How Pore Hydrophilicity Influences Water Permeability?
Fang Xu,
Mingjie Wei,
Xin Zhang,
Yang Song,
Wei Zhou,
Yong Wang
Affiliations
Fang Xu
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
Mingjie Wei
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
Xin Zhang
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
Yang Song
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
Wei Zhou
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
Yong Wang
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
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 two-dimensional 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 high ΔPT, prohibiting the achievement of ultrahigh water permeability under the experimentally accessible pressures. Under pressures 99%, indicating a promising strategy to experimentally realize ultrafast membranes.
