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.