Molecular Dynamics Simulation of Water Droplet Nucleation on Platinum Surface

摘要

A heterogeneous nucleation of water droplet on 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 with the constant temperature heat bath model using the phantom molecules. The water-platinum interaction was expressed by the potential proposed by Zhu and Philpott (1994). After the equilibrium condition at 500 K was obtained, temperature of the platinum surface was suddenly set to 300 K by Langevin method. The observed nucleation rate was compared to the classical heterogeneous nucleation theory.