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吸附在二氧化碳狭缝中的氩的密度分布:再探自发对称性破缺

Density profiles of Ar adsorbed in slits of CO2: spontaneous symmetry breaking revisited.

作者信息

Szybisz Leszek, Sartarelli Salvador A

机构信息

Laboratorio TANDAR, Departamento de Física, Comisión Nacional de Energía Atómica, Av. del Libertador 8250, RA-1429 Buenos Aires, Argentina.

出版信息

J Chem Phys. 2008 Mar 28;128(12):124702. doi: 10.1063/1.2895747.

Abstract

A recently reported symmetry breaking of density profiles of fluid argon confined by two parallel solid walls of carbon dioxide is studied. The calculations are performed in the framework of a nonlocal density functional theory. It is shown that the existence of such asymmetrical solutions is restricted to a special choice for the adsorption potential, where the attraction of the solid-fluid interaction is reduced by the introduction of a hard-wall repulsion. The behavior as a function of the slit's width is also discussed. All the results are placed in the context of the current knowledge on this matter.

摘要

对最近报道的由两个平行的二氧化碳固体壁限制的流体氩密度分布的对称性破缺进行了研究。计算是在非局部密度泛函理论的框架内进行的。结果表明,这种不对称解的存在仅限于吸附势的特殊选择,其中通过引入硬壁排斥来降低固 - 液相互作用的吸引力。还讨论了作为狭缝宽度函数的行为。所有结果都置于关于此问题的当前知识背景下。

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