Effects of DMP-30 Contents on Molecular Orbital Energy Level Distribution of Anhydride Cured Epoxy Resin

Abstract

In this paper, the quantum chemical calculation was applied to obtain the effects of DMP-30 contents on the molecular orbital energy level distribution of anhydride cured epoxy resin. When the accelerator is small or appropriate, the LUMO and Homo orbitals of the epoxy resin are concentrated around the benzene ring; When the accelerator is excessive, the LUMO and Homo orbitals of the epoxy resin concentrate on the epoxy monomer molecules that are not crosslinked to the main chain. The electron affinity energies of the molecular systems under the three structures are 0.21 eV, 0.18 eV and 0.18 eV, respectively, with little change; The band gaps are 6.59 eV, 6.24 eV and 6.41 eV, respectively. The decrease of energy band gap makes it easier for electrons to transition from valence band to conduction band, which will lead to the increase of conductivity.