• 文献标题:   Water transport through graphene and MoS2 nanopores
  • 文献类型:   Article
  • 作  者:   LIU CJ, JIN YK, LI ZG
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-8979 EI 1089-7550
  • 通讯作者地址:   Hong Kong Univ Sci Technol
  • 被引频次:   3
  • DOI:   10.1063/1.5104309
  • 出版年:   2019

▎ 摘  要

In this work, pressure-driven water transport through graphene and molybdenum disulfide (MoS2) nanopores is investigated through molecular dynamics simulations. The dependence of water flow rate on the pore area and pressure drop is studied for various pore structures. Power-law relationships, Q proportional to A(alpha), with alpha ranging from 1.6 to 1.9 between the flow rate (Q) and the pore area (A), are found, while the flow rate increases linearly with increasing pressure drop. The transport results are explained by the diffusion coefficient and friction coefficient of water molecules through the nanopores, as well as the free energy barriers at the pores.