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An Introduction to Molecular Heterogeneous Catalysis

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Catalytic Activation and Functionalisation of Light Alkanes

Part of the book series: NATO ASI Series ((ASHT,volume 44))

Abstract

Computer modelling is now an indispensable tool in modelling complex systems in both physical and biological sciences. Catalysis is proving to be an increasingly fruitful field for the application of these techniques, with notable recent contributions to the elucidation of structures — both local and long range — of complex microporous materials[1, 2, 3]; to the modelling of sorption and diffusion in catalytic systems[4, 5, 6]; to the understanding of reaction mechanisms[7, 8, 9] and to the modelling[10, 11, 12] and design[13] of templates for the synthesis of specific microporous architectures. These and other recent studies clearly demonstrate the rôle of computational methods in developing models which are of direct relevance to real catalytic systems and problems.

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Authors and Affiliations

  1. Davy Faraday Laboratory, The Royal Institution of Great Britain, 21 Albemarle Street, London, WIX 4BS, UK

    C. R. A. Catlow, R. G. Bell, J. D. Gale, D. W. Lewis, D. C. Sayle & P. E. Sinclair

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  1. C. R. A. Catlow
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Editors and Affiliations

  1. Leverhulme Centre for Innovative Catalysis, University of Liverpool, UK

    Eric G. Derouane

  2. Polish Academy of Sciences, Krakow, Poland

    Jerzy Haber

  3. Instituto Superior Técnico, Lisboa, Portugal

    Francisco Lemos  & Fernando Ramôa Ribeiro  & 

  4. Université de Poitiers, Poitiers, France

    Michel Guisnet

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Catlow, C.R.A., Bell, R.G., Gale, J.D., Lewis, D.W., Sayle, D.C., Sinclair, P.E. (1998). An Introduction to Molecular Heterogeneous Catalysis. In: Derouane, E.G., Haber, J., Lemos, F., Ribeiro, F.R., Guisnet, M. (eds) Catalytic Activation and Functionalisation of Light Alkanes. NATO ASI Series, vol 44. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-0982-8_8

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