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Title: Molecular Dynamics Simulation of Glass Transition Behavior of Polymer based Nanocomposites
Authors: Singh, P K
Sharma, K
Keywords: Glass Transition Temperature;Functionalized Graphene;Epoxy Resin;Molecular Dynamics Simulation
Issue Date: Oct-2018
Publisher: NISCAIR-CSIR, India
Abstract: Molecular Dynamics (MD) simulations were carried out to explore the effect of functionalization of graphene on the visco-elastic properties of epoxy based nanocomposites. Pristine graphene, graphene functionalized with amine (−NH2) group and carboxyl (−COOH) group respectively involved in this research. The simulation result shows that glass transition temperature (Tg ) of the graphene epoxy based nanocomposites are higher than that of pure epoxy. The computational findings of Tg agrees well with the experimental results. Thus, the present MD simulation study can serve as good computational evidence for the existing experimental results on the Tg of graphene epoxy composites.
Page(s): 592-595
ISSN: 0975-1084 (Online); 0022-4456 (Print)
Appears in Collections:JSIR Vol.77(10) [October 2018]

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