How Pore Hydrophilicity Influences Water Permeability?  

作　　者：Fang Xu Mingjie Wei Xin Zhang Yang Song Wei Zhou Yong Wang 

机构地区：[1]State Key Laboratory of Materials-Oriented Chemical Engineering,Jiangsu National Synergetic Innovation Center for Advanced Materials,and College of Chemical Engineering,Nanjing Tech University,Nanjing 211816,Jiangsu,China

出　　处：《Research》2019年第1期1173-1182,共10页研究（英文）

基　　金：Financial supports from the National Basic Research Program of China(2015CB655301);the National Key Research and Development Program of China(2017YFC0403902);the National Natural Science Foundation of China(21825803,21506091);the Jiangsu Natural Science Foundations(BK20150944,BK20150063)are acknowledged.We are grateful to the High Performance Computing Center of Nanjing Tech University and the National Supercomputing Center in Wuxi(Sunway Taihu Light)for supporting the computational resources.We also thank the Program of Excellent Innovation Teams of Jiangsu Higher Education Institutions and the Project of Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)for supports.

摘　　要：Membrane separation is playing increasingly important role in providing clean water.Simulations predict that membrane pores with strong hydrophobicity produce ultrahigh water permeability as a result of low friction.However,experiments demonstrate that hydrophilic pores favor higher permeability.Herein we simulate water molecules transporting through interlayers of twodimensional nanosheets with various hydrophilicities using nonequilibrium molecular dynamics.We reveal that there is a threshold pressure drop(ΔPT),exceeding which stable water permeability appears.Strongly hydrophobic pores exhibit extremely highΔPT,prohibiting the achievement of ultrahigh water permeability under the experimentally accessible pressures.Under pressures<ΔPT,water fows in hydrophobic pores in a running-stop mode because of alternative wetting and nonwetting,thus leading to signifcantly reduced permeability.We discover that hydrophilic modifcation to one surface of the nanosheet can remarkably reduceΔPT by>99%,indicating a promising strategy to experimentally realize ultrafast membranes.

关 键 词：EXCEEDING STRONGLY FRICTION 

分 类 号：TB3[一般工业技术—材料科学与工程]