Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems

Autores
Rodriguez Reartes, Sabrina Belen; Pisoni, Gerardo Oscar; Zabaloy, Marcelo Santiago
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The phenomenon of retrograde melting at constanttemperature takes place when a solid phase is melted, or made to disappear, upon compression. Analogously, retrograde melting at constant pressure happens when a solid phase is melted, or made to disappear, upon cooling. In this work, we propose a test that makes possible to establish for a calculated, already converged, binary solid–fluid equilibrium (SFE) point (of temperature TSFE, pressure PSFE, and fluid phase composition z2), whether the behavior is regular or retrograde and, in case of retrograde behavior, whether the melting phenomenon is retrograde with respect to temperature, or to pressure, or to both. The test is based on evaluating, at TSFE and PSFE, the derivatives of the reduced tangent plane distance (tpd) with respect to temperature (dtpd∗/dT|P,z2 )SFE and pressure (dtpd∗/dP|T,z2 )SFE, for a tested phase of composition z2, and a trial phase consisting of the pure heavy component in solid state at TSFE and PSFE. The distinguishing feature of the present test is that the derivatives (dtpd∗/dT|P,z2 )SFE and (dtpd∗/dP|T,z2 )SFE are evaluated explicitly from the already converged SFE point, i.e., the present test does not require the computation of additional SFE points. Consequently, the test is fast and can be used for all points of a calculated SFE segment of an isopleth envelope. This leads to the eventual identification of points along the computed SFE segment where transitions from retrograde to regular behavior occur. We present results for a couple of highly asymmetric systems with the help of a model that uses an equation of state for describing the fluid phases, and a standard equation for describing the fugacity of the pure heavy component as a function of temperature and pressure.
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: 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: 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
Solid Fluid Equilibrium
Retrograde Melting
Binary
Equation of State
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:11336/25452
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systemsRodriguez Reartes, Sabrina BelenPisoni, Gerardo OscarZabaloy, Marcelo SantiagoSolid Fluid EquilibriumRetrograde MeltingBinaryEquation of Statehttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2The phenomenon of retrograde melting at constanttemperature takes place when a solid phase is melted, or made to disappear, upon compression. Analogously, retrograde melting at constant pressure happens when a solid phase is melted, or made to disappear, upon cooling. In this work, we propose a test that makes possible to establish for a calculated, already converged, binary solid–fluid equilibrium (SFE) point (of temperature TSFE, pressure PSFE, and fluid phase composition z2), whether the behavior is regular or retrograde and, in case of retrograde behavior, whether the melting phenomenon is retrograde with respect to temperature, or to pressure, or to both. The test is based on evaluating, at TSFE and PSFE, the derivatives of the reduced tangent plane distance (tpd) with respect to temperature (dtpd∗/dT|P,z2 )SFE and pressure (dtpd∗/dP|T,z2 )SFE, for a tested phase of composition z2, and a trial phase consisting of the pure heavy component in solid state at TSFE and PSFE. The distinguishing feature of the present test is that the derivatives (dtpd∗/dT|P,z2 )SFE and (dtpd∗/dP|T,z2 )SFE are evaluated explicitly from the already converged SFE point, i.e., the present test does not require the computation of additional SFE points. Consequently, the test is fast and can be used for all points of a calculated SFE segment of an isopleth envelope. This leads to the eventual identification of points along the computed SFE segment where transitions from retrograde to regular behavior occur. We present results for a couple of highly asymmetric systems with the help of a model that uses an equation of state for describing the fluid phases, and a standard equation for describing the fugacity of the pure heavy component as a function of temperature and pressure.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: 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: 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 Science2014-11-01info: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/11336/25452Rodriguez Reartes, Sabrina Belen; Pisoni, Gerardo Oscar; Zabaloy, Marcelo Santiago; Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems; Elsevier Science; Journal of Supercritical Fluids; 97; 1-11-2014; 36-440896-8446CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.supflu.2014.10.022info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0896844614003581info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:45:04Zoai:ri.conicet.gov.ar:11336/25452instacron: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 09:45:04.696CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems
title Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems
spellingShingle Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems
Rodriguez Reartes, Sabrina Belen
Solid Fluid Equilibrium
Retrograde Melting
Binary
Equation of State
title_short Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems
title_full Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems
title_fullStr Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems
title_full_unstemmed Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems
title_sort Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems
dc.creator.none.fl_str_mv Rodriguez Reartes, Sabrina Belen
Pisoni, Gerardo Oscar
Zabaloy, Marcelo Santiago
author Rodriguez Reartes, Sabrina Belen
author_facet Rodriguez Reartes, Sabrina Belen
Pisoni, Gerardo Oscar
Zabaloy, Marcelo Santiago
author_role author
author2 Pisoni, Gerardo Oscar
Zabaloy, Marcelo Santiago
author2_role author
author
dc.subject.none.fl_str_mv Solid Fluid Equilibrium
Retrograde Melting
Binary
Equation of State
topic Solid Fluid Equilibrium
Retrograde Melting
Binary
Equation of State
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 phenomenon of retrograde melting at constanttemperature takes place when a solid phase is melted, or made to disappear, upon compression. Analogously, retrograde melting at constant pressure happens when a solid phase is melted, or made to disappear, upon cooling. In this work, we propose a test that makes possible to establish for a calculated, already converged, binary solid–fluid equilibrium (SFE) point (of temperature TSFE, pressure PSFE, and fluid phase composition z2), whether the behavior is regular or retrograde and, in case of retrograde behavior, whether the melting phenomenon is retrograde with respect to temperature, or to pressure, or to both. The test is based on evaluating, at TSFE and PSFE, the derivatives of the reduced tangent plane distance (tpd) with respect to temperature (dtpd∗/dT|P,z2 )SFE and pressure (dtpd∗/dP|T,z2 )SFE, for a tested phase of composition z2, and a trial phase consisting of the pure heavy component in solid state at TSFE and PSFE. The distinguishing feature of the present test is that the derivatives (dtpd∗/dT|P,z2 )SFE and (dtpd∗/dP|T,z2 )SFE are evaluated explicitly from the already converged SFE point, i.e., the present test does not require the computation of additional SFE points. Consequently, the test is fast and can be used for all points of a calculated SFE segment of an isopleth envelope. This leads to the eventual identification of points along the computed SFE segment where transitions from retrograde to regular behavior occur. We present results for a couple of highly asymmetric systems with the help of a model that uses an equation of state for describing the fluid phases, and a standard equation for describing the fugacity of the pure heavy component as a function of temperature and pressure.
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: 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: 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 The phenomenon of retrograde melting at constanttemperature takes place when a solid phase is melted, or made to disappear, upon compression. Analogously, retrograde melting at constant pressure happens when a solid phase is melted, or made to disappear, upon cooling. In this work, we propose a test that makes possible to establish for a calculated, already converged, binary solid–fluid equilibrium (SFE) point (of temperature TSFE, pressure PSFE, and fluid phase composition z2), whether the behavior is regular or retrograde and, in case of retrograde behavior, whether the melting phenomenon is retrograde with respect to temperature, or to pressure, or to both. The test is based on evaluating, at TSFE and PSFE, the derivatives of the reduced tangent plane distance (tpd) with respect to temperature (dtpd∗/dT|P,z2 )SFE and pressure (dtpd∗/dP|T,z2 )SFE, for a tested phase of composition z2, and a trial phase consisting of the pure heavy component in solid state at TSFE and PSFE. The distinguishing feature of the present test is that the derivatives (dtpd∗/dT|P,z2 )SFE and (dtpd∗/dP|T,z2 )SFE are evaluated explicitly from the already converged SFE point, i.e., the present test does not require the computation of additional SFE points. Consequently, the test is fast and can be used for all points of a calculated SFE segment of an isopleth envelope. This leads to the eventual identification of points along the computed SFE segment where transitions from retrograde to regular behavior occur. We present results for a couple of highly asymmetric systems with the help of a model that uses an equation of state for describing the fluid phases, and a standard equation for describing the fugacity of the pure heavy component as a function of temperature and pressure.
publishDate 2014
dc.date.none.fl_str_mv 2014-11-01
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/11336/25452
Rodriguez Reartes, Sabrina Belen; Pisoni, Gerardo Oscar; Zabaloy, Marcelo Santiago; Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems; Elsevier Science; Journal of Supercritical Fluids; 97; 1-11-2014; 36-44
0896-8446
CONICET Digital
CONICET
url http://hdl.handle.net/11336/25452
identifier_str_mv Rodriguez Reartes, Sabrina Belen; Pisoni, Gerardo Oscar; Zabaloy, Marcelo Santiago; Test for the detection of the retrograde melting phenomenon in computed solid-fluid equilibria of binary asymmetric systems; Elsevier Science; Journal of Supercritical Fluids; 97; 1-11-2014; 36-44
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/doi/10.1016/j.supflu.2014.10.022
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0896844614003581
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
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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