Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/16279
Title: Vibrating-charge-driven water pump controlled by the deformation of the carbon nanotube
Authors: Zhou, X
Wu, F
Kou, J
Nie, X
Liu, Y 
Lu, H
Issue Date: 2013
Publisher: American Chemical Society
Source: Journal of physical chemistry B, 2013, v. 117, no. 39, p. 11681-11686 How to cite?
Journal: Journal of physical chemistry B 
Abstract: The directed transport of water molecules in a single-walled carbon nanotube (SWNT) based on a ratchet effect is investigated by molecular dynamics simulations. The system is driven far away from thermal equilibrium by an additional deterministic perturbation of a vibrating charge, and the spatial inversion symmetry is broken by the continuous deformations of the SWNT. It is well-known that the water flux across a circular channel decreases when the channel is narrowed or deformed. However, our simulation results show that the water flux almost increases linearly within a deformation of 1.9 Å. There exists an optimized value of deformation at which the pumping capacity takes its maximum value. Moreover, the direction of transport even exhibits a change of sign with narrowing the carbon nanotube.
URI: http://hdl.handle.net/10397/16279
ISSN: 1520-6106
EISSN: 1520-5207
DOI: 10.1021/jp405036c
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