Generation of characteristic maps of the fluid phase behavior of ternary systems

Autores
Pisoni, Gerardo Oscar; Cismondi Duarte, Martín; Cardozo Filho, Lucio; Zabaloy, Marcelo Santiago
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The main features of the fluid phase behavior of a given binary system can be grasped at a glance by looking at its (binary) characteristic map (B-CM), which is made of unary and binary univariant lines, i.e., by geometrical objects having only one degree of freedom. Binary univariant lines are critical and azeotropic lines and liquid–liquid–vapor equilibrium lines. These lines are customary shown in the pressure–temperature plane together with the pure-compound vapor–liquid equilibrium lines (unary lines). Similarly, ternary systems also have characteristic maps for their phase equilibrium behavior. Such ternary characteristic maps (T-CMs) are made of unary, binary and ternary univariant lines. Possible ternary univariant lines are the following: ternary four-phase equilibrium lines (T-4PLs), ternary critical end lines (T-CELs) and ternary homogeneous azeotropy lines (T-ALs). T-CMs also present invariant points as the following: pure compound critical points, binary critical endpoints (B-CEPs), ternary critical endpoints of four-phase equilibrium lines (T-CEP-4PLs), ternary tricritical endpoints (T-TCEP), and all possible endpoints of binary and ternary homogeneous azeotropy lines. Analogously to B-CMs for binary systems, T-CMs make possible to quickly identify the main features of the phase behavior of a given ternary system. In other words, T-CMs provide key information on the fluid phase equilibria of ternary systems. When dealing with models for the fluid phase behavior of ternary systems, it would be useful to generate the T-CMs, in a way as automated as possible, once a ternary system and a model are chosen, and the model parameter values are set. This would make possible, among other outcomes, to quickly evaluate the main features of the model performance. B-CMs can be efficiently generated, when using a model of the equation of state (EOS) type, by applying available algorithms. In this work we show how the univariant lines of T-CMs can be efficiently computed for a given ternary system, given EOS and EOS parameter values. In general, a ternary univariant line (T-UVL) is generated in this work by using a numerical continuation method (NCM). NCMs are able to build, in their full extent, highly non linear T-UVLs, with minimum user intervention. In particular, we describe in this work how T-TCEPs and T-CEP-4PLs are detected and computed, and how the calculation of T-4PLs is started off. Finally, an algorithm for the generation of computed T-CMs is presented. The algorithm relies on previously computed critical endpoints of the binary subsystems of the ternary system under study. We have not considered yet the detection and computation of T-ALs and of closed loop T-CELs. We provide examples of T-CMs computed over wide ranges of conditions. The results of this work show that relatively simple models can generate highly complex topologies for the phase behavior of ternary systems.
Fil: Pisoni, Gerardo Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina. 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
Fil: Cismondi Duarte, Martín. 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. Universidad Nacional de Córdoba; Argentina
Fil: Cardozo Filho, Lucio. Universidade Estadual de Maringá; Brasil
Fil: Zabaloy, Marcelo Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina
Materia
Phase Equilibrium
Equation of State Models
Ternary Characteristic Maps
Ternary Critical End Lines
Ternary Four-Phase Lines
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:11336/15319

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network_name_str CONICET Digital (CONICET)
spelling Generation of characteristic maps of the fluid phase behavior of ternary systemsPisoni, Gerardo OscarCismondi Duarte, MartínCardozo Filho, LucioZabaloy, Marcelo SantiagoPhase EquilibriumEquation of State ModelsTernary Characteristic MapsTernary Critical End LinesTernary Four-Phase Lineshttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2The main features of the fluid phase behavior of a given binary system can be grasped at a glance by looking at its (binary) characteristic map (B-CM), which is made of unary and binary univariant lines, i.e., by geometrical objects having only one degree of freedom. Binary univariant lines are critical and azeotropic lines and liquid–liquid–vapor equilibrium lines. These lines are customary shown in the pressure–temperature plane together with the pure-compound vapor–liquid equilibrium lines (unary lines). Similarly, ternary systems also have characteristic maps for their phase equilibrium behavior. Such ternary characteristic maps (T-CMs) are made of unary, binary and ternary univariant lines. Possible ternary univariant lines are the following: ternary four-phase equilibrium lines (T-4PLs), ternary critical end lines (T-CELs) and ternary homogeneous azeotropy lines (T-ALs). T-CMs also present invariant points as the following: pure compound critical points, binary critical endpoints (B-CEPs), ternary critical endpoints of four-phase equilibrium lines (T-CEP-4PLs), ternary tricritical endpoints (T-TCEP), and all possible endpoints of binary and ternary homogeneous azeotropy lines. Analogously to B-CMs for binary systems, T-CMs make possible to quickly identify the main features of the phase behavior of a given ternary system. In other words, T-CMs provide key information on the fluid phase equilibria of ternary systems. When dealing with models for the fluid phase behavior of ternary systems, it would be useful to generate the T-CMs, in a way as automated as possible, once a ternary system and a model are chosen, and the model parameter values are set. This would make possible, among other outcomes, to quickly evaluate the main features of the model performance. B-CMs can be efficiently generated, when using a model of the equation of state (EOS) type, by applying available algorithms. In this work we show how the univariant lines of T-CMs can be efficiently computed for a given ternary system, given EOS and EOS parameter values. In general, a ternary univariant line (T-UVL) is generated in this work by using a numerical continuation method (NCM). NCMs are able to build, in their full extent, highly non linear T-UVLs, with minimum user intervention. In particular, we describe in this work how T-TCEPs and T-CEP-4PLs are detected and computed, and how the calculation of T-4PLs is started off. Finally, an algorithm for the generation of computed T-CMs is presented. The algorithm relies on previously computed critical endpoints of the binary subsystems of the ternary system under study. We have not considered yet the detection and computation of T-ALs and of closed loop T-CELs. We provide examples of T-CMs computed over wide ranges of conditions. The results of this work show that relatively simple models can generate highly complex topologies for the phase behavior of ternary systems.Fil: Pisoni, Gerardo Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina. 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; ArgentinaFil: Cismondi Duarte, Martín. 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. Universidad Nacional de Córdoba; ArgentinaFil: Cardozo Filho, Lucio. Universidade Estadual de Maringá; BrasilFil: Zabaloy, Marcelo Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); ArgentinaElsevier Science2013-07info: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/pdfhttp://hdl.handle.net/11336/15319Pisoni, Gerardo Oscar; Cismondi Duarte, Martín; Cardozo Filho, Lucio; Zabaloy, Marcelo Santiago; Generation of characteristic maps of the fluid phase behavior of ternary systems; Elsevier Science; Fluid Phase Equilibria; 362; 7-2013; 213-2260378-3812enginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0378381213005943info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2013.10.010info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:37:46Zoai:ri.conicet.gov.ar:11336/15319instacron: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 10:37:47.081CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Generation of characteristic maps of the fluid phase behavior of ternary systems
title Generation of characteristic maps of the fluid phase behavior of ternary systems
spellingShingle Generation of characteristic maps of the fluid phase behavior of ternary systems
Pisoni, Gerardo Oscar
Phase Equilibrium
Equation of State Models
Ternary Characteristic Maps
Ternary Critical End Lines
Ternary Four-Phase Lines
title_short Generation of characteristic maps of the fluid phase behavior of ternary systems
title_full Generation of characteristic maps of the fluid phase behavior of ternary systems
title_fullStr Generation of characteristic maps of the fluid phase behavior of ternary systems
title_full_unstemmed Generation of characteristic maps of the fluid phase behavior of ternary systems
title_sort Generation of characteristic maps of the fluid phase behavior of ternary systems
dc.creator.none.fl_str_mv Pisoni, Gerardo Oscar
Cismondi Duarte, Martín
Cardozo Filho, Lucio
Zabaloy, Marcelo Santiago
author Pisoni, Gerardo Oscar
author_facet Pisoni, Gerardo Oscar
Cismondi Duarte, Martín
Cardozo Filho, Lucio
Zabaloy, Marcelo Santiago
author_role author
author2 Cismondi Duarte, Martín
Cardozo Filho, Lucio
Zabaloy, Marcelo Santiago
author2_role author
author
author
dc.subject.none.fl_str_mv Phase Equilibrium
Equation of State Models
Ternary Characteristic Maps
Ternary Critical End Lines
Ternary Four-Phase Lines
topic Phase Equilibrium
Equation of State Models
Ternary Characteristic Maps
Ternary Critical End Lines
Ternary Four-Phase Lines
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 main features of the fluid phase behavior of a given binary system can be grasped at a glance by looking at its (binary) characteristic map (B-CM), which is made of unary and binary univariant lines, i.e., by geometrical objects having only one degree of freedom. Binary univariant lines are critical and azeotropic lines and liquid–liquid–vapor equilibrium lines. These lines are customary shown in the pressure–temperature plane together with the pure-compound vapor–liquid equilibrium lines (unary lines). Similarly, ternary systems also have characteristic maps for their phase equilibrium behavior. Such ternary characteristic maps (T-CMs) are made of unary, binary and ternary univariant lines. Possible ternary univariant lines are the following: ternary four-phase equilibrium lines (T-4PLs), ternary critical end lines (T-CELs) and ternary homogeneous azeotropy lines (T-ALs). T-CMs also present invariant points as the following: pure compound critical points, binary critical endpoints (B-CEPs), ternary critical endpoints of four-phase equilibrium lines (T-CEP-4PLs), ternary tricritical endpoints (T-TCEP), and all possible endpoints of binary and ternary homogeneous azeotropy lines. Analogously to B-CMs for binary systems, T-CMs make possible to quickly identify the main features of the phase behavior of a given ternary system. In other words, T-CMs provide key information on the fluid phase equilibria of ternary systems. When dealing with models for the fluid phase behavior of ternary systems, it would be useful to generate the T-CMs, in a way as automated as possible, once a ternary system and a model are chosen, and the model parameter values are set. This would make possible, among other outcomes, to quickly evaluate the main features of the model performance. B-CMs can be efficiently generated, when using a model of the equation of state (EOS) type, by applying available algorithms. In this work we show how the univariant lines of T-CMs can be efficiently computed for a given ternary system, given EOS and EOS parameter values. In general, a ternary univariant line (T-UVL) is generated in this work by using a numerical continuation method (NCM). NCMs are able to build, in their full extent, highly non linear T-UVLs, with minimum user intervention. In particular, we describe in this work how T-TCEPs and T-CEP-4PLs are detected and computed, and how the calculation of T-4PLs is started off. Finally, an algorithm for the generation of computed T-CMs is presented. The algorithm relies on previously computed critical endpoints of the binary subsystems of the ternary system under study. We have not considered yet the detection and computation of T-ALs and of closed loop T-CELs. We provide examples of T-CMs computed over wide ranges of conditions. The results of this work show that relatively simple models can generate highly complex topologies for the phase behavior of ternary systems.
Fil: Pisoni, Gerardo Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina. 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
Fil: Cismondi Duarte, Martín. 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. Universidad Nacional de Córdoba; Argentina
Fil: Cardozo Filho, Lucio. Universidade Estadual de Maringá; Brasil
Fil: Zabaloy, Marcelo Santiago. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Planta Piloto de Ingeniería Química (i); Argentina
description The main features of the fluid phase behavior of a given binary system can be grasped at a glance by looking at its (binary) characteristic map (B-CM), which is made of unary and binary univariant lines, i.e., by geometrical objects having only one degree of freedom. Binary univariant lines are critical and azeotropic lines and liquid–liquid–vapor equilibrium lines. These lines are customary shown in the pressure–temperature plane together with the pure-compound vapor–liquid equilibrium lines (unary lines). Similarly, ternary systems also have characteristic maps for their phase equilibrium behavior. Such ternary characteristic maps (T-CMs) are made of unary, binary and ternary univariant lines. Possible ternary univariant lines are the following: ternary four-phase equilibrium lines (T-4PLs), ternary critical end lines (T-CELs) and ternary homogeneous azeotropy lines (T-ALs). T-CMs also present invariant points as the following: pure compound critical points, binary critical endpoints (B-CEPs), ternary critical endpoints of four-phase equilibrium lines (T-CEP-4PLs), ternary tricritical endpoints (T-TCEP), and all possible endpoints of binary and ternary homogeneous azeotropy lines. Analogously to B-CMs for binary systems, T-CMs make possible to quickly identify the main features of the phase behavior of a given ternary system. In other words, T-CMs provide key information on the fluid phase equilibria of ternary systems. When dealing with models for the fluid phase behavior of ternary systems, it would be useful to generate the T-CMs, in a way as automated as possible, once a ternary system and a model are chosen, and the model parameter values are set. This would make possible, among other outcomes, to quickly evaluate the main features of the model performance. B-CMs can be efficiently generated, when using a model of the equation of state (EOS) type, by applying available algorithms. In this work we show how the univariant lines of T-CMs can be efficiently computed for a given ternary system, given EOS and EOS parameter values. In general, a ternary univariant line (T-UVL) is generated in this work by using a numerical continuation method (NCM). NCMs are able to build, in their full extent, highly non linear T-UVLs, with minimum user intervention. In particular, we describe in this work how T-TCEPs and T-CEP-4PLs are detected and computed, and how the calculation of T-4PLs is started off. Finally, an algorithm for the generation of computed T-CMs is presented. The algorithm relies on previously computed critical endpoints of the binary subsystems of the ternary system under study. We have not considered yet the detection and computation of T-ALs and of closed loop T-CELs. We provide examples of T-CMs computed over wide ranges of conditions. The results of this work show that relatively simple models can generate highly complex topologies for the phase behavior of ternary systems.
publishDate 2013
dc.date.none.fl_str_mv 2013-07
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
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info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/15319
Pisoni, Gerardo Oscar; Cismondi Duarte, Martín; Cardozo Filho, Lucio; Zabaloy, Marcelo Santiago; Generation of characteristic maps of the fluid phase behavior of ternary systems; Elsevier Science; Fluid Phase Equilibria; 362; 7-2013; 213-226
0378-3812
url http://hdl.handle.net/11336/15319
identifier_str_mv Pisoni, Gerardo Oscar; Cismondi Duarte, Martín; Cardozo Filho, Lucio; Zabaloy, Marcelo Santiago; Generation of characteristic maps of the fluid phase behavior of ternary systems; Elsevier Science; Fluid Phase Equilibria; 362; 7-2013; 213-226
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/S0378381213005943
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2013.10.010
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
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eu_rights_str_mv openAccess
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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)
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instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
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repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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