A remarkable enhancement of water molecules permeation across a combined carbon nanotube

School of Physical Science and Technology, China University of Mining and Technology - Xuzhou 221116, China

^(a) xwmeng@cumt.edu.cn (corresponding author)

Received: 11 August 2018
Accepted: 14 December 2018

Abstract

Transfer of single-file water molecules across a carbon nanotube in a nanoscale is critical in many applications. However, the transfer rate is very slow in a carbon nanotube with a small radius. In this article, a method is proposed to enhance the transfer rate of water molecules across a carbon nanotube with a small entrance radius. By molecular-dynamics simulations, the effect of a combined carbon nanotube on water permeation is studied. The maximal enhancement ratio can reach a value up to 20.52 when changing the type of a combined carbon nanotube. At the same time, the enhancement of water transfer across a combined carbon nanotube shows a monotonously increasing behavior. The LJ potential between a water molecule and a combined carbon nanotube is adopted to analyze the physical mechanism. These results are useful for designing high-flow water transfer rate devices and providing new insights into a combined carbon nanotube.