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.

Copyright © 2012 by ASME
Your Session has timed out. Please sign back in to continue.


Supple, S., and Quirke, N., 2003, “Rapid Imbibition of Fluids in Carbon Nanotubes,” Phys. Rev. Lett., 90(21), p. 214501. [CrossRef] [PubMed]
Ito, T., Sun, L., Henriquez, R. R., and Crooks, R. M., 2004, “A Carbon Nanotube-Based Coulter Nanoparticle Counter,” Acc. Chem. Res., 37(12), pp. 937–945. [CrossRef] [PubMed]
Ito, T., Sun, L., Henriquez, R. R., and Crooks, R. M., 2005, “A Carbon Nanotube-Based Coulter Nanoparticle Counter,” Acc. Chem. Res., 38(8), pp. 687–687. [CrossRef]
Kalra, A., Hummer, G., and Garde, S., 2004, “Methane Partitioning and Transport in Hydrated Carbon Nanotubes,” J. Phys. Chem. B, 108(2), pp. 544–549. [CrossRef]
Thorsen, T., Maerkl, S. J., and Quake, S. R., 2002, “Microfluidic Large-Scale Integration,” Science, 298(5593), pp. 580–584. [CrossRef] [PubMed]
Thomas, J. A., and McGaughey, A. J. H., 2009, “Water Flow in Carbon Nanotubes: Transition to Subcontinuum Transport,” Phys. Rev. Lett., 102(18), p. 184502. [CrossRef] [PubMed]
Hanasaki, I., Yonebayashi, T., and Kawano, S., 2009, “Molecular Dynamics of a Water Jet From a Carbon Nanotube,” Phys. Rev. E, 79(4), p. 046307. [CrossRef]
Shiomi, J., and Maruyama, S., 2009, “Water Transport Inside a Single-Walled Carbon Nanotube Driven by a Temperature Gradient,” Nanotechnology, 20(5), p. 055708. [CrossRef] [PubMed]
Zuo, G., Shen, R., Ma, S., and Guo, W., 2010, “Transport Properties of Single-File Water Molecules Inside a Carbon Nanotube Biomimicking Water Channel,” ACS Nano, 4(1), pp. 205–210. [CrossRef] [PubMed]
Qiu, H., Shen, R., and Guo, W. L., 2011, “Vibrating Carbon Nanotubes as Water Pumps,” Nano Res., 4(3), pp. 284–289. [CrossRef]
Nicholls, W. D., Borg, M. K., Lockerby, D. A., and Reese, J. M., 2012, “Water Transport Through (7,7) Carbon Nanotubes of Different Lengths Using Molecular Dynamics,” Microfluid. Nanofluid., 12(1–4), pp. 257–264. [CrossRef]
Kalra, A., Garde, S., and Hummer, G., 2003, “Osmotic Water Transport Through Carbon Nanotube Membranes,” Proc. Natl. Acad. Sci. U.S.A., 100(18), pp. 10175–10180. [CrossRef] [PubMed]
Rivera, J. L., and Starr, F. W., 2010, “Rapid Transport of Water via a Carbon Nanotube Syringe,” J. Phys. Chem. C, 114(9), pp. 3737–3742. [CrossRef]
Duan, W. H., and Wang, Q., 2010, “Water Transport With a Carbon Nanotube Pump,” ACS Nano, 4(4), pp. 2338–2344. [CrossRef] [PubMed]
Rigby, D., Sun, H., and Eichinger, B. E., 1997, “Computer Simulations of Poly(Ethylene Oxide): Force Field, PVT Diagram and Cyclization Behaviour,” Polymer Int., 44(3), pp. 311–330. [CrossRef]
Sun, H., 1998, “Compass: An Ab Initio Force-Field Optimized for Condensed-Phase Applications—Overview With Details on Alkane and Benzene Compounds,” J. Phys. Chem. B, 102(38), pp. 7338–7364. [CrossRef]
Duan, W. H., Wang, Q., Liew, K. M., and He, X. Q., 2007, “Molecular Mechanics Modeling of Carbon Nanotube Fracture,” Carbon, 45(9), pp. 1769–1776. [CrossRef]
Wang, Q., Duan, W. H., Liew, K. M., and He, X. Q., 2007, “Inelastic Buckling of Carbon Nanotubes,” Appl. Phys. Lett., 90(3), p. 033110. [CrossRef]
Jones, J. E., 1924, “On the Determination of Molecular Fields. II. From the Equation of State of a Gas,” Proc. R. Soc. London, Ser. A, 106(738), pp. 463–477. [CrossRef]
Verlet, L., 1967, “Computer Experiments on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules,” Phys. Rev., 159(1), pp. 98–103. [CrossRef]


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.



Some tools below are only available to our subscribers or users with an online account.

Related Content

Customize your page view by dragging and repositioning the boxes below.

Related Journal Articles
Related eBook Content
Topic Collections

Sorry! You do not have access to this content. For assistance or to subscribe, please contact us:

  • TELEPHONE: 1-800-843-2763 (Toll-free in the USA)
  • EMAIL: asmedigitalcollection@asme.org
Sign In