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    Exploring the influence of organic species on pre- and post-nucleation calcium carbonate

    249417_67161_FaradayDiscussions_DOLLOP_2012_revised.pdf (1.914Mb)
    Access Status
    Open access
    Authors
    Raiteri, Paolo
    Demichelis, Raffaella
    Gale, Julian
    Kellermeier, M.
    Gebauer, D.
    Quigley, D.
    Wright, L.
    Walsh, T.
    Date
    2012
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Raiteri, P. and Demichelis, R. and Gale, J. and Kellermeier, M. and Gebauer, D. and Quigley, D. and Wright, L. et al. 2012. Exploring the influence of organic species on pre- and post-nucleation calcium carbonate. Faraday Discussions. 159: pp. 61-85.
    Source Title
    Faraday Discussions
    DOI
    10.1039/C2FD20052J
    ISSN
    0301-7249
    School
    Nanochemistry Research Institute
    URI
    http://hdl.handle.net/20.500.11937/49323
    Collection
    • Curtin Research Publications
    Abstract

    Organic additives are well known to influence the nucleation and growth of minerals. A combination of experimental and theoretical methods has been used to probe how three simple additives, containing varying numbers of carboxylate groups, influence the early stages of the growth of calcium carbonate. Computationally, the free energy landscape has been examined for each additive binding to Ca2+, the calcium carbonate ion pair, the surface of an amorphous calcium carbonate nanoparticle, and the basal plane of calcite. The different influence of the three organic ligands on the early stages of growth of calcium carbonate observed experimentally can be rationalised in terms of the degree of association of each anion with the species present prior to, and immediately after nucleation.

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