Abstract
By using molecular dynamics simulation, we have investigated systematically the feasibility of continuous unidirectional water flux across a deformed single-walled carbon nanotube (SWNT) driven by an oscillating charge outside without osmotic pressure or hydrostatic drop. Simulation results indicate that the flux is dependent sensitively on the oscillating frequency of the charge, the distance of the charge from the SWNT, and the asymmetry of the water-SWNT system. A resonance-like phenomenon is found that the water flux is enhanced significantly when the period of the oscillation is close to twice the average hopping time of water molecules inside the SWNT. These findings are helpful in developing a novel design of efficient functional nanofluidic devices.
Original language | English |
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Article number | 174511 |
Journal | Journal of Chemical Physics |
Volume | 136 |
Issue number | 17 |
DOIs | |
Publication status | Published - 7 May 2012 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry