Hopping times of two hard disks diffusing in a channel

K. K. Mon, J. K. Percus

Research output: Contribution to journalArticle

Abstract

A finite difference method was used to solve numerically the multidimensional diffusion equation describing the time evolution of two hard disks diffusing in a narrow hard channel. The authors extract an estimate for the average time τhop needed for the disks to hop pass each other. For narrow channels near the hopping threshold, τhop diverges and is consistent with the scaling prediction of the transition state theory. This provides a much-needed rigorous benchmark to test an approximate solution to the diffusion problem.

Original languageEnglish (US)
Article number244704
JournalJournal of Chemical Physics
Volume125
Issue number24
DOIs
StatePublished - 2006

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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