Star Polymers vs. Dendrimers: Studies of the Synthesis Based on Computer Simulations

A generic model was developed for studies of the polymerization process of regular branched macromolecules. Monte Carlo simulations were performed employing the Dynamic Lattice Liquid algorithm to study this process. A core-first methodology was used in a living polymerization of stars with up to 32 arms, and dendrimers consisted of 4-functional segments. The kinetics of the synthesis process for stars with different numbers of branches and dendrimers was compared. The size and structure of star-branched polymers and dendrimers during the synthesis were studied. The influence of the functionality of well-defined cores on the structure and on the dispersity of the system was also examined. The differences in the kinetics in the formation of both architectures, as well as changes to their structures, were described and discussed.

Automated summary

A generic model for studying the polymerization process of branched macromolecules was developed and Monte Carlo simulations were used to investigate the process. The synthesis kinetics, size, and structure of star-branched polymers and dendrimers were studied, as well as the influence of well-defined cores on the system's structure and dispersity.