On the distribution of fragment sizes in the fragmentation of polymer chains

The fragmentation pattern of a single-step cleavage of a polymer is calcula ted using a simple model based on Transition State Theory to describe the d istribution of fragment sizes. Subsequent molecular fragmentations can be s imulated by repeated application of the model. The results for the fragment ation pattern are compared to those observed for molecular dynamics calcula tions performed at high temperatures. Calculated fragmentation pattern for a polymer with 100 units after 15 time steps with a 15% fragmentation rate at each timestep. The point at 100 mono mer units represents the residual of the parent peak after 15 successive fr actionations. [GRAPHICS]