Sieving of H2 and D2 through end-to-end nanotubes

Dasgupta, Devagnik, Searles, Debra J., Rondoni, Lamberto and Bernardi, Stefano (2014) Sieving of H2 and D2 through end-to-end nanotubes. Communications in Theoretical Physics, 62 4: 541-549. doi:10.1088/0253-6102/62/4/11

Author Dasgupta, Devagnik
Searles, Debra J.
Rondoni, Lamberto
Bernardi, Stefano
Title Sieving of H2 and D2 through end-to-end nanotubes
Formatted title
Sieving of H2 and D2 through end-to-end nanotubes
Journal name Communications in Theoretical Physics   Check publisher's open access policy
ISSN 0253-6102
Publication date 2014-10-01
Year available 2014
Sub-type Article (original research)
DOI 10.1088/0253-6102/62/4/11
Volume 62
Issue 4
Start page 541
End page 549
Total pages 9
Place of publication Bristol, United Kingdom
Publisher Institute of Physics Publishing
Collection year 2015
Language eng
Abstract We study the quantum molecular sieving of H2 and D2 through two nanotubes placed end-to-end. An analytic treatment, assuming that the particles have classical motion along the axis of the nanotube and are confined in a potential well in the radial direction, is considered. Using this idealistic model, and under certain conditions, it is found that this device can act as a complete sieve, allowing chemically pure deuterium to be isolated from an isotope mixture. We also consider a more realistic model of two carbon nanotubes and carry out molecular dynamics simulations using a Feynman-Hibbs potential to model the quantum effects on the dynamics of H2 and D2. Sieving is also observed in this case, but is caused by a different process.
Keyword Molecular sieving
Quantum sieving
Molecular dynamics simulation
Carbon nanotubes
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

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