Computer simulation of water desalination through boron nitride nanotubes

被引：31

作者：

Liang, Lijun ^{[1
]}

Li, Jia-Chen ^{[2
]}

Zhang, Li ^{[2
]}

Zhang, Zhisen ^{[3
]}

Shen, Jia-Wei ^{[4
]}

Li, Lihua ^{[1
]}

Wu, Jianyang ^{[3
]}

机构：

[1] Hangzhou Dianzi Univ, Coll Life Informat Sci & Instrument Engn, Hangzhou, Zhejiang, Peoples R China

[2] Zhejiang Sci Tech Univ, Dept Chem, Hangzhou, Zhejiang, Peoples R China

[3] Xiamen Univ, Res Inst Biomimet & Soft Matter, Dept Phys, Fujian Prov Key Lab Soft Funct Mat, Xiamen 361005, Peoples R China

[4] Hangzhou Normal Univ, Sch Med, Hangzhou 310016, Zhejiang, Peoples R China

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2017年 / 19卷 / 44期

基金：

中国国家自然科学基金;

关键词：

MOLECULAR-DYNAMICS; ION SELECTIVITY; CARBON; FUTURE; NANOMATERIALS; TRANSPORT; MEMBRANES; PURIFICATION; NANOPORES; EFFICIENT;

D O I：

10.1039/c7cp06230c

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 cm(2) nanotube membrane with 1.5 x 10(13) pores per cm(2) 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.

引用

页码：30031 / 30038

页数：8

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