Aggregation of collapsed copolymer chains consisting of flexible and semi-flexible segments: A flat histogram Monte Carlo simulation
Statistical Physics, Nonlinear Dynamics, Complex Systems, Soft and Fluid Matter, Biological Physics
Final Report Abstract
The aggregation behavior of block copolymers composed of flexible and semi-flexible blocks is interesting in the area of bio-polymers as well as for synthetic materials. Building on a prior study of the structure formation in collapsed single chains, we have here analyzed the dimerisation of these chains using flat histogram Monte Carlo methods. In the regime of small stiffness as well as in the regime of high stiffness we find two central first-order pseudo phase transitions. At high temperatures we find – for the selected case of a symmetric solvent for the two block types - a simultaneous collapse and aggregation transition. At low temperature, the flexible and semi-flexible blocks demix. In between, we find further structural transtitions driven by the stiffnes of the semi-flexible block. This leads to structures like dumbbells or saturn-like globules which had already been found earlier for the single chain globules.
Publications
-
Diagrams of States of Single Flexible-Semiflexible Multi-Block Copolymer Chains: A Flat-Histogram Monte Carlo Study. Polymers, 11(5), 757.
Maltseva, Daria; Zablotskiy, Sergey; Martemyanova, Julia; Ivanov, Viktor; Shakirov, Timur & Paul, Wolfgang
