High-density polyethylene degradation into low molecular weight gases at 1823 K: An atomistic simulation

•We used molecular dynamics to study thermal degradation of high density polyethylene.•Significant amount of H2 is generated at temperatures higher than 1396 K.•The generated H2 gas is beneficial for steelmaking process when polymer injected.

Using molecular dynamics simulation, we present a comprehensive study of the volatile thermal degradation of high-density polyethylene (HDPE) across a temperature range of 300 K to 1823 K. We find that degradation at temperatures higher than ∼1373 K generates significant quantities of reducing gases such as CHn and hydrogen molecules which are beneficial to the steelmaking industry. Our results provide a new understanding of HDPE's phase transformation from solid to gas that occurs during superheating at steelmaking's electric arc furnace environment offering a new method for eliminating end-of-life HDPE from landfill.