The study on interface characteristics near the metal wall by a molecular dynamics method

The condensation process of the multiple-atom and polar water molecular at a solid wall is studied. It is found that a monomolecular layer structure is existed on the wall surface and the intensity of solid-liquid potential can be revealed by the monomolecular density peak. At high-temperature conditions, liquid drop in vapor and bubble near wall can be observed. The solid-liquid potential energy on monomolecular layer structure has a greater impact than on gas-liquid interface. The simulated densities in the vapor region are consistent with the macroscopic values by refprop8.0, while in the liquid region the simulated densities are a bit lower than the macroscopic ones. Besides, the solid-liquid-gas three-phase model consisting of argon, water, freon and copper was constructed using Materials Studio software, and their interface characteristics are studied.