4.6 Article

Molecular dynamics study of self-propelled droplet on different surfaces

Journal

CHEMICAL PHYSICS LETTERS
Volume 782, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.cplett.2021.139029

Keywords

Molecular dynamics simulation; Self-propelled droplet; Wettability gradient; Gradient zone angle; Conical structure

Funding

  1. National Natural Science Foundation of China [52006031]
  2. Air Conditioning and Refrigerant Center (ACRC) at University of Illinois at Urbana Champaign
  3. Opening Project of the Key Laboratory of Heat Transfer Enhancement and Energy Conservation of Education Ministry [MOEKLEHTEC2020KFJJ04]
  4. China Scholarship Council

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The study using molecular dynamics simulation (MDS) found that both surface wettability gradient and conical structure can influence the velocity of droplet movement, with the maximum peak velocity observed at around 40 degrees conical angle.
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 degrees, and the velocity does not show much difference at different wettability of the conical structure.

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