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    Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies

    Access Status
    Fulltext not available
    Authors
    Carter, Damien
    Ogden, Mark
    Rohl, Andrew
    Date
    2007
    Type
    Journal Article
    
    Metadata
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    Citation
    Carter, Damien, J. and Ogden, Mark and Rohl, Andrew. 2007. Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies. Journal of Physical Cnemistry C 111: 9283-9289.
    Source Title
    Journal of Physical Cnemistry C
    DOI
    10.1021/jp071177j
    Additional URLs
    http://pubs.acs.org/journals/jpccck/index.html
    Faculty
    Department of Applied Chemistry
    Division of Engineering, Science and Computing
    Faculty of Science
    Remarks

    Open access to this article will be available 12 months after publication via the website of the American Chemical Society. http://acswebcontent.acs.org/home.html

    The website for the Journal of Physical Chemistry C is available at:

    http://pubs.acs.org/journals/jpccck/index.html

    URI
    http://hdl.handle.net/20.500.11937/36638
    Collection
    • Curtin Research Publications
    Abstract

    Potassium sulfate crystals orient and overgrow 2-aminobenzenesulfonate (OSA), and many other sulfonated aromatic compounds, on particular facets during growth from solution. The energetics associated with adsorption of OSA and benzenesulfonate (BS) were calculated using both molecular mechanical and density functional methods, in order to assess the surface binding effectiveness of these compounds on various faces of potassium sulfate. It was found that both theoretical techniques predicted that OSA and BS bind to potassium sulfate to a similar extent. The surface binding capacities were also assessed experimentally by studying the growth rates of individual faces of K2SO4, with results showing similar findings to those from the computational studies.

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