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    Equilibrium Properties of Dense Hydrogen Isotope Gases Based on the Theory of Simple Fluids

    Access Status
    Fulltext not available
    Authors
    Kowalczyk, Poitr
    MacElroy, J.
    Date
    2006
    Type
    Journal Article
    
    Metadata
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    Citation
    Kowalczyk, P. and MacElroy, J. 2006. Equilibrium Properties of Dense Hydrogen Isotope Gases Based on the Theory of Simple Fluids. Journal of Physical Chemistry B. 110 (30): pp. 14971-14975.
    Source Title
    Journal of Physical Chemistry B
    DOI
    10.1021/jp062593r
    ISSN
    1520-6106
    URI
    http://hdl.handle.net/20.500.11937/17937
    Collection
    • Curtin Research Publications
    Abstract

    We present a new method for the prediction of the equilibrium properties of dense gases containing hydrogen isotopes. The proposed approach combines the Feynman-Hibbs effective potential method and a deconvolution scheme introduced by Weeks et al. The resulting equations of state and the chemical potentials as functions of pressure for each of the hydrogen isotope gases depend on a single set of Lennard-Jones parameters. In addition to its simplicity, the proposed method with optimized Lennard-Jones potential parameters accurately describes the equilibrium properties of hydrogen isotope fluids in the regime of moderate temperatures and pressures. The present approach should find applications in the nonlocal density functional theory of inhomogeneous quantum fluids and should also be of particular relevance to hydrogen (clean energy) storage and to the separation of quantum isotopes by novel nanomaterials.

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