Study of Wettability Behavior of Water Nanodroplets on Platinum Surface by Molecular Dynamics Simulation

Abstract

The present paper deals with a comprehensive investigation of the wettability of the platinum surface when subjected to water nanodroplets using molecular dynamics simulation. To evaluate the wettability of a solid-liquid interface, the contact angle was analyzed varied with respect to time, temperature, and energy between the atoms and the surfaces using large-scale atomic/molecular massively parallel simulator. It is worth noting here that the research reveals a significant change in the contact angle which goes from a prominent 147.158° to a more favorable 123.65° in an incredibly brief period of 2 to 200 fs. That dynamic change highlights the platinum surface significant improvement in wettability and sheds light on the kinetics of solid-liquid interactions. The result also shows that the ambient temperature reduced from 320 to 285.5 K, and the droplet temperature increased from 2.43 to 170 K in the same temperature range along with a decrease in the total energy. This study emphasizes the progressive aspect of wettability by revealing that, as time increases, the contact angle consistently reduces. This shows the perspective on how the platinum surface becomes increasingly amenable to wetting by H₂O nanodroplets.