Molecular Dynamics Simulation of the Influence of Nanoscale Structure on Water Wetting and Condensation

Micromachines (Basel). 2019 Aug 31;10(9):587. doi: 10.3390/mi10090587.

Abstract

Recent advances in the microfabrication technology have made it possible to control surface properties at micro- and nanoscale levels. Functional surfaces drastically change wettability and condensation processes that are essential for controlling of heat transfer. However, the direct observation of condensation on micro- and nanostructure surfaces is difficult, and further understanding of the effects of the microstructure on the phase change is required. In this research, the contact angle of droplets with a wall surface and the initial condensation process were analyzed using a molecular dynamics simulation to investigate the impact of nanoscale structures and their adhesion force on condensation. The results demonstrated the dependence of the contact angle of the droplets and condensation dynamics on the wall structure and attractive force of the wall surface. Condensed water droplets were adsorbed into the nanostructures and formed a water film in case of a hydrophilic surface.

Keywords: condensation; functional surface; molecular dynamics; nanoscale structure; wettability.