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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] (Scholars:李金宇)

Indexed by:

EI Scopus SCIE

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.

Keyword:

Desalination Hexagonal boron nitride Molecular dynamics Nanoslit Permeable membrane

Community:

  • [ 1 ] [Liu, Lin]Fuzhou Univ, Coll Chem, Fuzhou 350002, Peoples R China
  • [ 2 ] [Liu, Yichang]Fuzhou Univ, Coll Chem, Fuzhou 350002, Peoples R China
  • [ 3 ] [Qi, Yingying]Fuzhou Univ, Coll Chem, Fuzhou 350002, Peoples R China
  • [ 4 ] [Song, Meiru]Fuzhou Univ, Coll Chem, Fuzhou 350002, Peoples R China
  • [ 5 ] [Li, Jinyu]Fuzhou Univ, Coll Chem, Fuzhou 350002, Peoples R China
  • [ 6 ] [Jiang, Lizhi]Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China
  • [ 7 ] [Fu, Gang]Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China

Reprint 's Address:

  • 李金宇

    [Li, Jinyu]Fuzhou Univ, Coll Chem, Fuzhou 350002, Peoples R 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 Discipline: CHEMISTRY;

ESI HC Threshold:160

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 27

SCOPUS Cited Count: 31

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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