Figure 6 Mass distribution of polybutadiene considering three
catalytic sites.
Now comparing Figures 5 and 6, it can be seen that bimodality remains
present regardless of having more active centres. Again, there is an
increase in the expressive polydispersity index to 4.13 indicating that
the increase in the number of active centres is directly linked to the
widening of the molar mass distribution. Regarding the average molar
masses, \(M_{n}\) and \(M_{w}\) increased significantly compared to
simulations with one and two active centers, where the average molar
masses are in the order of 105. Finally, for
comparison purposes, the simulation with four active centres that are
shown in Figure 7.