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Solute-Solute Interactions: Theory and Simulations

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Supercritical Fluids

Part of the book series: NATO ASI Series ((NSSE,volume 273))

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Abstract

Asymptotic relations based on fluctuation theory predict that in dilute near-critical systems the solute-solute pair correlation function always decays to its bulk value from above. Integral equations are ideally suited for studying dilute systems, though not arbitrarily close to criticality. Calculations on Lennard-Jones attractive binaries show large first peaks in the solute-solute pair correlation function, the effect being more pronounced at sub-critical density. A molecular dynamics study of solute-solute collisions in a binary Lennard-Jones system shows no enhancements in the collision rate at near-critical conditions, contrary to recent suggestions.

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Author information

Authors and Affiliations

  1. Department of Chemical Engineering, Princeton University, Princeton, NJ, 08544-5263, USA

    Pablo G. Debenedetti

Authors
  1. Pablo G. Debenedetti
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Editor information

Editors and Affiliations

  1. Department of Chemical Engineering, University of Maine, Orono, Maine, USA

    Erdogan Kiran

  2. Thermophysics Division, National Institute of Standards and Technology, Gaithersburg, Maryland, USA

    Johanna M. H. Levelt Sengers

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© 1994 Springer Science+Business Media Dordrecht

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Debenedetti, P.G. (1994). Solute-Solute Interactions: Theory and Simulations. In: Kiran, E., Sengers, J.M.H.L. (eds) Supercritical Fluids. NATO ASI Series, vol 273. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-8295-7_17

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  • DOI: https://doi.org/10.1007/978-94-015-8295-7_17

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-90-481-4427-3

  • Online ISBN: 978-94-015-8295-7

  • eBook Packages: Springer Book Archive

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