Ar在CO_2狭缝中吸附的密度分布:自发对称性破缺
Density profiles of Ar adsorbed in slits of CO_2: spontaneous symmetry breaking
摘要:
研究了最近报道的被两个平行的二氧化碳固体壁限制的流体氩的密度分布的对称性破缺。计算是在非局域密度泛函理论的框架下进行的。结果表明,这种不对称的解决方案的存在限于一个特殊的选择的吸附势,其中的吸引力的固体-流体相互作用的硬壁排斥的引入减少。还讨论了作为狭缝宽度的函数的行为。所有的结果都是根据目前对这一问题的了解得出的。
英文摘要:
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.
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