液滴的过量等摩尔半径
The excess equimolar radius of liquid drops
摘要：
表面张力的曲率依赖性与液滴的过量等摩尔半径有关，即，等摩尔半径与用宏观毛细作用近似定义的半径的偏差。根据Tolman [J.Chem.Phys.17，333（1949）]的方法和Nijmeijer等人[J.Chem.Phys.96，565（1991）]的解释，根据曲率引起的压力差分析了球形界面的表面张力。在本研究中，过量的等摩尔半径，它可以直接从密度分布，而不是使用的托尔曼长度。采用分子动力学模拟研究了正则系综中截断位移Lennard-Jones流体的液滴，等摩尔半径为Lennard-Jones尺寸参数σ的4 ~ 33倍.在这些模拟中，过量等摩尔半径和托尔曼长度的大小被示出为小于sigma/2。其他有条不紊的方法，从相互矛盾的调查结果已被报道，批判性地讨论，概述了可能的来源不准确。
英文摘要：
The curvature dependence of the surface tension is related to the excess equimolar radius of liquid drops, i.e., the deviation of the equimolar radius from that defined with the macroscopic capillarity approximation. Based on the Tolman [J. Chem. Phys. 17, 333 (1949)] approach and its interpretation by Nijmeijer et al. [J. Chem. Phys. 96, 565 (1991)], the surface tension of spherical interfaces is analysed in terms of the pressure difference due to curvature. In the present study, the excess equimolar radius, which can be obtained directly from the density profile, is used instead of the Tolman length. Liquid drops of the truncated-shifted Lennard-Jones fluid are investigated by molecular dynamics simulation in the canonical ensemble, with equimolar radii ranging from 4 to 33 times the Lennard-Jones size parameter sigma. In these simulations, the magnitudes of the excess equimolar radius and the Tolman length are shown to be smaller than sigma/2. Other methodical approaches, from which mutually contradicting findings have been reported, are critically discussed, outlining possible sources of inaccuracy.
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