正渗透过程中纳米碳管膜的盐水通道行为-物理化学学报.PDF

物理化学学报(Wuli Huaxue Xuebao) 228 Acta Phys. ⁃Chim. Sin., 2011, 27(1) ：228-232 January [Article] 正渗透过程中纳米碳管膜的盐水通道行为 贾玉香* 李 燕 胡仰栋 ( 中国海洋大学化学化工学院, 山东青岛266100) 摘要： 以纳米碳管(CNT)仿生构筑正渗透(FO)膜, 采用分子动力学模拟的方法考察水和盐在由CNT(6,6)、 CNT(7,7)、CNT(8,8)、CNT(9,9)、CNT(10,10)、CNT(11,11) 等不同尺寸纳米碳管构筑膜中, 于2.5、3.75、5.0 mol ·L-1 等不同汲取液浓度下的传递行为. 纳秒级的模拟得到水分子在不同尺寸纳米碳管膜内的分布, 水通量 的变化以及盐截留等情况. 模拟结果表明, 由CNT(8,8)构筑的正渗透膜表现出优异的通水阻盐性能. 关键词： 正渗透; 膜分离; 脱盐; 纳米碳管; 分子动力学模拟 中图分类号： O648 Behavior of Carbon Nanotube Membranes as Channels of Salt and Water in Forward Osmosis Process JIA Yu-Xiang* LI Yan HU Yang-Dong (College of Chemistry and Chemical Engineering, Ocean University of China, Qingdao 266100, Shandong Province, P. R. China) Abstract ： We investigated the influence of carbon nanotube (CNT) size using CNTs including CNT(6,6), CNT(7,7), CNT(8,8), CNT(9,9), CNT(10,10), and CNT(11,11), and the influence of draw solution concentrations, such as 2.5, 3.75, and 5.0 mol ·L-1, on the permeation behaviors of salt and water molecules through the biomimetically manufactured forward osmosis (FO) membranes. Nanosecond- scale molecular dynamic simulations were carried out to obtain the relevant information, including the distributions of the water molecules, water flux, and salt permeation within the different CNT membranes. Simulation results show that the FO membrane incorporating CNT(8,8) can achieve the highest water flux and also the lowest salt permeation.