Barriers to superfast water transport in carbon nanotube membranes

Jens H. Walther, Konstantinos Ritos, Eduardo R. Cruz-Chu, Constantine M. Megaridis, Petros Koumoutsakos

Research output: Contribution to journalArticle

129 Citations (Scopus)

Abstract

Carbon nanotube (CNT) membranes hold the promise of extraordinary fast water transport for applications such as energy efficient filtration and molecular level drug delivery. However, experiments and computations have reported flow rate enhancements over continuum hydro-dynamics that contradict each other by orders of magnitude. We perform large scale molecular dynamics simulations emulating for the first time the micrometer thick CNTs membranes used in experiments. We find transport enhancement rates that are length dependent due to entrance and exit losses but asymptote to 2 orders of magnitude over the continuum predictions. These rates are far below those reported experimentally. The results suggest that the reported superfast water transport rates cannot be attributed to interactions of water with pristine CNTs alone.
LanguageEnglish
Pages1910-1914
Number of pages5
JournalNano Letters
Volume13
Issue number5
DOIs
Publication statusPublished - 12 Mar 2013

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Carbon Nanotubes
Carbon nanotubes
carbon nanotubes
membranes
Membranes
Water
water
continuums
asymptotes
augmentation
Drug delivery
entrances
Molecular dynamics
micrometers
delivery
drugs
flow velocity
Experiments
Flow rate
molecular dynamics

Keywords

  • carbon nanotrubes
  • molecular dynamics
  • super fast water transport

Cite this

Walther, J. H., Ritos, K., Cruz-Chu, E. R., Megaridis, C. M., & Koumoutsakos, P. (2013). Barriers to superfast water transport in carbon nanotube membranes. Nano Letters, 13(5), 1910-1914. https://doi.org/10.1021/nl304000k
Walther, Jens H. ; Ritos, Konstantinos ; Cruz-Chu, Eduardo R. ; Megaridis, Constantine M. ; Koumoutsakos, Petros. / Barriers to superfast water transport in carbon nanotube membranes. In: Nano Letters. 2013 ; Vol. 13, No. 5. pp. 1910-1914.
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Walther, JH, Ritos, K, Cruz-Chu, ER, Megaridis, CM & Koumoutsakos, P 2013, 'Barriers to superfast water transport in carbon nanotube membranes' Nano Letters, vol. 13, no. 5, pp. 1910-1914. https://doi.org/10.1021/nl304000k

Barriers to superfast water transport in carbon nanotube membranes. / Walther, Jens H.; Ritos, Konstantinos; Cruz-Chu, Eduardo R.; Megaridis, Constantine M.; Koumoutsakos, Petros.

In: Nano Letters, Vol. 13, No. 5, 12.03.2013, p. 1910-1914.

Research output: Contribution to journalArticle

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T1 - Barriers to superfast water transport in carbon nanotube membranes

AU - Walther, Jens H.

AU - Ritos, Konstantinos

AU - Cruz-Chu, Eduardo R.

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AU - Koumoutsakos, Petros

PY - 2013/3/12

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N2 - Carbon nanotube (CNT) membranes hold the promise of extraordinary fast water transport for applications such as energy efficient filtration and molecular level drug delivery. However, experiments and computations have reported flow rate enhancements over continuum hydro-dynamics that contradict each other by orders of magnitude. We perform large scale molecular dynamics simulations emulating for the first time the micrometer thick CNTs membranes used in experiments. We find transport enhancement rates that are length dependent due to entrance and exit losses but asymptote to 2 orders of magnitude over the continuum predictions. These rates are far below those reported experimentally. The results suggest that the reported superfast water transport rates cannot be attributed to interactions of water with pristine CNTs alone.

AB - Carbon nanotube (CNT) membranes hold the promise of extraordinary fast water transport for applications such as energy efficient filtration and molecular level drug delivery. However, experiments and computations have reported flow rate enhancements over continuum hydro-dynamics that contradict each other by orders of magnitude. We perform large scale molecular dynamics simulations emulating for the first time the micrometer thick CNTs membranes used in experiments. We find transport enhancement rates that are length dependent due to entrance and exit losses but asymptote to 2 orders of magnitude over the continuum predictions. These rates are far below those reported experimentally. The results suggest that the reported superfast water transport rates cannot be attributed to interactions of water with pristine CNTs alone.

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Walther JH, Ritos K, Cruz-Chu ER, Megaridis CM, Koumoutsakos P. Barriers to superfast water transport in carbon nanotube membranes. Nano Letters. 2013 Mar 12;13(5):1910-1914. https://doi.org/10.1021/nl304000k