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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Asymmetric Profiles and Prewetting Lines in the Filling of Planar Slits with Ne
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Asymmetric Profiles and Prewetting Lines in the Filling of Planar Slits with Ne

机译：Ne填充平面缝中的不对称轮廓和预湿线

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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 1}. It is assumed that the one-body density of the fluid, p(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., T_w and T_(cpw), from the analysis of symmetric solutions provided by both the CE and GCE schemes. Asymmetric species are examined in detail for T >T_w. 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 metastatic This feature occurs along PW lines and disappears at T_(cpw).
机译：在密度泛函理论的框架内研究了具有相同平面壁的缝隙的填充。对于这种狭缝，限制电位相对于其中心平面对称。通过分别应用规范和大规范合奏（CE和GCE）来研究封闭和开放系统。报道了通过碱性表面限制流体Ne所获得的结果。这些系统的行为是通过改变Ne基板吸引力的强度，温度T和覆盖率1}来分析的。假定流体的单体密度p（r）在平行于壁的（x，y）平面上是均匀的，成为垂直于这些平面的坐标z的函数。对于密度分布，找到两种解决方案：（i）对称的解决方案，遵循壁施加的电位的左右对称性;（ii）打破狭缝对称性的解决方案。孔足够宽，可以通过分析CE和GCE方案提供的对称溶液来确定预润湿（PW）线以及润湿和临界PW温度，即T_w和T_（cpw）。对于T> T_w，详细检查了不对称物质。结果表明，对于给定的固定T的Ne底物对，CE和GCE框架仅产生一个不对称的2倍简并稳定轮廓（由一处壁上的“薄”润湿膜和“厚”润湿膜形成与另一个对称轮廓共存（由两个壁上的“薄”或“厚”润湿膜形成），而其余不对称状态最多是转移性的。此特征沿PW线出现，在T_（cpw）处消失。

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