Kou Jianlong, Yao Jun, Wu Lili, Zhou Xiaoyan, Lu Hangjun, Wu Fengmin, Fan Jintu
State Key Laboratory of Heavy Oil Processing, and School of Petroleum Engineering, China University of Petroleum (East China), Qingdao 266580, China.
Institute of Condensed Matter Physics, and Zhejiang Province Key Laboratory of Solid State Optoelectronic Devices, Zhejiang Normal University, Jinhua 321004, China.
Phys Chem Chem Phys. 2016 Aug 10;18(32):22210-6. doi: 10.1039/c6cp01967f.
Finding a membrane with both high permeability and high salt rejection is very important for saline solution purification. Here, we report the performance of molybdenum disulfide (MoS2) membranes with nanoscale pores for saline solution purification via all-atom molecular dynamics simulations. It was found that the nanoporous two-dimensional MoS2 membrane can impede salt ions, while allowing highly efficient permeation of water molecules. By engineering the appropriate sizes of the nanopores within two-dimensional MoS2 membranes, their water permeability can be tens of times as high as that of conventional reverse osmosis membranes, while still maintaining a high salt rejection rate. These remarkable water permeability and salt rejection properties of the nanoporous monolayer MoS2 membranes are attributed to the formation of single chain hydrogen bonds, which link the water molecules within the nanopores and those at the immediate exteriors of the nanopores, causing significant reduction in the resistance of water molecules passing through the nanopores, which are small enough for any salt ions to pass through. Therefore such nanoporous monolayer MoS2 membranes have great potential for saline solution purification.
找到一种兼具高渗透性和高脱盐率的膜对于盐溶液净化非常重要。在此，我们通过全原子分子动力学模拟报告了具有纳米级孔隙的二硫化钼（MoS2）膜用于盐溶液净化的性能。研究发现，纳米多孔二维MoS2膜能够阻挡盐离子，同时允许水分子高效渗透。通过设计二维MoS2膜内纳米孔的合适尺寸，其水渗透率可比传统反渗透膜高数十倍，同时仍保持较高的脱盐率。纳米多孔单层MoS2膜这些显著的水渗透性和脱盐性能归因于单链氢键的形成，这些氢键将纳米孔内的水分子与纳米孔紧邻外部的水分子相连，导致水分子通过纳米孔的阻力显著降低，而纳米孔小到任何盐离子都无法通过。因此，这种纳米多孔单层MoS2膜在盐溶液净化方面具有巨大潜力。
