当前位置: X-MOL 学术J. Chem. Phys. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
The Young–Laplace equation for a solid–liquid interface
The Journal of Chemical Physics ( IF 3.1 ) Pub Date : 2020-11-19 , DOI: 10.1063/5.0032602
P. Montero de Hijes 1 , K. Shi 2 , E. G. Noya 3 , E. E. Santiso 2 , K. E. Gubbins 2 , E. Sanz 1 , C. Vega 1
Affiliation  

The application of the Young–Laplace equation to a solid–liquid interface is considered. Computer simulations show that the pressure inside a solid cluster of hard spheres is smaller than the external pressure of the liquid (both for small and large clusters). This would suggest a negative value for the interfacial free energy. We show that in a Gibbsian description of the thermodynamics of a curved solid–liquid interface in equilibrium, the choice of the thermodynamic (rather than mechanical) pressure is required, as suggested by Tolman for the liquid–gas scenario. With this definition, the interfacial free energy is positive, and the values obtained are in excellent agreement with previous results from nucleation studies. Although, for a curved fluid–fluid interface, there is no distinction between mechanical and thermal pressures (for a sufficiently large inner phase), in the solid–liquid interface, they do not coincide, as hypothesized by Gibbs.

中文翻译:

固液界面的Young-Laplace方程

考虑了Young-Laplace方程在固液界面上的应用。计算机模拟表明,硬球体的固体团簇内部的压力小于液体的外部压力(无论对于大团簇还是大团簇)。这表明界面自由能为负值。我们证明,在吉布斯对平衡的弯曲固液界面热力学的描述中,需要选择热力学(而不是机械)压力,正如托尔曼(Tolman)提出的关于液-气场景的建议。根据这个定义,界面自由能为正,并且所获得的值与成核研究的先前结果非常吻合。尽管对于弯曲的流体界面,
更新日期:2020-11-21
down
wechat
bug