Molecular dynamics study of self-propelled droplet on different surfaces

• Published in: Chemical physics letters 2021-11, Vol.782, p.139029, Article 139029
• Main Authors: Xu, Bo, Wang, Sophie, Chen, Zhenqian
• Format: Article
• Language: English
• Subjects: Conical structure; Gradient zone angle; Molecular dynamics simulation; Self-propelled droplet; Wettability gradient
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/j.cplett.2021.139029

[Display omitted] •Molecular dynamics study of self-propelled droplet on different surfaces.•Both surface wettability gradient and conical structure can induce droplet movement automatically.•It provided a microscopic theoretical support for macro phenomenon and a guideline for micro-nano surface design. To provide a microscopic view of droplet self-propelled behavior, droplet movement on surfaces with different parameters (wettability gradient, gradient zone angle, conical micro/nano structure) using molecular dynamics simulation (MDS) were studied. The result shows that both surface wettability gradient and the conical structure can induce the droplet movement. The moving velocity increases as the wettability gradient increases, generally a higher velocity prevails for hydrophobic surface at the same wettability gradient. The maximum peak velocity is observed at the conical angle of around 40°, and the velocity does not show much difference at different wettability of the conical structure.