Size effects in reactive circular site interactions

作者:Saddawi Salma*; Strieder William
来源:Journal of Chemical Physics, 2012, 136(4): 044518.
DOI:10.1063/1.3668312

摘要

The complete series solution for the reactant diffusion and reaction at two diffusion-controlled chemically reactive surface sites of radii a(1) and a(2), located in an inert plane an arbitrary center-to-center distance d apart, is presented. Rigorous, analytical forms are developed to calculate the site reaction rates in terms of the dimensionless intersite distance sigma [=d/(a(1) + a(2))] and the site radius ratio gamma (=a(1)/a(2)). Numerical simulation and approximate theoretical results from the recent literature are compared to the exact site reaction rates. While general agreement was noted over the ranges of gamma and sigma, significant errors in the Wilemski-Fixman-Weiss site rates were found at small gamma and sigma < 3.

  • 出版日期2012-1-28