抄録
A water droplet in contact with a platinum surface was simulated by the molecular dynamics method. Water molecules were modeled with the SPC/E model and the platinum surface was represented by three layers of harmonic molecules. Two types of water-platinum pair potential functions were employed, one was developed by Spohr and Heinzinger (1998) and the other was proposed by Zhu and Philpott (1994). Even though the water droplet finally spread to a monolayer film on fcc (111) surface with S-H potential, a stable droplet structure on a monolayer film was realized with Z-P potential. The Contact angle drastically varied depending on the surface lattice structure, and was largest on fcc (100) surface.
