Computer simulation of diffusion-controlled reactions in dispersions of spherical sinks

Li Hua Zheng, Yee C. Chiew

Research output: Contribution to journalArticle

85 Scopus citations


The diffusion-controlled reaction rate of dispersions of overlapping (fully penetrable) and nonoverlapping static sinks are determined through computer simulations. The diffusive or random-walk motions of the solutes are simulated in continuum space based on the first passage time probability distribution. This method yields accurate results for the reduced diffusion-controlled reaction rate k/ks where ks represents the dilute concentration Smoluchowski limit. Values of k/ks over a wide range of sink concentrations are obtained. These "exact" data are compared with a number of approximate theories. The merits and the regimes of validity of these theories are determined.

Original languageEnglish (US)
Pages (from-to)322-327
Number of pages6
JournalThe Journal of Chemical Physics
Issue number1
Publication statusPublished - Jan 1 1989


All Science Journal Classification (ASJC) codes

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

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