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SPECIAL SECTION: SIMULATION AND EXPERIMENTAL STUDIES AND APPLICATIONS OF CARBON NANOTUBES AND GRAPHENES IN ENGINEERING AND MEDICINE: Guest Editorial

Driving Forces and Transportation Efficiency in Water Transportation Through Single-Walled Carbon Nanotubes

[+] Author and Article Information
Meng Zi Sun

e-mail: mengzi.sun@monash.edu

Wen Hui Duan

e-mail: wenhui.duan@monash.edu
Department of Civil Engineering,
Monash University, Clayton,
Victoria 3800, Australia

Quan Wang

Department of Mechanical and
Manufacturing Engineering,
University of Manitoba,
Winnipeg, MB, R3T 5V6, Canada
e-mail: q_wang@umanitoba.ca

Martin Dowman

e-mail: mrdow4@student.monash.edu

Jayantha Kodikara

e-mail: jayantha.kodikara@monash.edu
Department of Civil Engineering,
Monash University, Clayton,
Victoria 3800, Australia

1Corresponding author.

Manuscript received May 2, 2012; final manuscript received June 8, 2012; published online September 24, 2012. Assoc. Editor: Quan Wang.

J. Nanotechnol. Eng. Med 3(2), 020904 (Sep 24, 2012) (5 pages) doi:10.1115/1.4007540 History: Received May 02, 2012; Revised June 08, 2012

Based on the concept of an energy pump, water transportation in a carbon nanotube (CNT) is studied by molecular dynamics simulations. The influences of CNT pretwist angle, water mass, environmental temperature, CNT diameter, CNT channel length, and CNT channel restrain condition on driving force and transportation efficiency are investigated. It is found that in order to initiate the transportation, the pretwist angle must be larger than certain threshold, 80 deg, for the case of one water molecule in a restrained (8,0) CNT. Furthermore, driving force decreases with increasing water mass and it is more efficient to transport multiple water molecules than one water molecules. The water molecule is found to have higher degrees of collisions in a (8,0) CNT in elevated environmental temperature. By comparing three CNT channel lengths, the channel length of 19.80 nm is identified as a faster and more efficient transporter in an unrestrained (8,8) CNT. Finally, molecular dynamics (MD) simulation indicates that a water molecule can only be transported below 300 K in an unrestrained (8,8) CNT due to the large friction caused by severely deformed channel and the Brownian motion.

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Figures

Grahic Jump Location
Fig. 1

An energy pump of a zigzag (8,0) CNT24: (a) nondeformed CNT; (b) deformed CNT. E1 and E2 are fixed, and a pretwisted angle, 135 deg, is applied to E1, which results in a torsion buckling of the pump. Once the restraint on E2 is removed, the potential energy stored in the pump will push the water molecule to travel along the CNT channel.

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