Asymmetric profils and prewetting lines in the filling of planar slits with Ne

Autores
Sartarelli, Salvador Andrés; Szybisz, Leszek
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The filling of slits with identical planar walls is investigated in the frame of the density functional theory. For this kind of slit, the confining potential is symmetric with respect to its central plane. Closed and open systems are studied by applying, respectively, the canonical and grand canonical ensembles (CE and GCE). Results obtained for the confinement of fluid Ne by alkaline surfaces are reported. The behavior of these systems is analyzed by varying the strength of the Ne–substrate attraction, the temperature T, and the coverage . It is assumed that the one-body density of the fluid, ρ(r), is uniform along the (x, y) planes parallel to the walls, becoming a function of the coordinate z perpendicular to those planes. Two sorts of solutions are found for the density profile: (i) symmetric ones that follow the left–right symmetry of the potential exerted by the walls and (ii) asymmetric ones that break the symmetry of the slit. The pores are wide enough for determining prewetting (PW) lines and wetting and critical PW temperatures, i.e., Tw and Tcpw, from the analysis of symmetric solutions provided by both the CE and GCE schemes. Asymmetric species are examined in detail for T > Tw. It is shown that for a given Ne–substrate pair at a fixed T both the CE and GCE frames yield only one asymmetric 2-fold degenerate stable profile (formed by a “thin” wetting film at one wall and a “thick” wetting film at the other) coexisting with two symmetric profiles (formed by “thin” or “thick” wetting films at the two walls), while the remaining asymmetric states are at best metastable. This feature occurs along PW lines and disappears at Tcpw.
Fil: Sartarelli, Salvador Andrés. Universidad Nacional de General Sarmiento. Instituto del Desarrollo Humano; Argentina
Fil: Szybisz, Leszek. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigación y Aplicaciones No Nucleares. Gerencia Física (Centro Atómico Constituyentes). Proyecto Tandar; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Materia
Confined Fluids
Prewetting Lines And Critical Temperatures
Density Profiles And Wetting Temperatures
Canonical And Grand Canonical Ensembles
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:11336/24020

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network_name_str CONICET Digital (CONICET)
spelling Asymmetric profils and prewetting lines in the filling of planar slits with NeSartarelli, Salvador AndrésSzybisz, LeszekConfined FluidsPrewetting Lines And Critical TemperaturesDensity Profiles And Wetting TemperaturesCanonical And Grand Canonical Ensembleshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The filling of slits with identical planar walls is investigated in the frame of the density functional theory. For this kind of slit, the confining potential is symmetric with respect to its central plane. Closed and open systems are studied by applying, respectively, the canonical and grand canonical ensembles (CE and GCE). Results obtained for the confinement of fluid Ne by alkaline surfaces are reported. The behavior of these systems is analyzed by varying the strength of the Ne–substrate attraction, the temperature T, and the coverage . It is assumed that the one-body density of the fluid, ρ(r), is uniform along the (x, y) planes parallel to the walls, becoming a function of the coordinate z perpendicular to those planes. Two sorts of solutions are found for the density profile: (i) symmetric ones that follow the left–right symmetry of the potential exerted by the walls and (ii) asymmetric ones that break the symmetry of the slit. The pores are wide enough for determining prewetting (PW) lines and wetting and critical PW temperatures, i.e., Tw and Tcpw, from the analysis of symmetric solutions provided by both the CE and GCE schemes. Asymmetric species are examined in detail for T > Tw. It is shown that for a given Ne–substrate pair at a fixed T both the CE and GCE frames yield only one asymmetric 2-fold degenerate stable profile (formed by a “thin” wetting film at one wall and a “thick” wetting film at the other) coexisting with two symmetric profiles (formed by “thin” or “thick” wetting films at the two walls), while the remaining asymmetric states are at best metastable. This feature occurs along PW lines and disappears at Tcpw.Fil: Sartarelli, Salvador Andrés. Universidad Nacional de General Sarmiento. Instituto del Desarrollo Humano; ArgentinaFil: Szybisz, Leszek. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigación y Aplicaciones No Nucleares. Gerencia Física (Centro Atómico Constituyentes). Proyecto Tandar; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaAmerican Chemical Society2013-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/24020Sartarelli, Salvador Andrés; Szybisz, Leszek; Asymmetric profils and prewetting lines in the filling of planar slits with Ne; American Chemical Society; Journal of Physical Chemistry B; 117; 20; 4-2013; 6256-62681520-61061520-5207CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp4000895info:eu-repo/semantics/altIdentifier/doi/10.1021/jp4000895info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:47:56Zoai:ri.conicet.gov.ar:11336/24020instacron: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 10:47:56.534CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Asymmetric profils and prewetting lines in the filling of planar slits with Ne
title Asymmetric profils and prewetting lines in the filling of planar slits with Ne
spellingShingle Asymmetric profils and prewetting lines in the filling of planar slits with Ne
Sartarelli, Salvador Andrés
Confined Fluids
Prewetting Lines And Critical Temperatures
Density Profiles And Wetting Temperatures
Canonical And Grand Canonical Ensembles
title_short Asymmetric profils and prewetting lines in the filling of planar slits with Ne
title_full Asymmetric profils and prewetting lines in the filling of planar slits with Ne
title_fullStr Asymmetric profils and prewetting lines in the filling of planar slits with Ne
title_full_unstemmed Asymmetric profils and prewetting lines in the filling of planar slits with Ne
title_sort Asymmetric profils and prewetting lines in the filling of planar slits with Ne
dc.creator.none.fl_str_mv Sartarelli, Salvador Andrés
Szybisz, Leszek
author Sartarelli, Salvador Andrés
author_facet Sartarelli, Salvador Andrés
Szybisz, Leszek
author_role author
author2 Szybisz, Leszek
author2_role author
dc.subject.none.fl_str_mv Confined Fluids
Prewetting Lines And Critical Temperatures
Density Profiles And Wetting Temperatures
Canonical And Grand Canonical Ensembles
topic Confined Fluids
Prewetting Lines And Critical Temperatures
Density Profiles And Wetting Temperatures
Canonical And Grand Canonical Ensembles
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The filling of slits with identical planar walls is investigated in the frame of the density functional theory. For this kind of slit, the confining potential is symmetric with respect to its central plane. Closed and open systems are studied by applying, respectively, the canonical and grand canonical ensembles (CE and GCE). Results obtained for the confinement of fluid Ne by alkaline surfaces are reported. The behavior of these systems is analyzed by varying the strength of the Ne–substrate attraction, the temperature T, and the coverage . It is assumed that the one-body density of the fluid, ρ(r), is uniform along the (x, y) planes parallel to the walls, becoming a function of the coordinate z perpendicular to those planes. Two sorts of solutions are found for the density profile: (i) symmetric ones that follow the left–right symmetry of the potential exerted by the walls and (ii) asymmetric ones that break the symmetry of the slit. The pores are wide enough for determining prewetting (PW) lines and wetting and critical PW temperatures, i.e., Tw and Tcpw, from the analysis of symmetric solutions provided by both the CE and GCE schemes. Asymmetric species are examined in detail for T > Tw. It is shown that for a given Ne–substrate pair at a fixed T both the CE and GCE frames yield only one asymmetric 2-fold degenerate stable profile (formed by a “thin” wetting film at one wall and a “thick” wetting film at the other) coexisting with two symmetric profiles (formed by “thin” or “thick” wetting films at the two walls), while the remaining asymmetric states are at best metastable. This feature occurs along PW lines and disappears at Tcpw.
Fil: Sartarelli, Salvador Andrés. Universidad Nacional de General Sarmiento. Instituto del Desarrollo Humano; Argentina
Fil: Szybisz, Leszek. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigación y Aplicaciones No Nucleares. Gerencia Física (Centro Atómico Constituyentes). Proyecto Tandar; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
description The filling of slits with identical planar walls is investigated in the frame of the density functional theory. For this kind of slit, the confining potential is symmetric with respect to its central plane. Closed and open systems are studied by applying, respectively, the canonical and grand canonical ensembles (CE and GCE). Results obtained for the confinement of fluid Ne by alkaline surfaces are reported. The behavior of these systems is analyzed by varying the strength of the Ne–substrate attraction, the temperature T, and the coverage . It is assumed that the one-body density of the fluid, ρ(r), is uniform along the (x, y) planes parallel to the walls, becoming a function of the coordinate z perpendicular to those planes. Two sorts of solutions are found for the density profile: (i) symmetric ones that follow the left–right symmetry of the potential exerted by the walls and (ii) asymmetric ones that break the symmetry of the slit. The pores are wide enough for determining prewetting (PW) lines and wetting and critical PW temperatures, i.e., Tw and Tcpw, from the analysis of symmetric solutions provided by both the CE and GCE schemes. Asymmetric species are examined in detail for T > Tw. It is shown that for a given Ne–substrate pair at a fixed T both the CE and GCE frames yield only one asymmetric 2-fold degenerate stable profile (formed by a “thin” wetting film at one wall and a “thick” wetting film at the other) coexisting with two symmetric profiles (formed by “thin” or “thick” wetting films at the two walls), while the remaining asymmetric states are at best metastable. This feature occurs along PW lines and disappears at Tcpw.
publishDate 2013
dc.date.none.fl_str_mv 2013-04
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/11336/24020
Sartarelli, Salvador Andrés; Szybisz, Leszek; Asymmetric profils and prewetting lines in the filling of planar slits with Ne; American Chemical Society; Journal of Physical Chemistry B; 117; 20; 4-2013; 6256-6268
1520-6106
1520-5207
CONICET Digital
CONICET
url http://hdl.handle.net/11336/24020
identifier_str_mv Sartarelli, Salvador Andrés; Szybisz, Leszek; Asymmetric profils and prewetting lines in the filling of planar slits with Ne; American Chemical Society; Journal of Physical Chemistry B; 117; 20; 4-2013; 6256-6268
1520-6106
1520-5207
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp4000895
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp4000895
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
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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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