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

TL;DR

This study uses molecular dynamics simulations to analyze how high-density polyethylene degrades into gases at extremely high temperatures, revealing potential industrial applications in steelmaking and waste management.

Contribution

It provides new atomistic insights into HDPE's thermal degradation process at temperatures up to 1823 K, highlighting gas production mechanisms and phase transformation details.

Findings

Degradation produces significant CHₙ and hydrogen gases at >1373 K

HDPE undergoes phase transformation from solid to gas during superheating

Potential for eliminating HDPE waste from landfills through thermal degradation

Abstract

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.