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Gaining Insight into the Structure and Dynamics of Clay–Polymer Nanocomposite Systems Through Computer Simulation

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Nanocomposites

Part of the book series: Electronic Materials: Science and Technology ((EMST,volume 10))

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Clay minerals belong to a wider class of solids known as layered materials, which may be defined as ‘crystalline materials wherein the atoms in the layers are cross-linked by chemical bonds, while the atoms of adjacent layers interact by physical forces’ [1]. Both clay sheets and interlayer space have one dimension in the nanometre range. Cationic clays are the predominant naturally occurring minerals with aluminosilicate sheets carrying a negative charge. Therefore, the interlayer guest species are positively charged to compensate the layer charge [2]. In anionic clays, also known as layered double hydroxides (LDHs), the interlayer guest species carry a negative charge and the inorganic mixed metal hydroxide sheets are positively charged. In recent times, there has been a growing interest in anionic clays, although initial attention was focussed almost exclusively on the cationic clay materials. Reviews have appeared that often emphasise interesting properties and the use of experimental techniques to determine or at least infer the local structure of the clay sheet or intercalated material [3–5]. However, clays are polycrystalline materials and precise experimental location of interlayer species is extremely difficult.

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Authors and Affiliations

  1. Université de Provence, UMR 6121 CNRS, F- 13397, Marseille, France

    Pascal Boulet

  2. Centre for Applied Marine Sciences, School of Ocean Sciences, University of Wales, LL59 5Ab, Anglesey, UK

    H. Christopher Greenwell & Rebecca M. Jarvis

  3. Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1WE, Cambridge, UK

    William Jones

  4. Centre for Computational Science and Department of Chemistry, University College of London, 20 Gordon Street, WC1H 0AJ, London, UK

    Peter V. Coveney

  5. Department of Earth Sciences, University College of London, Gower Street, WC1E 6BT, London, UK

    Stephen Stackhouse

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  1. Pascal Boulet
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  1. Université de Provence, UMR 6121 CNRS, F- 13397, Marseille, France

    Philippe Knauth

  2. Delft Institute for Sustainable Energy, 5045, 2600 GA, Delft, Netherlands

    Joop Schoonman

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Boulet, P., Greenwell, H.C., Jarvis, R.M., Jones, W., Coveney, P.V., Stackhouse, S. (2008). Gaining Insight into the Structure and Dynamics of Clay–Polymer Nanocomposite Systems Through Computer Simulation. In: Knauth, P., Schoonman, J. (eds) Nanocomposites. Electronic Materials: Science and Technology, vol 10. Springer, Boston, MA. https://doi.org/10.1007/978-0-387-68907-4_5

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