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Computer Simulation in Chemical Physics pp 173–209Cite as

Computer Simulations in the Gibbs Ensemble

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Part of the book series: NATO ASI Series ((ASIC,volume 397))

Abstract

The Gibbs ensemble technique is an efficient method to study phase equilibria in a computer simulation. This Chapter gives an overview of this method. The focus is on the principles underlying the method, the practical aspects related to the implementation of the technique, and questions regarding the interpretation of the results.

The practical use of the method is illustrated with applications ranging from polar fluids to chain molecules. In particular, those systems are discussed which require special tricks and extend the range of applicability of the Gibbs method significantly.

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Author information

Authors and Affiliations

  1. Shell Research BV, Koninklijke/Shell-Laboratorium Amsterdam, Postbus 3003, 1003 AA, Amsterdam, The Netherlands

    B. Smit

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  1. B. Smit
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Editor information

Editors and Affiliations

  1. H.H. Wills Physics Laboratory, University of Bristol, Bristol, UK

    M. P. Allen

  2. Department of Chemistry, University of Southampton, Southampton, UK

    D. J. Tildesley

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© 1993 Springer Science+Business Media Dordrecht

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Smit, B. (1993). Computer Simulations in the Gibbs Ensemble. In: Allen, M.P., Tildesley, D.J. (eds) Computer Simulation in Chemical Physics. NATO ASI Series, vol 397. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-1679-4_6

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  • DOI: https://doi.org/10.1007/978-94-011-1679-4_6

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-4734-0

  • Online ISBN: 978-94-011-1679-4

  • eBook Packages: Springer Book Archive

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