Molecular Dynamic Simulation Study on Glass Transition Temperature of DGEBA-THPA-SWCNTs CompositesReport as inadecuate




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Molecular dynamic MD simulations were carried out to predict the thermo-mechanicalproperties of the cured epoxy network composed of diglycidyl ether bisphenol A DGEBAepoxy resin and tetrahydrophthalic anhydride THPA curing agent and theirsingle-walled carbon nanotubes SWCNTreinforced the epoxy matrix composites.Different characters such as the density of the materials and mean squaredisplacements MSDs were calculated to estimate the glass transitiontemperatures Tgs of of the materials. 365 K and 423 K of theTgs were obtained respectively, whereas the latter is much higher than theformer. The simulation results indicated that the incorporation of SWCNTs inthe epoxy matrix can significantly improve the Tg of the cured epoxy. Theapproach presented in this study is ready to be applied more widely to a largegroup of candidate polymers and nanofillers.

KEYWORDS

Molecular Dynamics Simulation; Glass Transition Temperature; Carbon Nanotubes Composites

Cite this paper

Jiang, C. , Zhang, J. , Lin, S. and Jiang, D. 2014 Molecular Dynamic Simulation Study on Glass Transition Temperature of DGEBA-THPA-SWCNTs Composites. Journal of Materials Science and Chemical Engineering, 2, 26-30. doi: 10.4236-msce.2014.21005.





Author: Cai Jiang, Jianwei Zhang, Shaofeng Lin, Dazhi Jiang

Source: http://www.scirp.org/



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