Regensburg 2022 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 12: Poster 1

CPP 12.28: Poster

Monday, September 5, 2022, 18:00–20:00, P1

Aggregation of flexible-semiflexible multiblock-copolymers in a dilute solution: MD simulation — •Viktor Ivanov^1,2, Elizaveta Sidler², Julia Martemyanova², Timur Shakirov¹, and Wolfgang Paul¹ — ¹Martin-Luther-University Halle-Wittenberg, Institute of Physics, 06099, Halle, Germany — ²Moscow, Russia

We study aggregation of several regular multi-block copolymer chains in a dilute solution. Chains consist of flexible (F) and semi-flexible (S) blocks with equal composition of F- and S-units having different affinity to a solvent, which is poor for both components. We use coarse-grained MD simulation. Our main goal is to find conditions (values of model parameters) for a shape-persistent aggregation of globules with different non-trivial globular morphologies which are formed in poor solvent, including structures with high orientational ordering of S-blocks and with micro-segregation of S- and F-blocks. Stable aggregates of the following highly anisotropic morphologies have been obtained: "core-shell", "bundle", "dumbbell", "disk", worm-like micelles ("tubes"). The driving forces for formation of structured globules and their anisotropic aggregates are usual van-der-Walls interactions, block length and intramolecular stiffness (there are no specific interactions in our model). We acknowledge the financial support from RFBR (grant 19-53-12006-NNIO-a) and DFG (project PA 473/18-1) and thank Moscow State University Supercomputer Center for providing computational resources.