• 文献标题:   Influence of electric fields on the efficiency of multilayer graphene membrane
  • 文献类型:   Article
  • 作  者:   KARGAR M, VARNAMKHASTI FK, LOHRASEBI A
  • 作者关键词:   water desalination, external electric field, graphene channel, molecular dynamics simulation
  • 出版物名称:   JOURNAL OF MOLECULAR MODELING
  • ISSN:   1610-2940 EI 0948-5023
  • 通讯作者地址:   Univ Isfahan
  • 被引频次:   5
  • DOI:   10.1007/s00894-018-3774-9
  • 出版年:   2018

▎ 摘  要

Multilayer graphene membranes could be considered as an efficient membrane in water desalination processes based on the reverse osmosis (RO) method. In this study, we designed multilayer graphene channels using the molecular dynamics (MD) simulation approach. The effects of different parameters, such as channel width and length, and the pressure on the operation of the designed channels were examined, in the absence and presence of electric fields with various amplitudes and directions. The results indicated that the ion separation and water flow through the channels were modified under the application of the electric fields. Additionally, it has been shown that salt rejection and water flow could be controlled by the channel's structural parameters mentioned above. The obtained results of this study at the molecular level can improve the knowledge of designing membranes for water purification processes.