Insights into hydro thermal gasification process of microplastic polyethylene via reactive molecular dynamics simulations.

ABSTRACT: Microplastics have become a pressing environmental issue due to their widespread presence in our ecosystems. Among various plastic components, polyethylene (PE) is a prevalent and persistent contaminant. Hydrothermal gasification (HTG), a promising technology for converting PE into syngas, holds great promise for mitigating the microplastic problem. In this study, we employ ReaxFF molecular dynamics simulations to investigate the HTG process of PE, shedding light on the intricate relationships between temperature, water content, carbon conversion efficiency, and product distributions. The results reveal that hydrothermal gasification of PE is a complex process involving multiple reaction pathways. Consistently with experimental findings, the calculations indicate that the gas phase exhibit

SUBMITTER: Ha DT 

PROVIDER: S-EPMC11322303 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature