Dissipative particle dynamics simulation study on complex structure transitions of vesicles formed by comb-like block copolymers

Vesicles are membrane-enclosed capsules that can store or transport substances. Their structures and the corresponding structural transitions are important to fulfill specific functions. Using dissipative particle dynamics method, we study the complex structure transitions of vesicles that are spontaneously formed by A6(B2)3 type comb-like block copolymers. In the simulations, the interaction parameters between different components are tuned to mimic the variations of amphiphilicity of the block copolymers and the selectivity of the solvent which are experimentally tractable by, for example, a temperature quench. Complex vesicle structures are found in this research; their transitions, such as fission and reversal, are studied in detail with this dynamic simulation method. We find that the line tension plays a decisive role on the vesicle fission pathways. Moreover, the tube-like vesicles tend to transform to a special layered micelle structure, whereas the onion-shape vesicles tend to transform to reverse onion-shape vesicles when vesicle reversal takes place due to the variation of solvent selectivity.