화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.125, No.1-2, 195-203, 1996
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.