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Article overview
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Star polymers as unit cells for coarse-graining cross-linked networks | | Salim R. Maduar
; Taras Y. Molotilin
; Olga I. Vinogradova
; | | Date: |
6 Sep 2016 | | Abstract: | We present a bottom-up coarse-graining approach, suitable for star polymers
in a good solvent. Our concept is based on the calculation of their interaction
using centers of mass as effective coordinates instead of commonly assumed
central beads. The interaction free energy has been derived for star polymers
of any functionalities $f$ and degrees of polymerization $N$. The stars in the
solution or melt always repel each other, and their repulsion is shown to be a
sum of a long range Gaussian term, which reflects coronas overlap, and a
short-range interaction due to a random walk of ’dense’ core around the centers
of mass. The important difference of the network star polymers is their
bridging, that gives rise to attraction between them. The bridging attraction
can be described by a harmonic potential with the effective stiffness that
depends on $N$. We verify our scaling approach by using explicit computer
simulations. Our results provide a framework for a coarse-graining the
interaction between stars not only in solutions or melts, but also in
cross-linked networks. | | Source: | arXiv, 1609.1521 | | Services: | Forum | Review | PDF | Favorites | |
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