NDLI: Chain stiffness effect on the properties of topological polymer brushes and the penetration by free chains using MD simulation

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Chain stiffness effect on the properties of topological polymer brushes and the penetration by free chains using MD simulation

Content Provider	Scilit
Author	Lyu, Honghong Xu, Fuxian Merlitz, Holger Wu, Chen-Xu
Copyright Year	2018
Description	Journal: Journal of Physics Communications Molecular dynamic simulations are carried out to study the static and dynamic properties of topological polymer brushes by taking into account chain stiffness and their topological feature. It is found that chain stiffness plays an important role in topological polymer brushes, and there exists scaling laws for the radius of gyration against chain stiffness and topological feature, indicating that bending interaction is as important as topological constraint. An empirical $FENE$ force in terms of chain stiffness and topological features is also obtained by fitting related parameters. A simulation on the invasion of free polymer chains from environment into a ring polymer brush shows that under pressure, such kind of penetration depends largely on chain stiffness, in contrast to the minor influence of topological structure, which seems to be suppressed.
Related Links	http://iopscience.iop.org/article/10.1088/2399-6528/aaa50f/pdf
e-ISSN	23996528
DOI	10.1088/2399-6528/aaa50f
Journal	Journal of Physics Communications
Issue Number	1
Volume Number	2
Language	English
Publisher	IOP Publishing
Publisher Date	2018-01-01
Access Restriction	Open
Subject Keyword	Journal: Journal of Physics Communications Atomic, Molecular and Chemical Physics Condensed Matter Physics Simulation Molecular Polymer Brushes Chain Stiffness
Content Type	Text
Resource Type	Article

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