期刊
JOURNAL OF CHEMICAL PHYSICS
卷 130, 期 3, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3055600
关键词
contact angle; Lennard-Jones potential; liquid theory; molecular dynamics method; water
In this work, Lennard-Jones liquid and water droplets are simulated adjacent to a solid surface using molecular dynamics. The contact angle is obtained by using direct simulation. The particle-particle particle-mesh method [B. Shi, S. Sinha, and V. K. Dhir, J. Phys. Chem. 124, 204715 (2006)] for long range force correction is used in the simulation. The contact angle is studied as a function of system temperature and the solid/fluid interaction potential. It is shown that the contact angle decreases with increasing system temperature and increases when the potential decreases. At high system temperature (pressure), the contact angle drops to zero. The predictions are compared with data from experiments and a reasonable agreement is found.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据