Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures

Autores
Lopez Jimenez, Jimmy Andres; Trejos, Victor M.; Cardona, Carlos A.
Año de publicación
2006
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Five different objective functions were studied with the purpose of analyzing their performance for parameters estimation of vapor-liquid equilibrium models for a series of 13 non-polar and 13 polar asymmetric binary mixtures at high pressures. Peng-Robinson equation of state coupled with the Wong-Sandler mixing rules were used for modeling the VLE in all cases. The first two objective functions are based on the calculation of the distribution coefficients for each component in the mixture and the remaining objective functions involve additional calculations of other quantities such as the bubble point pressure. In general, the optimal parameters obtained from all objective functions showed a good prediction capacity of the behavior of the vapor phase. It is also demonstrated that a good prediction of the pressure depends on the form of the objective function. It was found that one objective function has slight advantages over the other analyzed objective functions: first, it does not involve additional iterative calculations as the bubble point or isothermal flash for each data point; second, the optimal second virial coefficient interaction parameter shows to be in concordance with the statistical thermodynamic postulates; and finally, VLE predictions using the optimal parameters obtained with the help of this objective function show very good representations of both the vapor phase and pressure.
Fil: Lopez Jimenez, Jimmy Andres. 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. Universidad Nacional de Colombia; Colombia
Fil: Trejos, Victor M.. Universidad Nacional de Colombia; Colombia
Fil: Cardona, Carlos A.. Universidad Nacional de Colombia; Colombia
Materia
Objective Function
Parameters Optimization
Peng-Robinson Equation of State
Vapor-Liquid Equilibrium
Wong-Sandler Mixing Rules
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:11336/79256
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/79256
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network_name_str CONICET Digital (CONICET)
spelling Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressuresLopez Jimenez, Jimmy AndresTrejos, Victor M.Cardona, Carlos A.Objective FunctionParameters OptimizationPeng-Robinson Equation of StateVapor-Liquid EquilibriumWong-Sandler Mixing Ruleshttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2Five different objective functions were studied with the purpose of analyzing their performance for parameters estimation of vapor-liquid equilibrium models for a series of 13 non-polar and 13 polar asymmetric binary mixtures at high pressures. Peng-Robinson equation of state coupled with the Wong-Sandler mixing rules were used for modeling the VLE in all cases. The first two objective functions are based on the calculation of the distribution coefficients for each component in the mixture and the remaining objective functions involve additional calculations of other quantities such as the bubble point pressure. In general, the optimal parameters obtained from all objective functions showed a good prediction capacity of the behavior of the vapor phase. It is also demonstrated that a good prediction of the pressure depends on the form of the objective function. It was found that one objective function has slight advantages over the other analyzed objective functions: first, it does not involve additional iterative calculations as the bubble point or isothermal flash for each data point; second, the optimal second virial coefficient interaction parameter shows to be in concordance with the statistical thermodynamic postulates; and finally, VLE predictions using the optimal parameters obtained with the help of this objective function show very good representations of both the vapor phase and pressure.Fil: Lopez Jimenez, Jimmy Andres. 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. Universidad Nacional de Colombia; ColombiaFil: Trejos, Victor M.. Universidad Nacional de Colombia; ColombiaFil: Cardona, Carlos A.. Universidad Nacional de Colombia; ColombiaElsevier Science2006-10-20info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/79256Lopez Jimenez, Jimmy Andres; Trejos, Victor M.; Cardona, Carlos A.; Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures; Elsevier Science; Fluid Phase Equilibria; 248; 2; 20-10-2006; 147-1570378-3812CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0378381206003414info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2006.08.003info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:43:21Zoai:ri.conicet.gov.ar:11336/79256instacron: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:34982025-09-03 09:43:22.038CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures
title Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures
spellingShingle Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures
Lopez Jimenez, Jimmy Andres
Objective Function
Parameters Optimization
Peng-Robinson Equation of State
Vapor-Liquid Equilibrium
Wong-Sandler Mixing Rules
title_short Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures
title_full Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures
title_fullStr Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures
title_full_unstemmed Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures
title_sort Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures
dc.creator.none.fl_str_mv Lopez Jimenez, Jimmy Andres
Trejos, Victor M.
Cardona, Carlos A.
author Lopez Jimenez, Jimmy Andres
author_facet Lopez Jimenez, Jimmy Andres
Trejos, Victor M.
Cardona, Carlos A.
author_role author
author2 Trejos, Victor M.
Cardona, Carlos A.
author2_role author
author
dc.subject.none.fl_str_mv Objective Function
Parameters Optimization
Peng-Robinson Equation of State
Vapor-Liquid Equilibrium
Wong-Sandler Mixing Rules
topic Objective Function
Parameters Optimization
Peng-Robinson Equation of State
Vapor-Liquid Equilibrium
Wong-Sandler Mixing Rules
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv Five different objective functions were studied with the purpose of analyzing their performance for parameters estimation of vapor-liquid equilibrium models for a series of 13 non-polar and 13 polar asymmetric binary mixtures at high pressures. Peng-Robinson equation of state coupled with the Wong-Sandler mixing rules were used for modeling the VLE in all cases. The first two objective functions are based on the calculation of the distribution coefficients for each component in the mixture and the remaining objective functions involve additional calculations of other quantities such as the bubble point pressure. In general, the optimal parameters obtained from all objective functions showed a good prediction capacity of the behavior of the vapor phase. It is also demonstrated that a good prediction of the pressure depends on the form of the objective function. It was found that one objective function has slight advantages over the other analyzed objective functions: first, it does not involve additional iterative calculations as the bubble point or isothermal flash for each data point; second, the optimal second virial coefficient interaction parameter shows to be in concordance with the statistical thermodynamic postulates; and finally, VLE predictions using the optimal parameters obtained with the help of this objective function show very good representations of both the vapor phase and pressure.
Fil: Lopez Jimenez, Jimmy Andres. 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. Universidad Nacional de Colombia; Colombia
Fil: Trejos, Victor M.. Universidad Nacional de Colombia; Colombia
Fil: Cardona, Carlos A.. Universidad Nacional de Colombia; Colombia
description Five different objective functions were studied with the purpose of analyzing their performance for parameters estimation of vapor-liquid equilibrium models for a series of 13 non-polar and 13 polar asymmetric binary mixtures at high pressures. Peng-Robinson equation of state coupled with the Wong-Sandler mixing rules were used for modeling the VLE in all cases. The first two objective functions are based on the calculation of the distribution coefficients for each component in the mixture and the remaining objective functions involve additional calculations of other quantities such as the bubble point pressure. In general, the optimal parameters obtained from all objective functions showed a good prediction capacity of the behavior of the vapor phase. It is also demonstrated that a good prediction of the pressure depends on the form of the objective function. It was found that one objective function has slight advantages over the other analyzed objective functions: first, it does not involve additional iterative calculations as the bubble point or isothermal flash for each data point; second, the optimal second virial coefficient interaction parameter shows to be in concordance with the statistical thermodynamic postulates; and finally, VLE predictions using the optimal parameters obtained with the help of this objective function show very good representations of both the vapor phase and pressure.
publishDate 2006
dc.date.none.fl_str_mv 2006-10-20
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/11336/79256
Lopez Jimenez, Jimmy Andres; Trejos, Victor M.; Cardona, Carlos A.; Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures; Elsevier Science; Fluid Phase Equilibria; 248; 2; 20-10-2006; 147-157
0378-3812
CONICET Digital
CONICET
url http://hdl.handle.net/11336/79256
identifier_str_mv Lopez Jimenez, Jimmy Andres; Trejos, Victor M.; Cardona, Carlos A.; Objective functions analysis in the minimization of binary VLE data for asymmetric mixtures at high pressures; Elsevier Science; Fluid Phase Equilibria; 248; 2; 20-10-2006; 147-157
0378-3812
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/S0378381206003414
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2006.08.003
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 13.13397

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