NDLI: Shape effect of nanochannels on water mobility

Content Provider	Springer Nature Link
Author	Nie, Guo Xi Wang, Yu Huang, Ji Ping
Copyright Year	2016
Abstract	Confinement can induce unusual behaviors of water. Inspired by the fabrication of carbon nanotubes with noncircular cross sections, we performed molecular dynamics simulations to investigate the mobilities of water confined in carbon nanochannels with circular, square, and equilateral triangular cross sections over a variety of dimensions. We find that water exhibits disparate mobilities across different types of channels below 0.796 nm$^{2}$. Notably, compared with the other two channels, water in equilateral triangular channels displays the greatest mobilities. Moreover, at 0.425 nm$^{2}$, different ordered structures are found in the three channels, and water inside the square channel exhibits an extremely low mobility. It is also found that above 0.796 nm$^{2}$, the mobilities along the tube axis of water converge to that of the bulk. These phenomena are understood by analyzing the structure, dynamics, and hydrogen bonding of water. Our work explores the mobilities of water across noncircular carbon nanochannels, which may expand the prospect of noncircular nanochannels in scientific studies and practical applications, such as desalination and drug delivery.
Starting Page	1
Ending Page	8
Page Count	8
File Format	PDF
ISSN	20950462
Journal	Frontiers of Physics
Volume Number	11
Issue Number	6
e-ISSN	20950470
Language	English
Publisher	Higher Education Press
Publisher Date	2016-06-10
Publisher Institution	Chinese Universities
Publisher Place	Beijing
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	molecular dynamics simulations mobility noncircular nanochannel water Atomic, Molecular, Optical and Plasma Physics Condensed Matter Physics Particle and Nuclear Physics Astronomy, Astrophysics and Cosmology
Content Type	Text
Resource Type	Article
Subject	Physics and Astronomy

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