Quantum effect induced reverse kinetic molecular sieving in microporous materials

Kumar, A. V. Anil and Bhatia, Suresh K. (2005) Quantum effect induced reverse kinetic molecular sieving in microporous materials. Physical Review Letters, 95 24: 245901-245904. doi:10.1103/PhysRevLett.95.245901

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Author Kumar, A. V. Anil
Bhatia, Suresh K.
Title Quantum effect induced reverse kinetic molecular sieving in microporous materials
Journal name Physical Review Letters   Check publisher's open access policy
ISSN 0031-9007
Publication date 2005
Sub-type Article (original research)
DOI 10.1103/PhysRevLett.95.245901
Open Access Status File (Publisher version)
Volume 95
Issue 24
Start page 245901
End page 245904
Total pages 4
Editor Martin Blume
Place of publication College Pk
Publisher American Physical Society
Collection year 2005
Language eng
Subject C1
290603 Membrane and Separation Technologies
780102 Physical sciences
Abstract We report kinetic molecular sieving of hydrogen and deuterium in zeolite rho at low temperatures, using atomistic molecular dynamics simulations incorporating quantum effects via the Feynman-Hibbs approach. We find that diffusivities of confined molecules decrease when quantum effects are considered, in contrast with bulk fluids which show an increase. Indeed, at low temperatures, a reverse kinetic sieving effect is demonstrated in which the heavier isotope, deuterium, diffuses faster than hydrogen. At 65 K, the flux selectivity is as high as 46, indicating a good potential for isotope separation.
Keyword Physics, Multidisciplinary
Feynman-hibbs Approach
Carbon Nanotubes
Adsorption
Diffusion
Zeolites
Simulations
Transport
Methane
Temperature
Dependence
Q-Index Code C1

 
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Citation counts: TR Web of Science Citation Count  Cited 64 times in Thomson Reuters Web of Science Article | Citations
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Created: Wed, 15 Aug 2007, 06:29:10 EST