G050045 浸透膜表面近傍におけるNaCl水溶液の挙動に関する分子シミュレーション

抄録

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 in the vicinity of membrane surface. We thought that prompting transfer of salt ions inhibits the phenomena, and we calculated behavior of water molecules and salt ions by using molecular dynamics simulation. In this study, we discussed the effects of salinity, pressure and temperature on the diffusion of water molecules and salt ions. The results of the calculations are as follows. (l)At high salinity, the movement of water molecules and salt ions is small. (2)The diffusion of water molecules and salt ions isn't affected by pressure. (3)The diffusion coefficient of water molecules and salt ions becomes large with a rising temperature. (4)When the interaction between water molecules and solid atoms is weak, the movement of water molecules in vicinity of surface is greater than that in the bulk.