Molecular dynamics simulation of interphase transport at liquid surfaces

Molecular dynamics computer simulations were carried out to investigate transport phenomena near liquid-vapor interfaces. The phenomena examined were: (1) the evaporation-condensation dynamics of pure substances (argon and water) in a wide range of temperature; (2) the evaporation-condensation dynamics of water molecules through a surface-adsorbed methanol layer; and (3) the dynamics of gas (CO2 and SO2) absorption on a water surface. Various dynamic phenomena, e.g., molecular exchange and surface migration, were observed.