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Abstract:

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 Γl. 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. © 2013 American Chemical Society.

Registro:

Documento: Artículo
Título:Asymmetric profiles and prewetting lines in the filling of planar slits with Ne
Autor:Sartarelli, S.A.; Szybisz, L.
Filiación:Instituto de Desarrollo Humano, Universidad Nacional de General Sarmiento, Gutierrez 1150, RA-1663 San Miguel, Argentina
Laboratorio TANDAR, Departamento de Física, Comisión Nacional de Energía Atómica, Av. del Libertador 8250, RA-1429 Buenos Aires, Argentina
Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, RA-1428 Buenos Aires, Argentina
Consejo Nacional de Investigaciones Científicas y Técnicas, Av. Rivadavia 1917, RA-1033 Buenos Aires, Argentina
Palabras clave:Density functional theory; Wetting; Asymmetric profile; Asymmetric state; Density profile; Grand canonical ensemble; Left-right symmetry; Planar walls; Symmetric solution; Wetting films; Wall function
Año:2013
Volumen:117
Número:20
Página de inicio:6256
Página de fin:6268
DOI: http://dx.doi.org/10.1021/jp4000895
Título revista:Journal of Physical Chemistry B
Título revista abreviado:J Phys Chem B
ISSN:15206106
CODEN:JPCBF
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15206106_v117_n20_p6256_Sartarelli

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Citas:

---------- APA ----------
Sartarelli, S.A. & Szybisz, L. (2013) . Asymmetric profiles and prewetting lines in the filling of planar slits with Ne. Journal of Physical Chemistry B, 117(20), 6256-6268.
http://dx.doi.org/10.1021/jp4000895
---------- CHICAGO ----------
Sartarelli, S.A., Szybisz, L. "Asymmetric profiles and prewetting lines in the filling of planar slits with Ne" . Journal of Physical Chemistry B 117, no. 20 (2013) : 6256-6268.
http://dx.doi.org/10.1021/jp4000895
---------- MLA ----------
Sartarelli, S.A., Szybisz, L. "Asymmetric profiles and prewetting lines in the filling of planar slits with Ne" . Journal of Physical Chemistry B, vol. 117, no. 20, 2013, pp. 6256-6268.
http://dx.doi.org/10.1021/jp4000895
---------- VANCOUVER ----------
Sartarelli, S.A., Szybisz, L. Asymmetric profiles and prewetting lines in the filling of planar slits with Ne. J Phys Chem B. 2013;117(20):6256-6268.
http://dx.doi.org/10.1021/jp4000895