Molecular Dynamics Simulation of Water Nanodroplet Bounce Back from Flat and Nanopillared Surface,Langmuir

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Molecular Dynamics Simulation of Water Nanodroplet Bounce Back from Flat and Nanopillared Surface
Langmuir ( IF 3.7 ) Pub Date : 2017-09-20 00:00:00 , DOI: 10.1021/acs.langmuir.7b02149
Takahiro Koishi ₁ , Kenji Yasuoka ₂ , Xiao Cheng Zeng ₃

Affiliation

Molecular dynamics simulations of impinging nanodroplets were performed to study the bounce-back condition for flat and nanopillared surfaces. We found that the bounce-back condition can be closely related to the degree of droplet deformation upon collision with the solid surface. When the droplets have little or small deformation, the bounce-back condition solely depends on the hydrophobicity of the surface. On the other hand, when the droplet deformation is large, the impinging velocity dependence of the bounce-back condition becomes stronger due to the increase of the liquid–vapor interfacial area of colliding droplet, which is proportional to the liquid–vapor surface energy. The impinging droplet simulations with nanopillared hydrophobic surfaces were also performed. The contribution of droplet deformation in this case is relatively small because the surface hydrophobicity is enhanced due to the existence of pillars. Finally, we find that the maximum spreading diameter of the impinging droplets exhibits a consistent trend, in terms of the Weber number dependence, as the experimental measurements with macrodroplets.

中文翻译：

水纳米滴从平坦和纳米柱表面反弹的分子动力学模拟

进行了撞击纳米液滴的分子动力学模拟，以研究平面和纳米柱表面的反弹条件。我们发现反跳条件与与固体表面碰撞时的液滴变形程度密切相关。当液滴具有很小或很小的变形时，反跳条件仅取决于表面的疏水性。另一方面，当液滴变形较大时，由于碰撞液滴的液汽界面面积增加，与液汽表面能成比例，回弹条件的撞击速度依赖性变得更强。还进行了具有纳米柱状疏水表面的撞击液滴模拟。在这种情况下，液滴变形的贡献相对较小，这是因为由于存在柱而提高了表面疏水性。最后，我们发现撞击液滴的最大散布直径在韦伯数依赖性方面表现出一致的趋势，这是使用大液滴进行的实验测量。

更新日期：2017-09-20

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