화학공학소재연구정보센터
Journal of Chemical Physics, Vol.112, No.24, 11069-11079, 2000
Self-organization of comblike copolymers with end-functionalized side chains: A cellular-automaton-based simulation
Using the cellular-automaton-based simulation technique, we study the processes of self-organization in the systems of comblike copolymers with strongly attracting groups located at the ends of side chains. It is found that at a certain critical association energy, dependent both on polymer volume fraction and on the chemical composition of the copolymers, a micellar phase is nucleated. For the combs with large linear grafting density, a weak extension of the macromolecules is observed as attraction between end groups is increased. We find that the micelle formation observed in the sufficiently dense systems is mainly a result of intermolecular association. From the analysis of the static structure factors and snapshot pictures, it is concluded that the system is spatially inhomogeneous on the intermediate length scales related to the average intermicellar distances. Strong attraction stabilizes the aggregates (multiplets) that serve as junction points of a temporary network (micellar gel). We observe the formation of a specific space-filling weblike network in which strongly attracting side-chain ends group into multiplets which are wrapped by neutral polymer sections connecting these multiplets.