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Dynamic Percolation Theory for Diffusion of Interacting Particles: Tracer Diffusion in a Multi-Component Lattice-Gas

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Large-Scale Molecular Systems

Part of the book series: NATO ASI Series ((NSSB,volume 258))

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Abstract

Dynamic percolation theory is used to obtain the tracer diffusion coefficient in multicomponent mixtures of “non interacting” lattice-gas (with only blocking interactions, i.e. double occupancy of a lattice site is forbidden) within the effective medium approximation (EMA). Our approach is based on regarding the background particles as a changing random environment for the tracer. The result is expressed in terms of local fluctuation time parameters, which we attempt to determine from the lattice-gas dynamics. Special attention is given to the single component and the binary mixture cases, were we compare two possible choices for these parameters. The resulting tracer diffusion coefficient for both choices compares well with numerical simulations whenever single bond dynamics and single bond EMA are expected to be reliable.

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© 1991 Plenum Press, New York

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Granek, R. (1991). Dynamic Percolation Theory for Diffusion of Interacting Particles: Tracer Diffusion in a Multi-Component Lattice-Gas. In: Gans, W., Blumen, A., Amann, A. (eds) Large-Scale Molecular Systems. NATO ASI Series, vol 258. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-5940-1_36

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  • DOI: https://doi.org/10.1007/978-1-4684-5940-1_36

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-5942-5

  • Online ISBN: 978-1-4684-5940-1

  • eBook Packages: Springer Book Archive

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