STOCHASTIC-MODELS OF SPUR KINETICS IN WATER

In this paper we describe developments of the Independent Reaction Times model for simulation of nonhomogeneous kinetics, which permit the simulation of partially diffusion-controlled reactions and scavenging reactions. Previous calculations are refined using an improved cluster size distribution for liquid water. Two different methods are introduced for incorporating scavenging, which may not be fully diffusion-controlled. The method is applied to the pH dependence of product yields in a radiolysis system considered to consist of isolated spurs containing solvated electrons, protons and hydroxyl radicals. Qualitative agreement is found with the trends of experimental yields.