Diffusion-Controlled Reactions Involving a Reactant with Two Reaction Sites:Evaluation of the Utility of Wilemski-Fixman Closure Approximation

摘要

By using two different computer simulation methods,of which one produces exact results while the other is based on the Wilemski-Fixman closure approximation,we evaluate the utility of closure approximation in calculating the rates of diffusion-controlled reactions involving a reactant with multiple reaction sites.We find that errors in the estimates of steady-state rate constants due to closure approximation are not so large.We thus propose an approximate analytic expression for the rate constant based on the closure approximation.