Molecular Dynamics Simulation of Interactions between a Nano Water Droplet and an Isothermal Platinum Surface

This present work investigates the interactions between a nano-water droplet and an isothermal platinum surface based on molecular dynamics simulations. The droplet is initially at some nano distance from the surface. The interactions between two water molecules are treated by the well-known TIP4P potential model, while the platinum surface is modeled by one layer of harmonic molecules with phantom atoms right below to control the temperature. The interactions between water molecules and platinum atom are treated by the S-H model. The simulations demonstrate various different physical processes including: contact, spreading, thin film evaporation and dryout, nucleation of vapor condensation, and agglomeration of clusters to form a single droplet. Effect of temperature and the initial distance between the droplet and surface are also explored. The simulations illustrate that the spreading radius is approximately proportional to the square root of time and the surface diffusion coefficient increases with increase in temperature.