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Desalination Behaviour of Graphene Membrane with Crown Nanopores

SSRN, ISSN: 1556-5068
2023
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  • Usage
    162
    • Abstract Views
      137
    • Downloads
      25

Article Description

Herein, we indicate that the crown nanopore embedded in graphene could permit ultrafast water transport and effectively reject ions using molecular dynamics simulations. We demonstrate that the water permeation of the crown graphene nanopores was tens of times that of the original graphene nanopore and the water permeation in the multilayer crown graphene nanopores was also higher than the monolayer original graphene nanopores. To explore the reasons behind the superior performance of crown nanopores, we compared it with original graphene nanopores from perspectives including the dynamics, energy analysis, and first-principles density functional theory calculation, which confirmed that crown graphene membrane is an excellent candidate for seawater desalination membrane. In addition, the water permeability and selectivity could be regulated based on the pore sizes and shapes of the graphene nanopores. For crown graphene nanopores, a narrow nanopore allows more excellent water permeation and salt rejection than a round shape, contrary to the original graphene nanopore.

Bibliographic Details

Qing Li; Defeng Yang; Mengjiao Guan; Huiting Zhang; Mengmeng Cai; Qingzhi Liu; Jianan Xu

Elsevier BV

Multidisciplinary; Graphene crown nanopores; Desalination; Multilayer; Molecular simulation

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