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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 562-564Developing Coarse-Grained Force Fields of Poly...

Developing Coarse-Grained Force Fields of Poly (methylmethacrylate-b-2-vinylpyridine) from Atomistic Simulation

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Abstract:

A coarse-grained force field for poly (methylmethacrylate-b-2-vinyl pyridine) is developed based on the Iterative Boltzmann Inversion method. The proposed coarse-grained model, successfully reproduced the properties of the polymer melts obtained from atomistic simulations, may provide an efficient way to study their mechanical properties and self-assembly behaviors.

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Periodical:

Advanced Materials Research (Volumes 562-564)

Pages:

123-128

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.562-564.123

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Online since:

August 2012

Authors:

Bo Du, Zi Lu Wang, Xue Hao He

Keywords:

Coarse-Grained, PMMA, PMMA-b-PVP, PVP

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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