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

Full Paper: The fragmentation pattern of a single-step cleavage of a polymer is calculated using a simple model based on Transition State Theory to describe the distribution of fragment sizes. Subsequent molecular fragmentations can be simulated by repeated application of the model. The results for the fragmentation pattern are compared to those observed for molecular dynamics calculations performed at high temperatures. Calculated fragmentation pattern for a polymer with 100 units after 15 timesteps with a 15% fragmentation rate at each timestep. The point at 100 monomer units represents the residual of the parent peak after 15 successive fractionations.