Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor

We study the diffusion process in binary mixtures using transition probabilities that depend on a mean-field potential. This approach reproduces the Darken equation, a relationship between the intrinsic and the tracer diffusion coefficients, D A and D ∗ A , through the thermodynamic factor Φ (a func...

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Detalles Bibliográficos
Autores: Di Pietro Martínez, Marisel, Hoyuelos, Miguel Luis
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2019
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/122917
Acceso en línea:http://hdl.handle.net/11336/122917
Access Level:acceso abierto
Palabra clave:MEAN FIELD THEORY
MONTE CARLO METHODS
DIFFUSION
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
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spelling Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factorDi Pietro Martínez, MariselHoyuelos, Miguel LuisMEAN FIELD THEORYMONTE CARLO METHODSDIFFUSIONhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We study the diffusion process in binary mixtures using transition probabilities that depend on a mean-field potential. This approach reproduces the Darken equation, a relationship between the intrinsic and the tracer diffusion coefficients, D A and D ∗ A , through the thermodynamic factor Φ (a function of the derivative of the activity coefficient against the molar fraction). The mean-field approach allows us to go beyond the Darken equation and separately specify the dependence of D A and D ∗ A on the thermodynamic factor. We obtain that Φ appears in the expression for D ∗ A , but the intrinsic diffusivity D A turns out to be independent of Φ . Experimental results taken from the literature on diffusion in metal alloys are consistent with this theoretical prediction.Fil: Di Pietro Martínez, Marisel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaAmerican Physical Society2019-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/122917Di Pietro Martínez, Marisel; Hoyuelos, Miguel Luis; Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor; American Physical Society; Physical Review E: Statistical, Nonlinear and Soft Matter Physics; 100; 2; 8-2019; 1-91539-3755CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/pre/abstract/10.1103/PhysRevE.100.022112info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.100.022112info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T13:56:59Zoai:ri.conicet.gov.ar:11336/122917instacron: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:34982024-05-08 13:56:59.407CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor
title Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor
spellingShingle Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor
Di Pietro Martínez, Marisel
MEAN FIELD THEORY
MONTE CARLO METHODS
DIFFUSION
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
title_short Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor
title_full Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor
title_fullStr Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor
title_full_unstemmed Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor
title_sort Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor
dc.creator.none.fl_str_mv Di Pietro Martínez, Marisel
Hoyuelos, Miguel Luis
author Di Pietro Martínez, Marisel
author_facet Di Pietro Martínez, Marisel
Hoyuelos, Miguel Luis
author_role author
author2 Hoyuelos, Miguel Luis
author2_role author
dc.subject.none.fl_str_mv MEAN FIELD THEORY
MONTE CARLO METHODS
DIFFUSION
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
topic MEAN FIELD THEORY
MONTE CARLO METHODS
DIFFUSION
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
description We study the diffusion process in binary mixtures using transition probabilities that depend on a mean-field potential. This approach reproduces the Darken equation, a relationship between the intrinsic and the tracer diffusion coefficients, D A and D ∗ A , through the thermodynamic factor Φ (a function of the derivative of the activity coefficient against the molar fraction). The mean-field approach allows us to go beyond the Darken equation and separately specify the dependence of D A and D ∗ A on the thermodynamic factor. We obtain that Φ appears in the expression for D ∗ A , but the intrinsic diffusivity D A turns out to be independent of Φ . Experimental results taken from the literature on diffusion in metal alloys are consistent with this theoretical prediction.
publishDate 2019
dc.date.none.fl_str_mv 2019-08
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/11336/122917
Di Pietro Martínez, Marisel; Hoyuelos, Miguel Luis; Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor; American Physical Society; Physical Review E: Statistical, Nonlinear and Soft Matter Physics; 100; 2; 8-2019; 1-9
1539-3755
CONICET Digital
CONICET
url http://hdl.handle.net/11336/122917
identifier_str_mv Di Pietro Martínez, Marisel; Hoyuelos, Miguel Luis; Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor; American Physical Society; Physical Review E: Statistical, Nonlinear and Soft Matter Physics; 100; 2; 8-2019; 1-9
1539-3755
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://journals.aps.org/pre/abstract/10.1103/PhysRevE.100.022112
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.100.022112
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 American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
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 15.81155

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