Modelling co-gasification of plastic waste and lignin in supercritical water using reactive molecular dynamics simulations

Tao Wang, Xiangyang Liu* (Corresponding Author), Sihan Huang, Waheed Afzal, Maogang He

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

Supercritical gasification is a promising technology for the utilisation of biomass and plastic wastes. To further understand the synergistic effect of lignin and plastic co-gasification under the influence of supercritical water, the microscopic mechanism of the co-gasification of lignin and plastic in supercritical water was studi,􀀛d using reactive molecular dynamics simulations. The influence of temperature on the evolution behaviour of the carbon chains was also analysed. At low temperatures, lignin cracks slowly, whereas most polyethylene does not crack, and gas production yield is low. The quantity of supercritical water participating in gasification increases with increasing temperature, but there exists an upper limit to this increase. At hig h temperatures, the main gasification products include H2, CH4, CO and CO2.
Original languageEnglish
Pages (from-to)21060-21066
Number of pages7
JournalInternational Journal of Hydrogen Energy
Volume47
Issue number49
Early online date2 Jun 2022
DOIs
Publication statusPublished - 8 Jun 2022

Keywords

  • Plastic waste
  • Lignin
  • Superficial water
  • Co-gasification

Fingerprint

Dive into the research topics of 'Modelling co-gasification of plastic waste and lignin in supercritical water using reactive molecular dynamics simulations'. Together they form a unique fingerprint.

Cite this