High-Density Polyethylene Degradation into Low Molecular Weight Gases at 1823 K: An Atomistic Simulation

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 $\sim$ 1373 K generates significant quantities of reducing gases such as CH${}_{\text{n}}$ 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.