• DocumentCode
    2224365
  • Title

    Quantum Mediated Reverse Kinetic Molecular Seiving in Microporous Materials

  • Author

    Kumar, A. V Anil ; Bhatia, Suresh K.

  • Author_Institution
    Div. of Chem. Eng., Queensland Univ., Brisbane, Qld.
  • fYear
    2006
  • fDate
    3-7 July 2006
  • Abstract
    We observe reverse kinetic molecular sieving of hydrogen and deuterium in zeolite Rho at low temperatures, when the quantum effects are incorporated via the Feynman-Hibbs approach. The diffusivities of confined fluids decrease when quantum effects are considered, in contrast to bulk fluids, which show an increase in self diffusivity. At low temperatures, the heavier isotope, deuterium, diffuses faster than hydrogen. The flux selectivity is sufficiently large to indicate potential for isotope separation using microporous materials.
  • Keywords
    deuterium; hydrogen; porous materials; Feynman-Hibbs; bulk fluids; deuterium; flux selectivity; hydrogen; isotope separation; microporous materials; molecular dynamics simulations; quantum effects; reverse kinetic molecular sieving; zeolite Rho; Computational modeling; Deuterium; Fluid dynamics; Hydrogen; Isotopes; Kinetic theory; Matter waves; Nanoporous materials; Shape; Temperature;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Nanoscience and Nanotechnology, 2006. ICONN '06. International Conference on
  • Conference_Location
    Brisbane, Qld.
  • Print_ISBN
    1-4244-0452-5
  • Electronic_ISBN
    1-4244-0452-5
  • Type

    conf

  • DOI
    10.1109/ICONN.2006.340705
  • Filename
    4143485