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
1572-9494
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
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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