• 文献标题:   Molecular Dynamics Simulation on the Orientation of Alkane Mixture on Graphene
  • 文献类型:   Article
  • 作  者:   LIU YF, YANG H, ZHANG H
  • 作者关键词:   alkane mixture, orientation, graphene, molecular dynamics simulation
  • 出版物名称:   CHEMICAL JOURNAL OF CHINESE UNIVERSITIESCHINESE
  • ISSN:   0251-0790
  • 通讯作者地址:   Tianjin Normal Univ
  • 被引频次:   2
  • DOI:   10.7503/cjcu20180097
  • 出版年:   2018

▎ 摘  要

The orientation of alkane mixtures on graphene was studied by molecular dynamics simulation. It has been found that the orientation is affected by the simulation temperature. The alkane chains are laid per-pendicular to the graphene at low temperature and parallel to the surface at high temperature. As the temperature increases, some of the shorter alkane chains will leave the mixture, and the number of these shorter alkane chains will gradually increase.