Journal of Materials Science and Chemical Engineering

Volume 2, Issue 1 (January 2014)

ISSN Print: 2327-6045   ISSN Online: 2327-6053

Google-based Impact Factor: 1.21  Citations  

Molecular Dynamic Simulation Study on Glass Transition Temperature of DGEBA-THPA/SWCNTs Composites

HTML  Download Download as PDF (Size: 265KB)  PP. 26-30  
DOI: 10.4236/msce.2014.21005    4,587 Downloads   8,049 Views  Citations

ABSTRACT

Molecular dynamic (MD) simulations were carried out to predict the thermo-mechanical properties of the cured epoxy network composed of diglycidyl ether bisphenol A (DGEBA) epoxy resin and tetrahydrophthalic anhydride (THPA) curing agent and their single-walled carbon nanotubes (SWCNT) reinforced the epoxy matrix composites. Different characters such as the density of the materials and mean square displacements (MSDs) were calculated to estimate the glass transition temperatures (Tgs) of of the materials. 365 K and 423 K of the Tgs were obtained respectively, whereas the latter is much higher than the former. The simulation results indicated that the incorporation of SWCNTs in the epoxy matrix can significantly improve the Tg of the cured epoxy. The approach presented in this study is ready to be applied more widely to a large group of candidate polymers and nanofillers.

Share and Cite:

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.

Cited by

[1] Mechanical properties and liquid oxygen compatibility of nano-silica and graphene oxide modified phosphorus-containing epoxy resin
Molecular Simulation, 2023
[2] A molecular dynamics simulation study to investigate the effect of C60 on thermo-mechanical and elastic properties of DGEBA/DETA nanocomposites
Journal of Metals …, 2022
[3] Molecular dynamics simulations on the scattering of heavy gases on the composite surfaces
2021
[4] Determination of momentum accommodation coefficients and velocity distribution function for noble gas-polymeric surface interactions using molecular dynamics …
Nasab, J Safdari, J Karimi-Sabet… - Applied Surface …, 2019
[5] Molecular dynamics studies of the mechanical behaviors and thermal conductivity of the DGEBA/MTHPA/CNB composites
2019
[6] On the behavior of isolated and embedded carbon nano-tubes in a polymeric matrix
Materials Research Express, 2018
[7] Revisiting the semi-flexible entangled chains of polymer in the carbyne model
2018
[8] Revisiting the Entangled Chains of Polymer in the Carbyne Model
Brazilian Journal of Physics, 2018

Copyright © 2025 by authors and Scientific Research Publishing Inc.

Creative Commons License

This work and the related PDF file are licensed under a Creative Commons Attribution 4.0 International License.