Study on the mechanisms of epoxy resin gasification in supercritical water by molecular dynamics and experimental methods

Epoxy resin is a common polymer in electronic wastes. Improper disposal may lead to secondary pollution and threaten the environment and human health. Supercritical water gasification (SCWG) technology, as a clean and efficient epoxy resin treatment and decomposition technology, has a good application prospect. In order to clarify the gasification mechanism of epoxy resin in supercritical water (SCW), the effects of different reaction parameters on the gasification characteristics of SCW were analyzed by using molecular dynamics (MD) and experimental methods. It was found that higher reaction temperature, longer reaction time, and lower material concentration are more conducive to the decomposition of epoxy resin in SCW. In addition, the SCWG process of epoxy resin was simulated by the MD method. The decomposition pathway of epoxy resin molecules in SCW and the generation pathway of H2 were explored, and the mechanism of the SCWG process of epoxy resin was studied, which will provide theoretical guidance for further research on the improvement of gasification efficiency of epoxy resin in SCW.