201 Molecular-mechanism-based Numerial Analysis of Diffusion and Coalescence Process in Clusters

Abstract

Cluster formation and disappearance (fracture) process is investigated by numerical simulation, in which theory of molecular-level mechanism is merged. Smoluchowski's equation about the density of cluster size distribution is solved both with ballistic model and with Brownian model. It is found that the most probable size of Brownian cluster is almost the same as that of ballistic cluster. Population of the most probable size, however, varys because of difference in kernel (reaction rate) evolution.