Dynamic bond percolation theory: A microscopic model for diffusion in dynamically disordered systems. I. Definition and one-dimensional case

Stephen D. Druger, A. Nitzan, Mark A Ratner

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245 Citations (Scopus)

Abstract

A dynamic bond percolation model is defined and studied. The model is intended to describe diffusion of small particles (ions, electrons) in a medium which is statistically disordered (as in ordinary bond percolation), but which is also undergoing dynamic rearrangement processes on a timescale short compared to the observation time. The model should be applicable to polymeric solid electrolytes, where the orientational motions of the polymer (which are responsible for configurational entropy) cause the dynamic motion of the medium (polymer) in which the small particles (alkali ions) diffuse. The model is characterized by three parameters: an average hopping rate w which appears in the master equation for hopping, a percentage of available bonds f, and a mean renewal time τ̄ren for dynamic motion of the medium to rearrange the assignments of closed and open bonds. We show that the behavior is always diffusive for observation times long compared to τ̄ ren, in agreement with experiment on polymeric solid electrolytes. We also derive a closed-form expression for the diffusion coefficient. For observation times smaller than the renewal time there is no diffusion, again in accord with the behavior of polymeric solid electrolytes below the glass transition temperature. The diffusion coefficient is a monotonically increasing function of the inverse renewal time and hence of the free volume, the configurational entropy, and the temperature.

Original languageEnglish
Pages (from-to)3133-3142
Number of pages10
JournalJournal of Chemical Physics
Volume79
Issue number6
Publication statusPublished - 1983

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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