• 文献标题:   Slippage dynamics of confined water in graphene oxide capillaries
  • 文献类型:   Article
  • 作  者:   KALASHAMI HG, NEEKAMAL M, PEETERS FM
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW MATERIALS
  • ISSN:   2475-9953
  • 通讯作者地址:   Univ Antweipen
  • 被引频次:   1
  • DOI:   10.1103/PhysRevMaterials.2.074004
  • 出版年:   2018

▎ 摘  要

The permeation of water between neighboring graphene oxide (GO) flakes, i.e., 2D nanochannels, are investigated using a simple model for the GO membrane. We simulate the hydrophilic behavior of nanocapillaries and study the effect of surface charge on the dynamical properties of water flow and the influence of Na+ and Cl- ions on water permeation. Our approach is based on extensive equilibrium molecular dynamics simulations to obtain a better understanding of water permeation through charged nanochannels in the presence of ions. We found significant change in the slippage dynamics of confined water such as a profound increase in viscosity/slip length with increasing charges over the surface. The slip length decreases one order of magnitude (i.e., 1/30) with increasing density of surface charge, while it increases by a factor of 2 with ion concentration. We found that commensurability induced by nanoconfinement plays an important role on the intrinsic dynamical properties of water.