• 文献标题:   Unveiling the hydroxyl-dependent viscosity of water in graphene oxide nanochannels via molecular dynamics simulations
  • 文献类型:   Article
  • 作  者:   SUN CZ, ZHOU RF, ZHAO ZX, BAI BF
  • 作者关键词:   nanoconfined water, viscosity, graphene oxide, hydroxyl group, molecular dynamic
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:  
  • 被引频次:   7
  • DOI:   10.1016/j.cplett.2021.138808 EA JUN 2021
  • 出版年:   2021

▎ 摘  要

We present a molecular dynamics study on the viscosity of water confined in graphene oxide (GO) nanochannels, with a major consideration of its dependence on the density of hydroxyl groups on GO sheets. The results show that the anisotropic water viscosity exhibits a nonmonotonic variation with the density of hydroxyl groups, owing to the coupling interactions between water molecules and GO sheets and their relating momentum dissipation among water molecules within water layers, viscous friction among water layers. The calculated viscosity is consistent with the experimentally and numerically reported water viscosity in literature and the Eyring's absolute action theory.