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author:

Liu, Lin (Liu, Lin.) [1] | Liu, Yichang (Liu, Yichang.) [2] | Qi, Yingying (Qi, Yingying.) [3] | Song, Meiru (Song, Meiru.) [4] | Jiang, Lizhi (Jiang, Lizhi.) [5] | Fu, Gang (Fu, Gang.) [6] | Li, Jinyu (Li, Jinyu.) [7]

Indexed by:

EI

Abstract:

In this work, we investigate how nanoporous hexagonal boron nitride (hBN) membrane can achieve efficient water/ion separation using molecular dynamics simulations. In particular, it is interesting to figure out the transport mechanisms through slit-like orifices with different edge patterns, namely armchair, B-edged, and N-edged. It is observed that the water and ion conduction rates are sensitive to the edge patterns, which is attributed to the intriguing electrostatic interactions between hBN and solution particles. The armchair nanoslits barely discriminate ion from water molecules, whereas the nanoslits edged with zigzag patterns collaboratively impede ion permeation and allow fast water conduction. Our simulations not only support that hBN is a promising candidate for the development of permeable membrane for water desalination but also highlight the importance of nanoslit edge pattern. Together, this work will be helpful for the design of permeable membrane in the future. © 2020 Elsevier B.V.

Keyword:

Biophysics Boron nitride Desalination III-V semiconductors Ions Molecular dynamics Molecules Nanostructures Nitrides Water filtration

Community:

  • [ 1 ] [Liu, Lin]College of Chemistry, Fuzhou University, Fuzhou; 350002, China
  • [ 2 ] [Liu, Yichang]College of Chemistry, Fuzhou University, Fuzhou; 350002, China
  • [ 3 ] [Qi, Yingying]College of Chemistry, Fuzhou University, Fuzhou; 350002, China
  • [ 4 ] [Song, Meiru]College of Chemistry, Fuzhou University, Fuzhou; 350002, China
  • [ 5 ] [Jiang, Lizhi]State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen; 361005, China
  • [ 6 ] [Fu, Gang]State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen; 361005, China
  • [ 7 ] [Li, Jinyu]College of Chemistry, Fuzhou University, Fuzhou; 350002, China

Reprint 's Address:

  • [li, jinyu]college of chemistry, fuzhou university, fuzhou; 350002, china

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Source :

Separation and Purification Technology

ISSN: 1383-5866

Year: 2020

Volume: 251

7 . 3 1 2

JCR@2020

8 . 2 0 0

JCR@2023

ESI HC Threshold:160

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 34

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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