Water transport within carbon nanotubes on a wave

被引:8
作者
Li, Jin-Yi
Wu, Zeng-Qiang
Xu, Jing-Juan [1 ]
Chen, Hong-Yuan
Xia, Xing-Hua [1 ]
机构
[1] Nanjing Univ, Sch Chem & Chem Engn, State Key Lab Analyt Chem Life Sci, Nanjing 210023, Jiangsu, Peoples R China
基金
中国国家自然科学基金;
关键词
MOLECULAR-DYNAMICS;
D O I
10.1039/c6cp05773j
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
Water molecules possess discontinuous properties in confined surroundings as compared to the bulk, their transport velocity shows a step change with the increase in the radius of hydrophobic carbon nanotubes (CNTs). Here, we report that the chain of water molecules in CNTs behaves as a "spring'' owing to hydrogen bonding. Thus, the transport of water molecules in confined systems proceeds as a wave motion with eigen frequencies in the terahertz region which is determined by the CNT size. Water velocities derived from molecular dynamics ( MD) fit well with the ones from finite element methods (FEM) on consideration of both the no-slip and slip boundary conditions for CNT diameters less than 1 nm and more than 1 nm, respectively. The present work helps clarify the features of mass and momentum transfers in confined surroundings, and provides perspectives for mass transfer applications.
引用
收藏
页码:33204 / 33210
页数:7
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