Water transport through the inward combined carbon nanotube

被引:1
作者
Wang, L. Y. [1 ]
Meng, X. W. [1 ]
机构
[1] China Univ Min & Technol, Sch Mat Sci & Phys, Xuzhou 221116, Peoples R China
基金
中国国家自然科学基金;
关键词
Carbon nanotube; Molecular dynamics simulations; Water molecules;
D O I
10.1016/j.chemphys.2022.111795
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
The structure of the carbon nanotube affects water transport greatly. However, there is little understanding of water transport through the inward combined carbon nanotube. Molecular dynamics simulations are adopted to investigate the properties of water molecules through the inward combined carbon nanotube in this article. We find that water unidirectional transport efficiency increases in the inward combined carbon nanotube unless water molecules cannot pass through the inward combined carbon nanotube. The occupancy of water molecules, the bidirectional water transfer rate, the unidirectional water transfer rate, the velocity, and the order parameter of water molecules in the inward carbon nanotube are dependent on the structure of the inward combined carbon nanotube. Our results pave the way for understanding the inward combined structure effect on the transport of water molecules.
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页数:5
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