A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria

Autores
Pisoni, Gerardo Oscar; Rodriguez Reartes, Sabrina Belen; Ramello, Juan Ignacio; Cismondi Duarte, Martín; Zabaloy, Marcelo Santiago
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Models of the equation of state (EOS) type, used for describing fluid phase equilibria, typically assume that the system behavior can be described from binary contributions only. This is not enough for obtaining good predictions for the high-pressure phase equilibria of ternary highly non ideal systems. On the other hand, cubic mixing rules (CMRs) provide both, binary and ternary interaction parameters. Such ternary parameters have the potential of improving the reproduction of ternary experimental data while leaving invariant the description of the three constituent binary subsystems. In this work, we evaluate the possibilities of the CMRs approach for ternary systems by studying the phase equilibria of two of them, i.e., CO2 + n-hexadecane + 1,8-octanediol and CO2 + H2O + 2-propanol. For the system CO2 + n-hexadecane + 1,8-octanediol we have available both, experimental isothermal binary and ternary phase equilibrium data. For such system, we investigate the influence of the ternary parameters on the size of ternary two-phase and three-phase equilibrium regions, and compare it to that of the experimental data. We also consider predicted values of the ternary parameters, which we need when ternary experimental data are not available. For the system CO2 + H2O + 2-propanol, we examine the effect of the ternary interaction parameters on some calculated ternary univariant lines, ternary invariant points and ternary three-phase equilibria, over wide ranges of conditions.
Fil: Pisoni, Gerardo Oscar. 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: Rodriguez Reartes, Sabrina Belen. 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: Ramello, Juan Ignacio. 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: Cismondi Duarte, Martín. Universidad Nacional de Córdoba. Facultad de Cs.exactas Físicas y Naturales. Departamento de Química Industrial y Aplicada; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Zabaloy, Marcelo Santiago. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnológico Bahia Blanca. Planta Piloto de Ingenieria Quimica (i). Grupo Vinculado Al Plapiqui - Investigación y Desarrollo En Tecnologia Quimica; Argentina
Materia
High Pressure
Ternary Systems
Ternary Interaction Parameters
Phase Equilibria
Equation of State
Cubic 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:11336/24780
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/24780
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibriaPisoni, Gerardo OscarRodriguez Reartes, Sabrina BelenRamello, Juan IgnacioCismondi Duarte, MartínZabaloy, Marcelo SantiagoHigh PressureTernary SystemsTernary Interaction ParametersPhase EquilibriaEquation of StateCubic Mixing Ruleshttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2Models of the equation of state (EOS) type, used for describing fluid phase equilibria, typically assume that the system behavior can be described from binary contributions only. This is not enough for obtaining good predictions for the high-pressure phase equilibria of ternary highly non ideal systems. On the other hand, cubic mixing rules (CMRs) provide both, binary and ternary interaction parameters. Such ternary parameters have the potential of improving the reproduction of ternary experimental data while leaving invariant the description of the three constituent binary subsystems. In this work, we evaluate the possibilities of the CMRs approach for ternary systems by studying the phase equilibria of two of them, i.e., CO2 + n-hexadecane + 1,8-octanediol and CO2 + H2O + 2-propanol. For the system CO2 + n-hexadecane + 1,8-octanediol we have available both, experimental isothermal binary and ternary phase equilibrium data. For such system, we investigate the influence of the ternary parameters on the size of ternary two-phase and three-phase equilibrium regions, and compare it to that of the experimental data. We also consider predicted values of the ternary parameters, which we need when ternary experimental data are not available. For the system CO2 + H2O + 2-propanol, we examine the effect of the ternary interaction parameters on some calculated ternary univariant lines, ternary invariant points and ternary three-phase equilibria, over wide ranges of conditions.Fil: Pisoni, Gerardo Oscar. 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: Rodriguez Reartes, Sabrina Belen. 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: Ramello, Juan Ignacio. 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: Cismondi Duarte, Martín. Universidad Nacional de Córdoba. Facultad de Cs.exactas Físicas y Naturales. Departamento de Química Industrial y Aplicada; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Zabaloy, Marcelo Santiago. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnológico Bahia Blanca. Planta Piloto de Ingenieria Quimica (i). Grupo Vinculado Al Plapiqui - Investigación y Desarrollo En Tecnologia Quimica; ArgentinaElsevier Science2015-01-14info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/24780Pisoni, Gerardo Oscar; Rodriguez Reartes, Sabrina Belen; Ramello, Juan Ignacio; Cismondi Duarte, Martín; Zabaloy, Marcelo Santiago; A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria; Elsevier Science; Fluid Phase Equilibria; 391; 14-1-2015; 54-660378-3812CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0378381215000242info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2015.01.020info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:36:57Zoai:ri.conicet.gov.ar:11336/24780instacron: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 11:36:58.138CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria
title A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria
spellingShingle A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria
Pisoni, Gerardo Oscar
High Pressure
Ternary Systems
Ternary Interaction Parameters
Phase Equilibria
Equation of State
Cubic Mixing Rules
title_short A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria
title_full A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria
title_fullStr A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria
title_full_unstemmed A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria
title_sort A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria
dc.creator.none.fl_str_mv Pisoni, Gerardo Oscar
Rodriguez Reartes, Sabrina Belen
Ramello, Juan Ignacio
Cismondi Duarte, Martín
Zabaloy, Marcelo Santiago
author Pisoni, Gerardo Oscar
author_facet Pisoni, Gerardo Oscar
Rodriguez Reartes, Sabrina Belen
Ramello, Juan Ignacio
Cismondi Duarte, Martín
Zabaloy, Marcelo Santiago
author_role author
author2 Rodriguez Reartes, Sabrina Belen
Ramello, Juan Ignacio
Cismondi Duarte, Martín
Zabaloy, Marcelo Santiago
author2_role author
author
author
author
dc.subject.none.fl_str_mv High Pressure
Ternary Systems
Ternary Interaction Parameters
Phase Equilibria
Equation of State
Cubic Mixing Rules
topic High Pressure
Ternary Systems
Ternary Interaction Parameters
Phase Equilibria
Equation of State
Cubic 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 Models of the equation of state (EOS) type, used for describing fluid phase equilibria, typically assume that the system behavior can be described from binary contributions only. This is not enough for obtaining good predictions for the high-pressure phase equilibria of ternary highly non ideal systems. On the other hand, cubic mixing rules (CMRs) provide both, binary and ternary interaction parameters. Such ternary parameters have the potential of improving the reproduction of ternary experimental data while leaving invariant the description of the three constituent binary subsystems. In this work, we evaluate the possibilities of the CMRs approach for ternary systems by studying the phase equilibria of two of them, i.e., CO2 + n-hexadecane + 1,8-octanediol and CO2 + H2O + 2-propanol. For the system CO2 + n-hexadecane + 1,8-octanediol we have available both, experimental isothermal binary and ternary phase equilibrium data. For such system, we investigate the influence of the ternary parameters on the size of ternary two-phase and three-phase equilibrium regions, and compare it to that of the experimental data. We also consider predicted values of the ternary parameters, which we need when ternary experimental data are not available. For the system CO2 + H2O + 2-propanol, we examine the effect of the ternary interaction parameters on some calculated ternary univariant lines, ternary invariant points and ternary three-phase equilibria, over wide ranges of conditions.
Fil: Pisoni, Gerardo Oscar. 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: Rodriguez Reartes, Sabrina Belen. 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: Ramello, Juan Ignacio. 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: Cismondi Duarte, Martín. Universidad Nacional de Córdoba. Facultad de Cs.exactas Físicas y Naturales. Departamento de Química Industrial y Aplicada; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Zabaloy, Marcelo Santiago. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Centro Cientifico Tecnológico Bahia Blanca. Planta Piloto de Ingenieria Quimica (i). Grupo Vinculado Al Plapiqui - Investigación y Desarrollo En Tecnologia Quimica; Argentina
description Models of the equation of state (EOS) type, used for describing fluid phase equilibria, typically assume that the system behavior can be described from binary contributions only. This is not enough for obtaining good predictions for the high-pressure phase equilibria of ternary highly non ideal systems. On the other hand, cubic mixing rules (CMRs) provide both, binary and ternary interaction parameters. Such ternary parameters have the potential of improving the reproduction of ternary experimental data while leaving invariant the description of the three constituent binary subsystems. In this work, we evaluate the possibilities of the CMRs approach for ternary systems by studying the phase equilibria of two of them, i.e., CO2 + n-hexadecane + 1,8-octanediol and CO2 + H2O + 2-propanol. For the system CO2 + n-hexadecane + 1,8-octanediol we have available both, experimental isothermal binary and ternary phase equilibrium data. For such system, we investigate the influence of the ternary parameters on the size of ternary two-phase and three-phase equilibrium regions, and compare it to that of the experimental data. We also consider predicted values of the ternary parameters, which we need when ternary experimental data are not available. For the system CO2 + H2O + 2-propanol, we examine the effect of the ternary interaction parameters on some calculated ternary univariant lines, ternary invariant points and ternary three-phase equilibria, over wide ranges of conditions.
publishDate 2015
dc.date.none.fl_str_mv 2015-01-14
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/11336/24780
Pisoni, Gerardo Oscar; Rodriguez Reartes, Sabrina Belen; Ramello, Juan Ignacio; Cismondi Duarte, Martín; Zabaloy, Marcelo Santiago; A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria; Elsevier Science; Fluid Phase Equilibria; 391; 14-1-2015; 54-66
0378-3812
CONICET Digital
CONICET
url http://hdl.handle.net/11336/24780
identifier_str_mv Pisoni, Gerardo Oscar; Rodriguez Reartes, Sabrina Belen; Ramello, Juan Ignacio; Cismondi Duarte, Martín; Zabaloy, Marcelo Santiago; A study on the effect of ternary interaction parameters on the equation of state description of ternary fluid phase equilibria; Elsevier Science; Fluid Phase Equilibria; 391; 14-1-2015; 54-66
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/http://www.sciencedirect.com/science/article/pii/S0378381215000242
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2015.01.020
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
application/pdf
application/pdf
application/pdf
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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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