Collapse Transition of Cyclic Homopolymers and Block Copolymers

Collapse Transition of Cyclic Homopolymers and Block Copolymers In order to determine the structure of cyclic homopolymer and multiblock copolymer polymers (rings) at various solvent qualities (temperatures), an idealized model of macromolecules is developed and studied. All atomic details are suppressed and chains are represented as a sequence of identical beads embedded in a square lattice. A simple square‐well potential is used for polymer–polymer interactions in order to mimic the influence of nonselective solvent. An efficient Monte Carlo sampling algorithm using local and nonlocal changes of chain conformation as well as the Replica Exchange technique is used to sample the conformational space. Simulation results concerning the structure of globules formed at low temperature are discussed and compared with theoretical predictions. The influence of the arrangements of blocks in the chain on its structure in different temperatures is shown. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Macromolecular Theory and Simulations Wiley

Collapse Transition of Cyclic Homopolymers and Block Copolymers

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Publisher
Wiley Subscription Services, Inc., A Wiley Company
Copyright
© 2018 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
ISSN
1022-1344
eISSN
1521-3919
D.O.I.
10.1002/mats.201700089
Publisher site
See Article on Publisher Site

Abstract

In order to determine the structure of cyclic homopolymer and multiblock copolymer polymers (rings) at various solvent qualities (temperatures), an idealized model of macromolecules is developed and studied. All atomic details are suppressed and chains are represented as a sequence of identical beads embedded in a square lattice. A simple square‐well potential is used for polymer–polymer interactions in order to mimic the influence of nonselective solvent. An efficient Monte Carlo sampling algorithm using local and nonlocal changes of chain conformation as well as the Replica Exchange technique is used to sample the conformational space. Simulation results concerning the structure of globules formed at low temperature are discussed and compared with theoretical predictions. The influence of the arrangements of blocks in the chain on its structure in different temperatures is shown.

Journal

Macromolecular Theory and SimulationsWiley

Published: Jan 1, 2018

Keywords: ; ; ;

References

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