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    Multidimensional thermochemical cycles – Exploring three dimensions: Designer tool for estimation of the thermodynamics of reactions under varying conditions and for estimating elusive thermodynamic data

    199268_199268.pdf (1.089Mb)
    Access Status
    Open access
    Authors
    Glasser, Leslie
    Roobottom, H.
    Jenkins, H.D.
    Date
    2014
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Glasser, L. and Roobottom, H. and Jenkins, H.D. 2014. Multidimensional thermochemical cycles – Exploring three dimensions: Designer tool for estimation of the thermodynamics of reactions under varying conditions and for estimating elusive thermodynamic data. The Journal of Chemical Thermodynamics. 73: pp. 130-133.
    Source Title
    The Journal of Chemical Thermodynamics
    DOI
    10.1016/j.jct.2013.11.023
    ISSN
    0021-9614
    Remarks

    NOTICE: this is the author’s version of a work that was accepted for publication in Journal of Chemical Thermodynamics. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Chemical Thermodynamics, Vol. 73 (2014). DOI: 10.1016/j.jct.2013.11.023

    URI
    http://hdl.handle.net/20.500.11937/4345
    Collection
    • Curtin Research Publications
    Abstract

    Born–Haber–Fajans (BHF) thermochemical cycles describe links among different aspects of a chemical reaction at a common temperature and pressure, independent of the actual process of the reaction, and so provide methods for evaluation of otherwise missing information. We show that the standard two-dimensional BHF cycle can be extended to allow for consideration of temperature and pressure variation, using temperature changes for the reaction between HCl and Na as our illustrative example. Such extension provides possibilities of multiple interrelationships among contemplated states of the process of the reaction, so enhancing the related thermodynamic information. Although thermodynamics and kinetics do not necessarily coincide, it may be possible, utilizing such insights, to circumvent kinetically-disallowed steps in a chemical synthesis by choosing an alternative but thermodynamically favored route.

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