Vibrating-charge-driven water pump controlled by the deformation of the carbon nanotube

Xiaoyan Zhou, Fengmin Wu, Jianlong Kou, Xuanchuan Nie, Yang Liu, Hangjun Lu

Research output: Journal article publicationJournal articleAcademic researchpeer-review

22 Citations (Scopus)

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.
Original languageEnglish
Pages (from-to)11681-11686
Number of pages6
JournalJournal of Physical Chemistry B
Volume117
Issue number39
DOIs
Publication statusPublished - 3 Oct 2013

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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