Molecular Dynamics Simulation of Key Physical Properties of Cross-Linked Epoxy Resins Saturated with Water Absorption

Epoxy resin is an important component of bridge arm reactors, but the invasion of a large number of water molecules into the epoxy system under a high humidity environment will have a certain effect on its various properties. In this paper, a model of cross-linked epoxy resin and a model of epoxy resin absorbing saturated water molecules are established, and the mechanical properties, dielectric properties and thermal conductivity of the two systems are calculated by molecular dynamics simulation. The mechanical and dielectric properties of the epoxy resin after water absorption were significantly degraded, in which the dielectric constant was enhanced by 23.02% compared with that of the epoxy composite, but the thermal conductivity of the model increased slightly after water absorption. The calculation also reveals the mechanism of water molecule invasion on the various properties of the material, which paves the way for the next step of modification and regulation for high humidity environment.