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A Predictive Coarse-Grained Model for Semiflexible Polymers in Specific Solvents

✍ Scribed by Sheng C. Shie; Cheng K. Lee; Chi C. Hua; Show A. Chen

Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
651 KB
Volume
19
Category
Article
ISSN
1022-1344

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✦ Synopsis

Abstract

A predictive CG model based on a conventional freely rotating chain was developed to describe semiflexible polymers on a relatively large length/time scale. Parameterization of the model requires only two material properties such as, the Kuhn length and coil density. The diameter of spherical “beads” employed in the model is used as an effective parameter that needs to be determined from preliminary data. Once determined for a particular solvent system, this parameter can then be used to model general solvent systems on a parameter‐free basis. Comparison with SANS data on dilute conjugated polymer solutions reveals that the CG polymer model can well describe material properties ranging from local rodlike segments to bulk interchain aggregates.

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