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arXiv 1203.2145cond-mat.stat-mechcond-mat.soft
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球约束下硬球系统热力学性质研究的一种精确形式

An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement

Ignacio Urrutia, Gabriela Castelletti

摘要:

本文提出了一种改进的巨正则系综,它为研究受限少体类流体非均匀系统提供了一种新的简单有效的方案。新的形式主义实施调查的硬球(HS)流体类系统的精确热力学性质,最多三个粒子被限制在一个球形空腔。此外,该系统的配分函数被用来分析的多HS系统的表面热力学性质,并推导出精确的曲率依赖的表面张力和吸附的密度的幂。得到了多- HS体系在固定硬球外的表面张力和吸附量的表达式。我们用这些结果来推导流体衬底托尔曼长度的依赖性,以一阶密度。

英文摘要:

This paper presents a modified grand canonical ensemble which provides a new simple and efficient scheme to study few-body fluid-like inhomogeneous systems under confinement. The new formalism is implemented to investigate the exact thermodynamic properties of a hard sphere (HS) fluid-like system with up to three particles confined in a spherical cavity. In addition, the partition function of this system was used to analyze the surface thermodynamic properties of the many-HS system and to derive the exact curvature dependence of both the surface tension and adsorption in powers of the density. The expressions for the surface tension and the adsorption were also obtained for the many- HS system outside of a fixed hard spherical object. We used these results to derive the dependence of the fluid-substrate Tolman length up to first order in density.

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