Monte Carlo Simulation of Radiation-Induced Solid State Polymerization

Abstract

This report is a continuation of former papers on the computer simulation of solid state polymerization processes using Monte Carlo methods. The first paper 1 considered a model of post-polymerization neglecting chain growth during the irradiation. In the second 2, a radiation-induced in-source solid state polymerization model was presented. Both these models were idealized descriptions of real, two-stage polymerization processes. It is the intention of this report to combine the two aforementioned models and examine the results obtained. When considering the process of solid state polymerization initiated by irradiation, two basic stages can be distinguished: (1) Formation of new active centres in the irradiated monomer sample and the simultaneous growth of polymeric chains. (2) Further growth of the chains after removing the sample from the source of radiation (postpolymerization). In both stages, the termination of chain growth occurs by the trapping of the macroradicals in the mass of the polymer. Such a formulation of the problem is the basis of the pseudostochastic model.