Molecular Dynamics Study of Thermally Augmented Nanodroplet Motion on Chemical Energy Induced Wettability Gradient Surfaces

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• 作者：Monojit Chakraborty ; Anamika Chowdhury ; Richa Bhusan ; Sunando DasGupta
• 刊名：Langmuir
• 出版年：2015
• 出版时间：October 20, 2015
• 年：2015
• 卷：31
• 期：41
• 页码：11260-11268
• 全文大小：583K
• ISSN：1520-5827

文摘

Droplet motion on a surface with chemical energy induced wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics of molecular movement near the solid鈥搇iquid interface including the contact line friction. The simulations mimic experiments in a comprehensive manner wherein microsized droplets are propelled by the surface wettability gradient against forces opposed to motion. The liquid-wall Lennard-Jones interaction parameter and the substrate temperature are varied to explore their effects on the three-phase contact line friction coefficient. The contact line friction is observed to be a strong function of temperature at atomistic scales, confirming their experimentally observed inverse functionality. Additionally, the MD simulation results are successfully compared with those from an analytical model for self-propelled droplet motion on gradient surfaces.