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    Thermodynamic estimation: Ionic materials

    197184_197184.pdf (872.9Kb)
    Access Status
    Open access
    Authors
    Glasser, Leslie
    Date
    2013
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Glasser, Leslie. 2013. Thermodynamic estimation: Ionic materials. Journal of Solid State Chemistry. 206: pp. 139-144.
    Source Title
    Journal of Solid State Chemistry
    DOI
    10.1016/j.jssc.2013.08.008
    ISSN
    00224596
    Remarks

    NOTICE: this is the author’s version of a work that was accepted for publication in Journal of Solid State Chemistry. 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 Solid State Chemistry, Vol. 206 (2013). DOI: 10.1016/j.jssc.2013.08.008

    URI
    http://hdl.handle.net/20.500.11937/40377
    Collection
    • Curtin Research Publications
    Abstract

    Thermodynamics establishes equilibrium relations among thermodynamic parameters (“properties”) and delineates the effects of variation of the thermodynamic functions (typically temperature and pressure) on those parameters. However, classical thermodynamics does not provide values for the necessary thermodynamic properties, which must be established by extra-thermodynamic means such as experiment, theoretical calculation, or empirical estimation.While many values may be found in the numerous collected tables in the literature, these are necessarily incomplete because either the experimental measurements have not been made or the materials may be hypothetical. The current paper presents a number of simple and relible estimation methods for thermodynamic properties, principally for ionic materials. The results may also be used as a check for obvious errors in published values.The estimation methods described are typically based on addition of properties of individual ions, or sums of properties of neutral ion groups (such as “double” salts, in the Simple Salt Approximation), or based upon correlations such as with formula unit volumes (Volume-Based Thermodynamics).

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