Full correspondence between asymmetric filling of slits and first-order phase transition lines

Autores
Szybisz, Leszek; Sartarelli, Salvador Andrés
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Adsorption on single planar walls and filling of slits with identical planar walls are investigated in the frame of the density functional theory. In this sort of slits the external potential is symmetric with respect to its central plane. Calculations were carried out by applying both the canonical and grand canonical ensembles (CE and GCE, respectively). The behavior is analyzed by varying the strength of the adsorbate-substrate attraction, the temperature T, and the coverage Results obtained for physisorption of Xe on alkaline surfaces are reported in the present work. Prewetting (PW) lines and wetting temperatures, Tw, are determined from the analysis of adsorption on single walls. The filling of slits is analyzed for temperatures T Tw. It is found that whenever for a given Xe-substrate combination the adsorption on a single wall exhibits a first-order wetting transition then asymmetric profiles that break the left-right symmetry of the external potential appear in the filling of an equivalent slit. These spontaneously symmetry breaking (SSB) solutions occur in a restricted range of with a T-dependent width. In the case of closed slits analyzed in the CE scheme, the obtained asymmetric profiles exhibit lower Helmholtz free energies than the symmetric species and, therefore, could be stabilized in this geometry. For open slits, the GCE scheme yields all the symmetric and SSB states in the corresponding convex regimes of the free energy. It is shown that both the CE and the GCE frames yield three coexistent states, two symmetric and one asymmetric twofold degenerate. Both a PW line and the related SSB effect terminate at the same temperature. For rather strongly attractive surfaces reentrant SSB states are found at a fixed value of T.
Fil: Szybisz, Leszek. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Sartarelli, Salvador Andrés. Universidad Nacional de General Sarmiento. Instituto del Desarrollo Humano; Argentina
Materia
Adsorption and wetting
Cononical and grand canonical ensembles
Symmetry of profiles
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:11336/194051
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/194051
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Full correspondence between asymmetric filling of slits and first-order phase transition linesSzybisz, LeszekSartarelli, Salvador AndrésAdsorption and wettingCononical and grand canonical ensemblesSymmetry of profileshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Adsorption on single planar walls and filling of slits with identical planar walls are investigated in the frame of the density functional theory. In this sort of slits the external potential is symmetric with respect to its central plane. Calculations were carried out by applying both the canonical and grand canonical ensembles (CE and GCE, respectively). The behavior is analyzed by varying the strength of the adsorbate-substrate attraction, the temperature T, and the coverage Results obtained for physisorption of Xe on alkaline surfaces are reported in the present work. Prewetting (PW) lines and wetting temperatures, Tw, are determined from the analysis of adsorption on single walls. The filling of slits is analyzed for temperatures T Tw. It is found that whenever for a given Xe-substrate combination the adsorption on a single wall exhibits a first-order wetting transition then asymmetric profiles that break the left-right symmetry of the external potential appear in the filling of an equivalent slit. These spontaneously symmetry breaking (SSB) solutions occur in a restricted range of with a T-dependent width. In the case of closed slits analyzed in the CE scheme, the obtained asymmetric profiles exhibit lower Helmholtz free energies than the symmetric species and, therefore, could be stabilized in this geometry. For open slits, the GCE scheme yields all the symmetric and SSB states in the corresponding convex regimes of the free energy. It is shown that both the CE and the GCE frames yield three coexistent states, two symmetric and one asymmetric twofold degenerate. Both a PW line and the related SSB effect terminate at the same temperature. For rather strongly attractive surfaces reentrant SSB states are found at a fixed value of T.Fil: Szybisz, Leszek. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Sartarelli, Salvador Andrés. Universidad Nacional de General Sarmiento. Instituto del Desarrollo Humano; ArgentinaAmerican Institute of Physics2011-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/194051Szybisz, Leszek; Sartarelli, Salvador Andrés; Full correspondence between asymmetric filling of slits and first-order phase transition lines; American Institute of Physics; AIP Advances; 1; 4; 11-2011; 1-182158-3226CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.3664297info:eu-repo/semantics/altIdentifier/doi/10.1063/1.3664297info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:49:13Zoai:ri.conicet.gov.ar:11336/194051instacron: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 09:49:14.017CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Full correspondence between asymmetric filling of slits and first-order phase transition lines
title Full correspondence between asymmetric filling of slits and first-order phase transition lines
spellingShingle Full correspondence between asymmetric filling of slits and first-order phase transition lines
Szybisz, Leszek
Adsorption and wetting
Cononical and grand canonical ensembles
Symmetry of profiles
title_short Full correspondence between asymmetric filling of slits and first-order phase transition lines
title_full Full correspondence between asymmetric filling of slits and first-order phase transition lines
title_fullStr Full correspondence between asymmetric filling of slits and first-order phase transition lines
title_full_unstemmed Full correspondence between asymmetric filling of slits and first-order phase transition lines
title_sort Full correspondence between asymmetric filling of slits and first-order phase transition lines
dc.creator.none.fl_str_mv Szybisz, Leszek
Sartarelli, Salvador Andrés
author Szybisz, Leszek
author_facet Szybisz, Leszek
Sartarelli, Salvador Andrés
author_role author
author2 Sartarelli, Salvador Andrés
author2_role author
dc.subject.none.fl_str_mv Adsorption and wetting
Cononical and grand canonical ensembles
Symmetry of profiles
topic Adsorption and wetting
Cononical and grand canonical ensembles
Symmetry of profiles
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Adsorption on single planar walls and filling of slits with identical planar walls are investigated in the frame of the density functional theory. In this sort of slits the external potential is symmetric with respect to its central plane. Calculations were carried out by applying both the canonical and grand canonical ensembles (CE and GCE, respectively). The behavior is analyzed by varying the strength of the adsorbate-substrate attraction, the temperature T, and the coverage Results obtained for physisorption of Xe on alkaline surfaces are reported in the present work. Prewetting (PW) lines and wetting temperatures, Tw, are determined from the analysis of adsorption on single walls. The filling of slits is analyzed for temperatures T Tw. It is found that whenever for a given Xe-substrate combination the adsorption on a single wall exhibits a first-order wetting transition then asymmetric profiles that break the left-right symmetry of the external potential appear in the filling of an equivalent slit. These spontaneously symmetry breaking (SSB) solutions occur in a restricted range of with a T-dependent width. In the case of closed slits analyzed in the CE scheme, the obtained asymmetric profiles exhibit lower Helmholtz free energies than the symmetric species and, therefore, could be stabilized in this geometry. For open slits, the GCE scheme yields all the symmetric and SSB states in the corresponding convex regimes of the free energy. It is shown that both the CE and the GCE frames yield three coexistent states, two symmetric and one asymmetric twofold degenerate. Both a PW line and the related SSB effect terminate at the same temperature. For rather strongly attractive surfaces reentrant SSB states are found at a fixed value of T.
Fil: Szybisz, Leszek. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Sartarelli, Salvador Andrés. Universidad Nacional de General Sarmiento. Instituto del Desarrollo Humano; Argentina
description Adsorption on single planar walls and filling of slits with identical planar walls are investigated in the frame of the density functional theory. In this sort of slits the external potential is symmetric with respect to its central plane. Calculations were carried out by applying both the canonical and grand canonical ensembles (CE and GCE, respectively). The behavior is analyzed by varying the strength of the adsorbate-substrate attraction, the temperature T, and the coverage Results obtained for physisorption of Xe on alkaline surfaces are reported in the present work. Prewetting (PW) lines and wetting temperatures, Tw, are determined from the analysis of adsorption on single walls. The filling of slits is analyzed for temperatures T Tw. It is found that whenever for a given Xe-substrate combination the adsorption on a single wall exhibits a first-order wetting transition then asymmetric profiles that break the left-right symmetry of the external potential appear in the filling of an equivalent slit. These spontaneously symmetry breaking (SSB) solutions occur in a restricted range of with a T-dependent width. In the case of closed slits analyzed in the CE scheme, the obtained asymmetric profiles exhibit lower Helmholtz free energies than the symmetric species and, therefore, could be stabilized in this geometry. For open slits, the GCE scheme yields all the symmetric and SSB states in the corresponding convex regimes of the free energy. It is shown that both the CE and the GCE frames yield three coexistent states, two symmetric and one asymmetric twofold degenerate. Both a PW line and the related SSB effect terminate at the same temperature. For rather strongly attractive surfaces reentrant SSB states are found at a fixed value of T.
publishDate 2011
dc.date.none.fl_str_mv 2011-11
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/11336/194051
Szybisz, Leszek; Sartarelli, Salvador Andrés; Full correspondence between asymmetric filling of slits and first-order phase transition lines; American Institute of Physics; AIP Advances; 1; 4; 11-2011; 1-18
2158-3226
CONICET Digital
CONICET
url http://hdl.handle.net/11336/194051
identifier_str_mv Szybisz, Leszek; Sartarelli, Salvador Andrés; Full correspondence between asymmetric filling of slits and first-order phase transition lines; American Institute of Physics; AIP Advances; 1; 4; 11-2011; 1-18
2158-3226
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://aip.scitation.org/doi/10.1063/1.3664297
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.3664297
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 Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
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 13.070432

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