4.7 Article

Diagram of states and morphologies of flexible-semiflexible copolymer chains: A Monte Carlo simulation

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 144, Issue 24, Pages -

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.4946035

Keywords

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Funding

  1. DFG [PA 473/10-1]
  2. RFBR [13-03-91334-NNIO-a]
  3. Supercomputing Center of Lomonosov Moscow State University

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A single copolymer chain consisting of multiple flexible (F) and semiflexible (S) blocks has been studied using a continuum bead-spring model by Stochastic Approximation Monte Carlo simulations, which determine the density of states of the model. The only difference between F and S blocks is the intramolecular bending potential, all non-bonded interactions are equal. The state diagrams for this class of models display multiple nematic phases in the collapsed state, characterized through a demixing of the blocks of different stiffness and orientational ordering of the stiff blocks. We observe dumbbell-like morphologies, lamellar phases, and for the larger block lengths also Saturn-like structures with a core of flexible segments and the stiff segments forming a ring around the core. Published by AIP Publishing.

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