期刊
MOLECULAR SIMULATION
卷 38, 期 10, 页码 781-785出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/08927022.2011.654205
关键词
carbon nanotubes; molecular dynamics; water flow; defects
资金
- UK by the Engineering and Physical Sciences Research Council [EP/F002467/1]
- Institution of Mechanical Engineers
- Royal Academy of Engineering
- Leverhulme Trust through a Senior Research Fellowship
- EPSRC [EP/F002467/1, EP/I011927/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/F002467/1, EP/I011927/1] Funding Source: researchfish
Non-equilibrium molecular dynamics simulations are performed to investigate how changing the number of structural defects in the wall of a (7,7) single-walled carbon nanotube (CNT) affects water transport and internal fluid dynamics. Structural defects are modelled as vacancy sites (missing carbon atoms). We find that, while fluid flow rates exceed continuum expectations, increasing numbers of defects lead to significant reductions in fluid velocity and mass flow rate. The inclusion of such defects causes a reduction in the water density inside the nanotubes and disrupts the nearly frictionless water transport commonly attributed to CNTs.
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