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  • 标题:Effects of slit width on water permeation through graphene membrane by molecular dynamics simulations
  • 本地全文:下载
  • 作者:Taro Yamada ; Ryosuke Matsuzaki
  • 期刊名称:Scientific Reports
  • 电子版ISSN:2045-2322
  • 出版年度:2018
  • 卷号:8
  • 期号:1
  • 页码:339
  • DOI:10.1038/s41598-017-18688-x
  • 语种:English
  • 出版社:Springer Nature
  • 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.
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