Computer-aided chemistry can be used to predict and gain insight into the thermal degradation mechanisms of polymers in a fraction of the time it would take to perform the necessary experiments {879069} {865095} {862952} [a.117]. The computer-aided chemistry approach also often provides new insights into the mechanism of thermal decomposition and the formation of breakdown products that are unavailable by experimental techniques {793664}. Modelling the thermal degradation of a material is thus an important task for the understanding of the mechanisms occurring in the condensed phase {783421}. This ability to explore the relationship between a molecule s structure and its chemical and physical properties allows for a more systematic approach to the design of new processes and polymers with more desirable properties. Modelling all of the reactions would be necessary in order to simulate product distributions, but predicting thermal stability, in terms of the onset temperature observed in a TG experiment for instance, does not require simulating the entire degradation process. It is a matter of whether or not thermal degradation will start at a given temperature. Since none of the free-radical reactions can take place until after the bond homolysis step, the initiation reaction is the key to limiting thermal stability [a.11]. However, although numerical simulation based on degradation chemistry has some advantages, the major drawback of this technique is that it is time-consuming and requires relatively fast computers and a large amount of computer memory unless smartly implemented. In addition, implementation of this technique requires information associated with...