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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/24020
Ver los metadatos del registro completo
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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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1844614524245639168 |
score |
13.070432 |