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Aggregation of several flexible-semiflexible block-copolymer chains: flat histogram Monte Carlo simulationтезисы доклада
- Авторы: Viktor Ivanov, Kruglova Ekaterina, Martemyanova Julia, Shakirov Timur, Paul Wolfgang
- Сборник: Book of abstracts 84. Annual Meeting of DPG and DPG Meeting of the Condensed Matter Section (SKM21), 27 September - 1 October 2021
- Тезисы
- Год издания: 2021
- Первая страница: CPP 6.18
- Последняя страница: CPP 6.18
- Аннотация: We study conformational properties of a single multi-block copolymer chain consisting of flexible (F) and semi-flexible (S) blocks with equal composition of F- and S-units and with different affinity to a solvent, as well as the aggregation of several such chains. We perform flat histogram Monte Carlo simulations based on the stochastic approxi- mation Monte Carlo (SAMC) algorithm. We use the two-dimensional density of states, which depends on the energy of intramolecular stiff- ness and on the energy of non-valence interactions. We present data on different non-trivial globular morphologies, including several structures with high orientational ordering of bonds. Pseudo-phase diagrams in variables temperature vs. stiffness parameter are presented for differ- ent values of the block length. We also present our recent results on the aggregation behaviour of several FS-block-copolymer chains and dis- cuss the possibility of shape-persistent aggregation of globules.
- Добавил в систему: Иванов Виктор Александрович