Flow structure of water in carbon nanotubes: poiseuille type or plug-like?

The Journal of Chemical Physics
Itsuo Hanasaki, Akihiro Nakatani

Abstract

We have conducted molecular dynamics simulations of water flow in carbon nanotubes (CNTs) for (6,6) to (20,20) CNTs at a streaming velocity of 100 ms. The fluidized piston model (FPM) and the ice piston model (IPM) are employed to drive flow through the CNTs. The results show that the single-file water flow inside (6,6) CNT has a convex upward streaming velocity profile, whereas the velocity profiles in (10,10) to (20,20) CNTs are flat except near the tube wall. The flow structure of cylindrical water in the (8,8) CNT is intermediate between that for the (6,6) CNT and the larger CNTs. The flow parameters are found not to exhibit any dependence on streaming velocity at up to 300 ms in the (12,12) CNT. The hydrogen bond lifetimes of water flowing in CNTs tend to be longer than for the corresponding equilibrium states, and nonzero flow does not reduce the microscopic structure or structural robustness (hydrogen bond lifetime). Although the atomic density profile varies with tube diameter, reflecting the change in static microscopic structure of flow from single file to cylindrical, tube diameter does not induce a clear transition in streaming velocity, temperature, or hydrogen bond lifetime over this diameter range. The results su...Continue Reading

References

Mar 28, 1988·Physical Review Letters·J KoplikJ F Willemsen
Dec 6, 2001·Journal of the American Chemical Society·S A MillerC R Martin
Feb 8, 2002·Nature·Yihua Gao, Yoshio Bando
Aug 23, 2002·Physical Review Letters·Alexander Berezhkovskii, Gerhard Hummer
Jan 7, 2003·Physical Review Letters·Zugang Mao, Susan B Sinnott
Jan 18, 2003·Science·Shankar GhoshN Kumar
Jun 6, 2003·Physical Review Letters·David J Mann, Mathew D Halls
Jun 28, 2003·Biophysical Journal·Fangqiang Zhu, Klaus Schulten
Jul 25, 2003·Proceedings of the National Academy of Sciences of the United States of America·Amrit KalraGerhard Hummer
Dec 3, 2003·Science·Bruce J HindsLeonidas G Bachas
Jan 10, 2004·Applied Microbiology and Biotechnology·S J Lee, S Y Lee
Jul 13, 2004·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·J H WaltherP Koumoutsakos
Aug 3, 2004·Nature Materials·A SrivastavaP M Ajayan
Aug 25, 2004·Physical Review Letters·Alexander I KolesnikovChristian J Burnham
Jul 21, 2006·The Journal of Physical Chemistry. B·Pu LiuB J Berne

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Citations

Apr 16, 2011·Langmuir : the ACS Journal of Surfaces and Colloids·Baoxing XuXi Chen
Sep 26, 2013·Physical Chemistry Chemical Physics : PCCP·A Barati FarimaniN R Aluru
Jul 5, 2012·The Journal of Chemical Physics·Sridhar Kumar KannamPeter J Daivis
Jan 21, 2012·The Journal of Chemical Physics·Sridhar Kumar KannamPeter J Daivis
Mar 15, 2013·The Journal of Chemical Physics·Sridhar Kumar KannamPeter J Daivis
May 16, 2012·The Journal of Chemical Physics·Baoxing XuXi Chen
Mar 5, 2008·The Journal of Chemical Physics·J A Thomas, A J H McGaughey
Sep 28, 2013·The Journal of Chemical Physics·Hailong Liu, Guoxin Cao
Sep 15, 2012·Langmuir : the ACS Journal of Surfaces and Colloids·Kerstin FalkLydéric Bocquet
Mar 10, 2016·The Journal of Chemical Physics·Itsuo HanasakiSatoyuki Kawano
Jun 2, 2017·Langmuir : the ACS Journal of Surfaces and Colloids·Lang LiuSuresh K Bhatia
May 4, 2017·Physical Chemistry Chemical Physics : PCCP·Hassan Sabzyan, Maryam Kowsar
Aug 3, 2019·The Journal of Chemical Physics·Cecilia HerreroLaurent Joly
Jan 15, 2016·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Haruka YasuokaKazuhiko Suga
Apr 7, 2019·Scientific Reports·Mohamed Shaat, Yongmei Zheng
Jan 17, 2020·The Journal of Chemical Physics·Bruno H S MendonçaMarcia C Barbosa
Aug 15, 2014·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·A Moghimi Kheirabadi, A Moosavi
Feb 12, 2021·Langmuir : the ACS Journal of Surfaces and Colloids·Sobin AlosiousB D Todd
Jan 1, 2021·The Journal of Chemical Physics·Bruno H S MendonçaMarcia C Barbosa
Jun 13, 2009·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Itsuo HanasakiSatoyuki Kawano
Apr 27, 2011·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Ming D MaQuanshui Zheng
Jul 31, 2008·Nano Letters·John A Thomas, Alan J H McGaughey
Aug 30, 2008·Nano Letters·Xi ChenYu Qiao
Nov 5, 2008·Chemical Reviews·Alessio Alexiadis, Stavros Kassinos
Jun 18, 2021·Physical Review. E·Kazi Ehsanul Karim, BoHung Kim
Sep 15, 2011·The Journal of Physical Chemistry. B·A Barati Farimani, N R Aluru
Apr 21, 2020·The Journal of Physical Chemistry Letters·An ZouShalabh C Maroo
Jul 10, 2019·The Journal of Physical Chemistry Letters·Zheng LiJianlong Kou
Jan 15, 2008·Nano Letters·Sony Joseph, N R Aluru

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