A Simple Stochastic Reaction Model for Heterogeneous Polymerizations.

Abstract

The stochastic reaction model (SRM) treats polymerization as a pure probability‐based issue, which is widely applied to simulate various polymerization processes. However, in many studies, active centers were assumed to react with the same probability, which cannot reflect the heterogeneous reaction microenvironment in heterogeneous polymerizations. Recently, we have proposed a simple SRM, in which the reaction probability of an active center is directly determined by the local reaction microenvironment. In this paper, we compared this simple SRM with other SRMs by examining living polymerizations with randomly dispersed and spatially localized initiators. The results confirmed that the reaction microenvironment plays an important role in heterogeneous polymerizations. This simple SRM provides a good choice to simulate various polymerizations.