Simulation of self-assembling of star-like amphiphilic block copolymers
Dr. Anna Zarembo (Laboratory of Polymer Chemistry, University of Helsinki)

Coarse-grained computer simulations of star block copolymers were carried out to study complex structure formation in water solutions. Star diblock copolymers where inner block is hydrophobic and the outer block is hydrophilic polyelectrolyte were considered. The system was simulated with monovalent counterions in water solution. The effect of salt addition, changing pH and topology of copolymers on the process of micelles formation and their morphology was followed.

The system was considered as a model for PMMA-b-PAA star copolymers (poly(methyl methacrylate) core and poly(acrylic acid) shell) in aqueous solution which self-assemble into spherical and wormlike micelles at certain external conditions and length of blocks. The results of simulation were compared with experimental results and theoretical predictions made for this system using mean-field theory for diblock copolymers with one neural and one polyelectrolyte block in aqueous solution.