A Molecular Dynamics Investigation for the Evaporation of Thin Liquid Films

Abstract

Evaporation and condensation near the triple phase contact line is important for the heat and mass transfer at the micro-nano scale. In the present work, non-equilibrium molecular dynamics simulations (NEMD) were conducted to investigate the evaporation and condensation in thin liquid films at a triple phase system. The simulation domain was a cuboid with periodic boundary conditions. All the three phases were made up of Lennard-Jones molecules (platinum and argon). As solid walls were set with different temperatures, a non-equilibrium state system was established. Intensive evaporation and condensation through the thin liquid films were observed. The evaporation mass flux, the non-evaporation region on the heating wall and the related disjoining pressure were discussed and compared to theoretical results.