期刊
COMPUTATIONAL MATERIALS SCIENCE
卷 89, 期 -, 页码 36-44出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.commatsci.2014.03.025
关键词
Carbon nanotube; Water transport; Defects; Nano-channel; Nano-fluid; Molecular dynamics
The transport characteristics of water molecules in carbon nanotubes (CNTs) is studied in this work using molecular dynamics simulation method. The effect of channel diameter, defects and the inter-layer spacing on the transport of water molecules is studied by subjecting the flow of water molecules through CNTs under pressure. The findings show that the efficiency of water transport in CNTs can be improved by deploying bigger SWCNTs. In addition defects in the nano-fluidic system will also reduce the transport efficiency of water molecules. Additionally, for the case of double walled CNTs (DWCNTs), it is found that the inter-layer spacing in a DWCNT has a significant influence on the rapid transport of water molecules. The transport characteristics of water molecules in CNTs have been systematically and comprehensively studied using the MD simulations and the discussions are presented in this paper. (C) 2014 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据