摘要
海水淡化时间选择性原理是利用流固界面边界滑移来实现大孔径多孔石墨烯反渗透膜的高效脱盐。采用分子动力学方法,对旋转的多孔石墨烯反渗透模型施加电场,进一步调控多孔石墨烯-海水的边界滑移,探索力电耦合效应对多孔石墨烯脱盐性能的影响规律。结果表明,施加电场导致多孔石墨烯-海水的界面摩擦增大,供给端流固边界滑移速度减小。但重要的是,施加电场可以使多孔石墨烯反渗透膜的水通量较未施加电场时提升约12%,虽然此时盐离子截留率略有降低,但仍保持在90%以上。通过分析盐离子通过纳米孔的能障和水分子的平均氢键数,深入阐明了电场对多孔石墨烯时间维度脱盐性能的影响。
The temporal selectivity principle of desalination realizes the efficient desalination of porous graphene membranes with large pore size through fluid-solid interface boundary slip.Using the molecular dynamics method,an electric field is applied to the rotating porous graphene reverse osmosis model to further regulate the boundary slip between porous graphene and seawater,and to explore the influence of the electromechanical coupling effect on the desalination performance of porous graphene.The results show that the application of electric field increases the interfacial friction of porous graphene-seawater and decreases the slip velocity of fluid-solid boundary at the supply end.But importantly,the application of electric field can increase the water flux of porous graphene reverse osmosis membrane by about 12%compared with that without the application of electric field,when the salt rejection,though slightly reduced,still remains above 90%.In addition,by analyzing the energy barrier of salt ions passing through nanopores and the average hydrogen bonding number of water molecules,the influence of electric field on the temporal-dimension desalination performance of porous graphene was elucidated in depth.The results extend the application of temporal selectivity principle and will promote the engineering applications of nanoporous graphene membranes in the fields of seawater desalination and water treatment.
作者
顾浩
张福建
刘珍
周文轩
张鹏
张忠强
GU Hao;ZHANG Fujian;LIU Zhen;ZHOU Wenxuan;ZHANG Peng;ZHANG Zhongqiang(Institute of Intelligent Flexible Mechatronics,Jiangsu University,Zhenjiang 212013,Jiangsu,China;Jiangsu Collaborative Innovation Center of Photovoltaic Science and Engineering,Changzhou University,Changzhou 213164,Jiangsu,China;School of Naval Architecture and Ocean Engineering,Jiangsu University of Science and Technology,Zhenjiang 212013,Jiangsu,China;State Key Laboratory of Structural Analysis for Industrial Equipment,Dalian University of Technology,Dalian 116023,Liaoning,China)
出处
《化工学报》
EI
CSCD
北大核心
2023年第5期2067-2074,共8页
CIESC Journal
基金
国家自然科学基金项目(12272151,92248301)。
关键词
脱盐
膜
分子模拟
时间维度选择性
多孔石墨烯
力电耦合
desalination
membrane
molecular simulation
temporal selectivity
porous graphene
mechanical electrical coupling
