Title : Recent advances application of molecular dynamic simulation for studying the influence of droplet size and surface potential on the contact angle: A review
Abstract:
The contact angle between a solid surface and the interface of coexisting fluids, which characterizes the relative preference at the three-phase boundaries and the solid surface underlying the droplet, plays an important role in many fields of science and technology. In recent years, a huge advancement in our understanding of contact angles and nanostructured surfaces with varied geometrical aspects has been accomplished utilizing molecular dynamic simulation. This has enhanced our capability to carry out such estimation more precisely and effectively. In this review, we highlight recent advances in contact angles estimated from droplet sizes, and MD simulations have been conducted to reveal the effect of Lennard-Jones (L-J) interaction potentials of nanohydrophilicity and nanohydrophobicity. This study also offers a molecular viewpoint to comprehend the fundamental nature of the curvature influence on the contact angles, using droplet geometries and surface free energies, respectively. Along with the comprehensive investigation, it is expected that new knowledge of nanoscale wetting and anticipated future developments will provide fresh perspectives on how to design various surface geometries to increase the stability of superhydrophobic and superhydrophilic surfaces.
