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

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...

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Autores principales:	Szybisz, Leszek, Sartarelli, Salvador Andres
Publicado:	2011
Materias:	Adsorbate-substrate Asymmetric profile Attractive surfaces External potential First-order phase transitions First-order wetting transitions Grand canonical ensemble Left-right symmetry Planar walls Pre-wetting Single Wall Symmetry-breaking Wetting temperature Density functional theory Free energy Geometry Physisorption Wetting Filling
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_21583226_v1_n4_p_Szybisz http://hdl.handle.net/20.500.12110/paper_21583226_v1_n4_p_Szybisz
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_21583226_v1_n4_p_Szybisz
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spelling	paper:paper_21583226_v1_n4_p_Szybisz2023-06-08T16:34:24Z Full correspondence between asymmetric filling of slits and first-order phase transition lines Szybisz, Leszek Sartarelli, Salvador Andres Adsorbate-substrate Asymmetric profile Attractive surfaces External potential First-order phase transitions First-order wetting transitions Grand canonical ensemble Left-right symmetry Planar walls Pre-wetting Single Wall Symmetry-breaking Wetting temperature Density functional theory Free energy Geometry Physisorption Wetting Filling 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, T w, are determined from the analysis of adsorption on single walls. The filling of slits is analyzed for temperatures T T w. 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. © Copyright 2011 Author(s). Fil:Szybisz, L. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Sartarelli, S.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2011 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_21583226_v1_n4_p_Szybisz http://hdl.handle.net/20.500.12110/paper_21583226_v1_n4_p_Szybisz
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Adsorbate-substrate Asymmetric profile Attractive surfaces External potential First-order phase transitions First-order wetting transitions Grand canonical ensemble Left-right symmetry Planar walls Pre-wetting Single Wall Symmetry-breaking Wetting temperature Density functional theory Free energy Geometry Physisorption Wetting Filling
spellingShingle	Adsorbate-substrate Asymmetric profile Attractive surfaces External potential First-order phase transitions First-order wetting transitions Grand canonical ensemble Left-right symmetry Planar walls Pre-wetting Single Wall Symmetry-breaking Wetting temperature Density functional theory Free energy Geometry Physisorption Wetting Filling Szybisz, Leszek Sartarelli, Salvador Andres Full correspondence between asymmetric filling of slits and first-order phase transition lines
topic_facet	Adsorbate-substrate Asymmetric profile Attractive surfaces External potential First-order phase transitions First-order wetting transitions Grand canonical ensemble Left-right symmetry Planar walls Pre-wetting Single Wall Symmetry-breaking Wetting temperature Density functional theory Free energy Geometry Physisorption Wetting Filling
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, T w, are determined from the analysis of adsorption on single walls. The filling of slits is analyzed for temperatures T T w. 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. © Copyright 2011 Author(s).
author	Szybisz, Leszek Sartarelli, Salvador Andres
author_facet	Szybisz, Leszek Sartarelli, Salvador Andres
author_sort	Szybisz, Leszek
title	Full correspondence between asymmetric filling of slits and first-order phase transition lines
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
publishDate	2011
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_21583226_v1_n4_p_Szybisz http://hdl.handle.net/20.500.12110/paper_21583226_v1_n4_p_Szybisz
work_keys_str_mv	AT szybiszleszek fullcorrespondencebetweenasymmetricfillingofslitsandfirstorderphasetransitionlines AT sartarellisalvadorandres fullcorrespondencebetweenasymmetricfillingofslitsandfirstorderphasetransitionlines
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Full correspondence between asymmetric filling of slits and first-order phase transition lines

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