• 文献标题:   Effects of slit width on water permeation through graphene membrane by molecular dynamics simulations
  • 文献类型:   Article
  • 作  者:   YAMADA T, MATSUZAKI R
  • 作者关键词:  
  • 出版物名称:   SCIENTIFIC REPORTS
  • ISSN:   2045-2322
  • 通讯作者地址:   Tokyo Univ Sci
  • 被引频次:   1
  • DOI:   10.1038/s41598-017-18688-x
  • 出版年:   2018

▎ 摘  要

Graphene membranes can be used for nanoscale filtration to remove atoms and are expected to be used for separation. To realize high-permeability and high-filtration performance, we must understand the flow configuration in the nanochannels. In this study, we investigated the applicability of continuum-dynamics laws to water flow through a graphene slit. We calculated the permeability of the flow through a slit using classical molecular dynamics (MD) and compared the MD simulation results for different Knudsen numbers (Kn) to predictions based on the no-slip model and slip model. Consequently, the flow through the graphene nanoslit was treated as slip flow only in the range of Kn < 0.375. This study provides guidelines for the development of graphene filtration membranes.