Self-assembly of bottlebrush copolymers in solution: From molecular dynamics simulation to machine learning
발표자
김용주 (고려대학교)
연구책임자
김용주 (고려대학교)
초록
내용
In this study, we present extensive dissipative particle dynamics simulation studies of bottlebrush copolymers in solution having different grafting sequences: block and random. Distinct morphology of the grafting sequence-controlled bottlebrush copolymer micelles is investigated through backbone chain distribution along with the micelle structure. We further quantify the dependence of the micelles on the length scale of the backbone chain and side chain using the scaling relationship. Also, the experimental scaling of BBCP and BRCP micelles in water shows consistent results of the sequence-dependent scaling exponents calculated by simulation. This work reveals the scaling behavior of the sequence-controlled graft copolymer micelles which potentially guides how one can modify the solution self-assembled complex micelles by controlling architecture and structure parameters of the bottlebrush copolymer.