Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions

Autores
Rodriguez Reartes, Sabrina Belen; Cismondi Duarte, Martín; Zabaloy, Marcelo Santiago
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work, we propose and test a numerical continuation method (NCM) for calculating solid-fluid-fluid (SFF) equilibrium loci for binary asymmetric systems. Such loci generally exist over a wide range of conditions. The method is able to track SFF lines of varying shape and degree of non-linearity. When building a curve for which, as in the case of a SFF curve, every point is defined by a non-linear system of equations, NCMs have the ability of selecting, among the variables involved, the optimum one, i.e., the variable that should be specified for calculating the next point on the curve. The initial guess for such next point is, when using NCMs, more sophisticated than simply setting it equal to the previously converged point of the curve. These features of NCMs make possible to track complete SFF lines with minimum user intervention. Among other algorithms, we propose in this work a procedure to obtain SFF lines that have been previously regarded as difficult to compute due to the very low concentration of the heavy component of the binary asymmetric system in either fluid phase. We illustrate the use of the present algorithms for a model that uses the Peng-Robinson equation of state (EOS) for the fluid phases, and an equation that relates the fugacity of the pure heavy component with pressure and temperature. We do not consider in this work the precipitation of the light component. © 2011 Elsevier B.V. All rights reserved.
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: Cismondi Duarte, Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales; Argentina
Fil: Zabaloy, Marcelo Santiago. 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
Materia
Binary Systems
Equation of State
High Pressure
Numerical Continuation Method
Solid-Fluid-Fluid Equilibrium
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:11336/66916
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network_name_str CONICET Digital (CONICET)
spelling Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditionsRodriguez Reartes, Sabrina BelenCismondi Duarte, MartínZabaloy, Marcelo SantiagoBinary SystemsEquation of StateHigh PressureNumerical Continuation MethodSolid-Fluid-Fluid Equilibriumhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2In this work, we propose and test a numerical continuation method (NCM) for calculating solid-fluid-fluid (SFF) equilibrium loci for binary asymmetric systems. Such loci generally exist over a wide range of conditions. The method is able to track SFF lines of varying shape and degree of non-linearity. When building a curve for which, as in the case of a SFF curve, every point is defined by a non-linear system of equations, NCMs have the ability of selecting, among the variables involved, the optimum one, i.e., the variable that should be specified for calculating the next point on the curve. The initial guess for such next point is, when using NCMs, more sophisticated than simply setting it equal to the previously converged point of the curve. These features of NCMs make possible to track complete SFF lines with minimum user intervention. Among other algorithms, we propose in this work a procedure to obtain SFF lines that have been previously regarded as difficult to compute due to the very low concentration of the heavy component of the binary asymmetric system in either fluid phase. We illustrate the use of the present algorithms for a model that uses the Peng-Robinson equation of state (EOS) for the fluid phases, and an equation that relates the fugacity of the pure heavy component with pressure and temperature. We do not consider in this work the precipitation of the light component. © 2011 Elsevier B.V. All rights reserved.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; ArgentinaFil: Cismondi Duarte, Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales; ArgentinaFil: Zabaloy, Marcelo Santiago. 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; ArgentinaElsevier Science2011-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/66916Rodriguez Reartes, Sabrina Belen; Cismondi Duarte, Martín; Zabaloy, Marcelo Santiago; Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions; Elsevier Science; Journal of Supercritical Fluids; 57; 1; 5-2011; 9-240896-8446CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0896844611000386info:eu-repo/semantics/altIdentifier/doi/10.1016/j.supflu.2011.02.004info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:06:25Zoai:ri.conicet.gov.ar:11336/66916instacron: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 10:06:25.649CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions
title Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions
spellingShingle Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions
Rodriguez Reartes, Sabrina Belen
Binary Systems
Equation of State
High Pressure
Numerical Continuation Method
Solid-Fluid-Fluid Equilibrium
title_short Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions
title_full Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions
title_fullStr Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions
title_full_unstemmed Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions
title_sort Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions
dc.creator.none.fl_str_mv Rodriguez Reartes, Sabrina Belen
Cismondi Duarte, Martín
Zabaloy, Marcelo Santiago
author Rodriguez Reartes, Sabrina Belen
author_facet Rodriguez Reartes, Sabrina Belen
Cismondi Duarte, Martín
Zabaloy, Marcelo Santiago
author_role author
author2 Cismondi Duarte, Martín
Zabaloy, Marcelo Santiago
author2_role author
author
dc.subject.none.fl_str_mv Binary Systems
Equation of State
High Pressure
Numerical Continuation Method
Solid-Fluid-Fluid Equilibrium
topic Binary Systems
Equation of State
High Pressure
Numerical Continuation Method
Solid-Fluid-Fluid Equilibrium
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv In this work, we propose and test a numerical continuation method (NCM) for calculating solid-fluid-fluid (SFF) equilibrium loci for binary asymmetric systems. Such loci generally exist over a wide range of conditions. The method is able to track SFF lines of varying shape and degree of non-linearity. When building a curve for which, as in the case of a SFF curve, every point is defined by a non-linear system of equations, NCMs have the ability of selecting, among the variables involved, the optimum one, i.e., the variable that should be specified for calculating the next point on the curve. The initial guess for such next point is, when using NCMs, more sophisticated than simply setting it equal to the previously converged point of the curve. These features of NCMs make possible to track complete SFF lines with minimum user intervention. Among other algorithms, we propose in this work a procedure to obtain SFF lines that have been previously regarded as difficult to compute due to the very low concentration of the heavy component of the binary asymmetric system in either fluid phase. We illustrate the use of the present algorithms for a model that uses the Peng-Robinson equation of state (EOS) for the fluid phases, and an equation that relates the fugacity of the pure heavy component with pressure and temperature. We do not consider in this work the precipitation of the light component. © 2011 Elsevier B.V. All rights reserved.
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: Cismondi Duarte, Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales; Argentina
Fil: Zabaloy, Marcelo Santiago. 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
description In this work, we propose and test a numerical continuation method (NCM) for calculating solid-fluid-fluid (SFF) equilibrium loci for binary asymmetric systems. Such loci generally exist over a wide range of conditions. The method is able to track SFF lines of varying shape and degree of non-linearity. When building a curve for which, as in the case of a SFF curve, every point is defined by a non-linear system of equations, NCMs have the ability of selecting, among the variables involved, the optimum one, i.e., the variable that should be specified for calculating the next point on the curve. The initial guess for such next point is, when using NCMs, more sophisticated than simply setting it equal to the previously converged point of the curve. These features of NCMs make possible to track complete SFF lines with minimum user intervention. Among other algorithms, we propose in this work a procedure to obtain SFF lines that have been previously regarded as difficult to compute due to the very low concentration of the heavy component of the binary asymmetric system in either fluid phase. We illustrate the use of the present algorithms for a model that uses the Peng-Robinson equation of state (EOS) for the fluid phases, and an equation that relates the fugacity of the pure heavy component with pressure and temperature. We do not consider in this work the precipitation of the light component. © 2011 Elsevier B.V. All rights reserved.
publishDate 2011
dc.date.none.fl_str_mv 2011-05
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/11336/66916
Rodriguez Reartes, Sabrina Belen; Cismondi Duarte, Martín; Zabaloy, Marcelo Santiago; Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions; Elsevier Science; Journal of Supercritical Fluids; 57; 1; 5-2011; 9-24
0896-8446
CONICET Digital
CONICET
url http://hdl.handle.net/11336/66916
identifier_str_mv Rodriguez Reartes, Sabrina Belen; Cismondi Duarte, Martín; Zabaloy, Marcelo Santiago; Computation of solid-fluid-fluid equilibria for binary asymmetric mixtures in wide ranges of conditions; Elsevier Science; Journal of Supercritical Fluids; 57; 1; 5-2011; 9-24
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/S0896844611000386
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.supflu.2011.02.004
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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