Air separation by single wall carbon nanotubes: Mass transport and kinetic selectivity

The Journal of Chemical Physics
Gaurav Arora, Stanley I Sandler

Abstract

Mass transport of pure nitrogen, pure oxygen, and their mixture (air) has been studied at 100 K in a single wall carbon nanotube of 12.53 A diameter. Phenomenological coefficients, and self- and corrected diffusivities are calculated using molecular-dynamics simulations, and transport diffusivities are obtained by combining these results with thermodynamic factors obtained from previous grand canonical Monte Carlo simulations [G. Arora and S. I. Sandler, J. Chem. Phys. 123, 044705 (2005)]. For mixtures, cross-term diffusion coefficients are found to be of similar order of magnitude as main-term diffusion coefficients over the entire range of pressure studied. These results are then combined with a continuum description of mass transport to determine the ideal and kinetic separation factors for a nanotube membrane. High permeances are observed for both pure components and the mixture inside the nanotubes. The concentration profiles, diffusivity profiles, and membrane fluxes are calculated, and it is demonstrated that by carefully adjusting the upstream and downstream pressures, a good kinetic selectivity can be achieved for air separation using single wall carbon nanotubes.

References

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Jun 24, 2004·Journal of the American Chemical Society·Haibin Chen, David S Sholl
Jul 14, 2004·Langmuir : the ACS Journal of Surfaces and Colloids·Gaurav AroraStanley I Sandler
Jul 23, 2004·The Journal of Chemical Physics·V P SokhanN Quirke
Dec 1, 2004·Langmuir : the ACS Journal of Surfaces and Colloids·Jianwen Jiang, Stanley I Sandler
Aug 13, 2005·The Journal of Chemical Physics·Gaurav Arora, Stanley I Sandler
Aug 25, 2005·Journal of the American Chemical Society·Jianwen Jiang, Stanley I Sandler

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Citations

Sep 24, 2015·Nanoscale· WinartoKenji Yasuoka
Nov 30, 2016·Physical Chemistry Chemical Physics : PCCP· WinartoKenji Yasuoka
Sep 1, 2007·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Chi-Yuan Cheng, Clifford R Bowers
May 28, 2008·Nanotechnology·Y J Lü, M Chen
Jul 10, 2019·Physical Chemistry Chemical Physics : PCCP· WinartoKenji Yasuoka
Oct 29, 2008·Langmuir : the ACS Journal of Surfaces and Colloids·D S RawatA D Migone
Apr 16, 2009·The Journal of Physical Chemistry. B·Ling Liu, Xi Chen
Feb 11, 2015·Langmuir : the ACS Journal of Surfaces and Colloids·Song LiPeter T Cummings
Oct 20, 2007·Journal of the American Chemical Society·Chi-Yuan Cheng, Clifford R Bowers
May 3, 2006·Langmuir : the ACS Journal of Surfaces and Colloids·Gaurav Arora, Stanley I Sandler
Feb 3, 2007·Nano Letters·Gaurav Arora, Stanley I Sandler

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