Head-on Collision of Two Nanodroplets on a Solid Surface: A Molecular Dynamics Simulation Study

无量纲量 碰撞 润湿 机械 固体表面 分子动力学 力矩(物理) 化学 材料科学 化学物理 物理 经典力学 复合材料 计算化学 计算机安全 计算机科学
作者
Peng Mao,Shan Gao,Wei Liu,Zhichun Liu
出处
期刊:Langmuir [American Chemical Society]
卷期号:37 (42): 12346-12355 被引量:8
标识
DOI:10.1021/acs.langmuir.1c01849
摘要

Most researchers focus on the collision of a single droplet with a solid surface, while it is common for a droplet to collide with a sessile droplet on a solid surface in reality. This study performed the head-on collision of two nanodroplets on a solid surface using the molecular dynamics simulation method. The effects of impact velocity, interaction intensity between solid and liquid atoms, and the solid fraction of the surface on the collision process are studied with independent simulation cases. The maximum spreading factor and the dimensionless maximum spreading time are recorded and calculated to describe the collision process quantitatively. The simulation results indicate that the maximum spreading factor depends more on the solid fraction than the interaction intensity since it does not fundamentally change the wetting state of the droplet at its maximum spreading state. Because of two different effects, the maximum dimensionless spreading time decreases first and then increases with the interaction intensity, and both effects weaken with the increase of impact velocity. As the solid fraction increases, the maximum spreading factor increases significantly at high impact velocity, and the maximum dimensionless spreading time first decreases and then increases because the wetting state of the coalescent droplet at the maximum spreading moment gradually changes from the Wenzel state to the Cassie state. In general, the initial wetting state of the sessile droplet and the wetting state of the coalescent droplet at the maximum spreading moment have important effects on the maximum spreading factor and the maximum spreading time. We establish a theoretical prediction model for the maximum spreading factor on a smooth surface based on energy conservation with quite good accuracy. This research has improved our understanding of the head-on collision process of two nanodroplets on a solid surface.
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