the binary systems ethane+limonene, ethane+linalool, methane+butane, and methane+pentane the "double-domed" and "S" shaped curves were successfully predicted and found to be in good agreement with the experimental information available. Prediction of DRV in a number of binary systems from different families further confirmed the idea of the generality of this behavior in all asymmetric mixtures. All results indicate that as the solute increases in molecular size, the composition at which the phenomenon of DRV starts to appear shifts to higher solvent concentration, while simultaneously covering a wider composition range. For the homologous n-alkane series in binary mixtures with C1 up to C5 as near-critical solvents, a correlation in the appearance of the phenomenon of DRV with the hard-sphere diameter of the solvent was observed. Although for each solvent, the lower limit of solute carbon number that shows DRV is easily estimated, the upper carbon number could not always be determined because the occurrence of liquid-liquid immiscibility interferes with the DRV phenomenon. In binary mixtures of CO2 with homologous members of alkyl esters, no liquid-liquid immiscibility was predicted, so it was possible to determine both the lower and upper concentration bounds of DRV.
Fil: Espinosa, Susana. 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: Raeissi, S.. Delft University of Technology; Países Bajos
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: Peters, Cornelis J.. Delft University of Technology; Países Bajos
description The phenomenon of double retrograde vaporization (DRV) has been simulated using the group contribution equation of state coupled with the Michelsen computational procedures for calculating phase envelopes. This behavior was studied for a number of binary mixtures of near critical fluids with a low volatile component. For the binary systems ethane+limonene, ethane+linalool, methane+butane, and methane+pentane the "double-domed" and "S" shaped curves were successfully predicted and found to be in good agreement with the experimental information available. Prediction of DRV in a number of binary systems from different families further confirmed the idea of the generality of this behavior in all asymmetric mixtures. All results indicate that as the solute increases in molecular size, the composition at which the phenomenon of DRV starts to appear shifts to higher solvent concentration, while simultaneously covering a wider composition range. For the homologous n-alkane series in binary mixtures with C1 up to C5 as near-critical solvents, a correlation in the appearance of the phenomenon of DRV with the hard-sphere diameter of the solvent was observed. Although for each solvent, the lower limit of solute carbon number that shows DRV is easily estimated, the upper carbon number could not always be determined because the occurrence of liquid-liquid immiscibility interferes with the DRV phenomenon. In binary mixtures of CO2 with homologous members of alkyl esters, no liquid-liquid immiscibility was predicted, so it was possible to determine both the lower and upper concentration bounds of DRV.
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/11336/97829
Espinosa, Susana; Raeissi, S.; Brignole, Esteban Alberto; Peters, Cornelis J.; Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series; Elsevier Science; Journal of Supercritical Fluids; 32; 1-3; 12-2004; 63-71
0896-8446
CONICET Digital
CONICET
url http://hdl.handle.net/11336/97829
identifier_str_mv Espinosa, Susana; Raeissi, S.; Brignole, Esteban Alberto; Peters, Cornelis J.; Prediction of double retrograde vaporization: Transitions in binary mixtures of near critical fluids with components of homologous series; Elsevier Science; Journal of Supercritical Fluids; 32; 1-3; 12-2004; 63-71
0896-8446
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0896844604000221
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.supflu.2004.01.008
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 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 12.982451

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