G050094 分子動力学法を用いた水とNaClイオンの拡散の計算([G05009]流体工学部門一般セッション(9):数値解)

Abstract

Water shortage due to rising populations and economic development become a serious problem around the world in the 21st century. For this problem, reverse osmosis membrane method is useful technology to secure water resource. This method has a problem that separation performance falls with operating time. Concentration polarization and fouling may occur at the nearby surface of membrane. We thought that prompting transfer of salt ions inhibits the phenomena, and we calculated behaviors of salt ions in bulk water by using molecular dynamics simulation. In this study, we discussed the effects of pressure, temperature and shear action on the diffusion of salt ions. The results of the calculations are as follows. (1)The diffusion of salt ions isn't affected by pressure. (2)The diffusion of salt ions becomes high with a rising temperature. (3) Velocity gradient of shear direction become great with a rising shear velocity, so that it is expected that the diffusion of salt ions become high with shear action.