Computer simulation of water desalination through boron nitride nanotubes

Physical Chemistry Chemical Physics : PCCP
Lijun LiangJianyang Wu

Abstract

Development of high-efficiency and low-cost seawater desalination technologies is critical to solving the global water crisis. Herein we report a fast water filtering method with high salt rejection by boron nitride nanotubes (BNNTs). The effect of the radius of BNNTs on water filtering and salt rejection was investigated by molecular dynamics (MD) simulation. Our simulation results demonstrate that fast water permeation and high salt rejection could be achieved by BNNT(7,7) under both high pressure and low pressure. The potential of mean force (PMF) of Na+ ion and water molecule through BNNT(7,7) further revealed the mechanism of seawater desalination by BNNT(7,7). Using BNNT(7,7) array, a 10 cm2 nanotube membrane with 1.5 × 1013 pores per cm2 will produce freshwater with a flow rate of 98 L per day per MPa under 100 MPa. Our study shows the potential application of BNNTs membrane for fast and efficient desalination.

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Citations

Jun 12, 2019·Physical Chemistry Chemical Physics : PCCP·Alexander KhrabryYevgeny Raitses
Mar 25, 2020·Physical Chemistry Chemical Physics : PCCP·Jing ZhangJia-Wei Shen
Nov 2, 2019·Scientific Reports·Jun Hee KimMyung Jong Kim
Jul 16, 2020·Physical Chemistry Chemical Physics : PCCP·You-Sheng YuHong-Ming Ding
Nov 13, 2019·Langmuir : the ACS Journal of Surfaces and Colloids·Akin Budi, Tiffany R Walsh
Sep 9, 2021·Langmuir : the ACS Journal of Surfaces and Colloids·Venkateswara R KodeGeyou Ao

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