YI Jin-hua, WANG Ling, SHANG Bo, HE Jian-xin, LEI Jing-lei. Molecular Dynamics Modeling of the Thermo-oxidative Degradation in Epoxy Resin[J]. Polymer Bulletin, 2023,36(4):505-513.
YI Jin-hua, WANG Ling, SHANG Bo, HE Jian-xin, LEI Jing-lei. Molecular Dynamics Modeling of the Thermo-oxidative Degradation in Epoxy Resin[J]. Polymer Bulletin, 2023,36(4):505-513. DOI: 10.14028/j.cnki.1003-3726.2023.04.009.
The models of diglycidyl ether of bisphenol A (DGEBA) epoxy with diethanolamine (DEA) and thermo-oxidative aging DEA/DGEBA were built
via
the combined method of molecular dynamic methods and perl script. The effect of oxidation degree and crosslinking degree on glass transition temperature (
T
g
) and modulus of epoxy resins were studied by orthogonal experiment and range analysis. The simulation results show that under the condition of a higher degree of crosslinking
the degree of oxidation has a stronger effect on the mechanical properties of DEA/DGEBA system than the degree of crosslinking
while the effect on the glass transition temperature is opposite. The results are consistent with the curing experiments. These results could be used to understand the usual modulus curve that first increased and then decreased found on thermo-oxidative aging experiment for DEA/DGEBA.