One- and two-component bottle-brush polymers: simulations compared to theoretical predictions

Details One- and two-component bottle-brush polymers: simulations compared to theoretical predictions One- and two-component bottle-brush polymers: simulations compared to theoretical predictions

2007-05-08

arxiv.org/abs/0705.1124v1

Macromol. Theory & Simul. 16, 660 (2007)

Physics

Condensed Matter

Soft Condensed Matter

27pages, 33 figures

Scientific paper

Scaling predictions and results from self-consistent field calculations for bottle-brush polymers with a rigid backbone and flexible side chains under good solvent conditions are summarized and their validity and applicability is assessed by a comparison with Monte Carlo simulations of a simple lattice model. It is shown that under typical conditions, as they are also present in experiments, only a rather weak stretching of the side chains is realized, and then the scaling predictions based on the extension of the Daoud-Cotton blob picture are not applicable. Also two-component bottle brush polymers are considered, where two types (A,B) of side chains are grafted, assuming that monomers of different kind repel each other. In this case, variable solvent quality is allowed for, such that for poor solvent conditions rather dense cylinder-like structures result. Theories predict ``Janus Cylinder''-type phase separation along the backbone in this case. The Monte Carlo simulations, using the pruned-enriched Rosenbluth method (PERM) then are restricted to rather short side chain length. Nevertheless, evidence is obtained that the phase separation between an A-rich part of the cylindrical molecule and a B-rich part can only occur locally. The correlation length of this microphase separation can be controlled by the solvent quality. This lack of a phase transition is interpreted by an analogy with models for ferromagnets in one space dimension.

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