物理化学学报2012，Vol.28Issue(3)：573-577,5.DOI:10.3866/PKU.WHXB201112191
以荷电化碳纳米管构筑正渗透膜用于海水淡化的分子动力学模拟
Molecular Dynamics Simulation of the Desalination of Sea Water by a Forward Osmosis Membrane Containing Charged Carbon Nanotubes
摘要
Abstract
Spurred by traditional membrane science in which a charged membrane can improve separation efficiency, a forward osmosis membrane containing charged "armchair-type" (8, 8) carbon nanotubes (CNTs) was developed and the transport phenomena of water molecules in this membrane were investigated. In the simulation, 0.5 mol·L-1 NaCI was chosen to mimic seawater, and 1 mol·L-1 MgCI2 was chosen as the draw solution. The effects of electric charge on the density distribution, diffusion of water molecules, and the water flux of the membrane were investigated in detail. Modifying the CNT membrane by charge significantly changes the density distribution, diffusion, and flux of water molecules. The membrane containing CNTs modified by -0.3e can achieve the highest water flux of those developed.关键词
正渗透/碳纳米管/荷电膜/分子动力学模拟/海水淡化Key words
Forward osmosis/Carbon nanotube/Charged membrane/Molecular dynamics simulation/Desalination of sea water分类
化学化工引用本文复制引用
李海兰,贾玉香,胡仰栋..以荷电化碳纳米管构筑正渗透膜用于海水淡化的分子动力学模拟[J].物理化学学报,2012,28(3):573-577,5.基金项目
国家自然科学基金(20806076)和山东省自然科学基金(ZR2011EMQ004)资助项目 （20806076）
