期刊
CHEMICAL PHYSICS LETTERS
卷 686, 期 -, 页码 173-177出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2017.08.022
关键词
Molecular dynamics; Carbon nanotubes; Diffusivity; Hydrogen bonding
资金
- National Natural Science Foundation of China [61102044]
- Science and Technology Plan Application Basis Projects of Sichuan Province, China [2014JY0108]
In this paper, molecular dynamics simulations were performed to investigate the transportation and hydrogen bonding dynamics of water confined in (6, 6) single-walled carbon nanotube (SWCNT) in the absence and presence of time-dependent pulse-field. The effects of pulse-field range from microwave to ultraviolet frequency on the diffusivity and hydrogen bonding of confined water were analyzed. The significant confinement effect due to the narrow space inside SWCNT was observed. (C) 2017 Published by Elsevier B.V.
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