Automated calculation of complete Pxy and Txy diagrams for binary systems

Autores
Cismondi Duarte, Martín; Michelsen, Michael
Año de publicación
2007
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
An algorithm for the calculation of global phase equilibrium diagrams has been recently developed [M. Cismondi, M.L. Michelsen, Global phase equilibrium calculations: critical lines, critical end points and liquid-liquid-vapour equilibrium in binary mixtures, J. Supercrit. Fluids 39 (2007) 287-295]. It integrates the calculation of critical lines, liquid-liquid-vapour (LLV) lines and critical end points, and was implemented in the software program GPEC: global phase equilibrium calculations [M. Cismondi, D.N. Nuñez, M.S. Zabaloy, E.A. Brignole, M.L. Michelsen, J.M. Mollerup, GPEC: a program for global phase equilibrium calculations in binary systems, in: Proceedings of the CD-ROM EQUIFASE 2006, Morelia, Michoacán, Mexico, October 21-25, 2006; www.gpec.plapiqui.edu.ar]. In this work we present the methods and computational strategy for the automated calculation of complete Pxy and Txy diagrams in binary systems. Being constructed from the points given by the global phase diagram at a specified temperature or pressure, their calculation does not require the implementation of stability analysis. We illustrate the application of the algorithm through a variety of Pxy and Txy diagrams generated using the RK-PR EOS.
Fil: Cismondi Duarte, Martín. 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: Michelsen, Michael. Technical University of Denmark; Dinamarca
Materia
Binary Systems
Calculation
Equations of State
Phase Diagrams
Pxy
Txy
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:11336/79070
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Automated calculation of complete Pxy and Txy diagrams for binary systemsCismondi Duarte, MartínMichelsen, MichaelBinary SystemsCalculationEquations of StatePhase DiagramsPxyTxyhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2An algorithm for the calculation of global phase equilibrium diagrams has been recently developed [M. Cismondi, M.L. Michelsen, Global phase equilibrium calculations: critical lines, critical end points and liquid-liquid-vapour equilibrium in binary mixtures, J. Supercrit. Fluids 39 (2007) 287-295]. It integrates the calculation of critical lines, liquid-liquid-vapour (LLV) lines and critical end points, and was implemented in the software program GPEC: global phase equilibrium calculations [M. Cismondi, D.N. Nuñez, M.S. Zabaloy, E.A. Brignole, M.L. Michelsen, J.M. Mollerup, GPEC: a program for global phase equilibrium calculations in binary systems, in: Proceedings of the CD-ROM EQUIFASE 2006, Morelia, Michoacán, Mexico, October 21-25, 2006; www.gpec.plapiqui.edu.ar]. In this work we present the methods and computational strategy for the automated calculation of complete Pxy and Txy diagrams in binary systems. Being constructed from the points given by the global phase diagram at a specified temperature or pressure, their calculation does not require the implementation of stability analysis. We illustrate the application of the algorithm through a variety of Pxy and Txy diagrams generated using the RK-PR EOS.Fil: Cismondi Duarte, Martín. 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: Michelsen, Michael. Technical University of Denmark; DinamarcaElsevier Science2007-10-15info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/79070Cismondi Duarte, Martín; Michelsen, Michael; Automated calculation of complete Pxy and Txy diagrams for binary systems; Elsevier Science; Fluid Phase Equilibria; 259; 2; 15-10-2007; 228-2340378-3812CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0378381207004001info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2007.07.019info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:14:14Zoai:ri.conicet.gov.ar:11336/79070instacron: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 11:14:14.891CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Automated calculation of complete Pxy and Txy diagrams for binary systems
title Automated calculation of complete Pxy and Txy diagrams for binary systems
spellingShingle Automated calculation of complete Pxy and Txy diagrams for binary systems
Cismondi Duarte, Martín
Binary Systems
Calculation
Equations of State
Phase Diagrams
Pxy
Txy
title_short Automated calculation of complete Pxy and Txy diagrams for binary systems
title_full Automated calculation of complete Pxy and Txy diagrams for binary systems
title_fullStr Automated calculation of complete Pxy and Txy diagrams for binary systems
title_full_unstemmed Automated calculation of complete Pxy and Txy diagrams for binary systems
title_sort Automated calculation of complete Pxy and Txy diagrams for binary systems
dc.creator.none.fl_str_mv Cismondi Duarte, Martín
Michelsen, Michael
author Cismondi Duarte, Martín
author_facet Cismondi Duarte, Martín
Michelsen, Michael
author_role author
author2 Michelsen, Michael
author2_role author
dc.subject.none.fl_str_mv Binary Systems
Calculation
Equations of State
Phase Diagrams
Pxy
Txy
topic Binary Systems
Calculation
Equations of State
Phase Diagrams
Pxy
Txy
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv An algorithm for the calculation of global phase equilibrium diagrams has been recently developed [M. Cismondi, M.L. Michelsen, Global phase equilibrium calculations: critical lines, critical end points and liquid-liquid-vapour equilibrium in binary mixtures, J. Supercrit. Fluids 39 (2007) 287-295]. It integrates the calculation of critical lines, liquid-liquid-vapour (LLV) lines and critical end points, and was implemented in the software program GPEC: global phase equilibrium calculations [M. Cismondi, D.N. Nuñez, M.S. Zabaloy, E.A. Brignole, M.L. Michelsen, J.M. Mollerup, GPEC: a program for global phase equilibrium calculations in binary systems, in: Proceedings of the CD-ROM EQUIFASE 2006, Morelia, Michoacán, Mexico, October 21-25, 2006; www.gpec.plapiqui.edu.ar]. In this work we present the methods and computational strategy for the automated calculation of complete Pxy and Txy diagrams in binary systems. Being constructed from the points given by the global phase diagram at a specified temperature or pressure, their calculation does not require the implementation of stability analysis. We illustrate the application of the algorithm through a variety of Pxy and Txy diagrams generated using the RK-PR EOS.
Fil: Cismondi Duarte, Martín. 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: Michelsen, Michael. Technical University of Denmark; Dinamarca
description An algorithm for the calculation of global phase equilibrium diagrams has been recently developed [M. Cismondi, M.L. Michelsen, Global phase equilibrium calculations: critical lines, critical end points and liquid-liquid-vapour equilibrium in binary mixtures, J. Supercrit. Fluids 39 (2007) 287-295]. It integrates the calculation of critical lines, liquid-liquid-vapour (LLV) lines and critical end points, and was implemented in the software program GPEC: global phase equilibrium calculations [M. Cismondi, D.N. Nuñez, M.S. Zabaloy, E.A. Brignole, M.L. Michelsen, J.M. Mollerup, GPEC: a program for global phase equilibrium calculations in binary systems, in: Proceedings of the CD-ROM EQUIFASE 2006, Morelia, Michoacán, Mexico, October 21-25, 2006; www.gpec.plapiqui.edu.ar]. In this work we present the methods and computational strategy for the automated calculation of complete Pxy and Txy diagrams in binary systems. Being constructed from the points given by the global phase diagram at a specified temperature or pressure, their calculation does not require the implementation of stability analysis. We illustrate the application of the algorithm through a variety of Pxy and Txy diagrams generated using the RK-PR EOS.
publishDate 2007
dc.date.none.fl_str_mv 2007-10-15
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/11336/79070
Cismondi Duarte, Martín; Michelsen, Michael; Automated calculation of complete Pxy and Txy diagrams for binary systems; Elsevier Science; Fluid Phase Equilibria; 259; 2; 15-10-2007; 228-234
0378-3812
CONICET Digital
CONICET
url http://hdl.handle.net/11336/79070
identifier_str_mv Cismondi Duarte, Martín; Michelsen, Michael; Automated calculation of complete Pxy and Txy diagrams for binary systems; Elsevier Science; Fluid Phase Equilibria; 259; 2; 15-10-2007; 228-234
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/S0378381207004001
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2007.07.019
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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