Bidirectional water transport through non-straight carbon nanotubes

Kargar, S ; Sharif University of Technology | 2019

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  1. Type of Document: Article
  2. DOI: 10.1016/j.molliq.2018.11.144
  3. Publisher: Elsevier B.V , 2019
  4. Abstract:
  5. Natural nanochannels and those used for applied purposes are often several nanometers in diameter and have lengths up to micrometer scales. Since normally no pressure gradient, mechanical force or electrical field is exerted on fluids in these situations, the fluid flow within them is not single-file and can be bidirectional. For this reason, studying the behavior of bidirectional flows in the channels is of paramount importance. In this study, a comprehensive investigation on the straight and non-straight bidirectional water transfer through carbon nanotubes is conducted via extensive molecular dynamics simulations. The results indicate that by changing the length, the diameter and the bending angle of the nanotubes along with the water temperature, the water infiltration in the nanotubes can significantly surge in comparison with straight nanotubes. Non-straight nanotubes with the bending angle of 30° can increase the bidirectional water transfer rate by a factor of 8.48. This increase in the transfer rate is due to the Lennard-Jones potential change between water molecules and carbon atoms. This study, through examining four main characteristics of nanotubes, allows one to obtain a high-level rate of transfer by selecting an appropriate nanochannel and sheds light on the behavior of biological nanochannels that are often non-straight. The results are in complete agreement with the currently available results of other relevant studies
  6. Keywords:
  7. Bidirectional ; Carbon nanotube ; Molecular dynamics ; Non-straight ; Water ; Carbon nanotubes ; Flow of fluids ; Lennard-Jones potential ; Molecules ; Bi-directional flows ; Mechanical force ; Micrometer scale ; Molecular dynamics simulations ; Water infiltration ; Water temperatures ; Yarn
  8. Source: Journal of Molecular Liquids ; Volume 276 , 2019 , Pages 39-46 ; 01677322 (ISSN)
  9. URL: https://www.sciencedirect.com/science/article/abs/pii/S0167732218345100