ReaxFF molecular dynamics investigation of co-combustion between Zhundong coal and lignin

Long Li, Xinshun Yang, Langtao Wu and Mei Zhang

International Journal of Low-Carbon Technologies, 2026, vol. 21, 1a-10

Abstract: Co-combustion of coal and biomass offers a promising solution to reduce fossil fuel dependency. This study employs reactive force-field molecular dynamics (ReaxFF MD) to investigate the microscopic effects of temperature and mixing ratio on Zhundong coal–lignin co-combustion. Elevated temperatures significantly enhance the conversion from large molecules to smaller gaseous products (CO2, H2O), suppressing tar formation. Higher coal ratios (3:1, 2:1) favor reduced tar yield and increased gaseous products, indicating synergy. Reaction pathway analysis reveals coal oxidation primarily produces CO2, lignin pyrolysis mainly generates CO, nitrogen atoms yield NO radicals, and sulfur transforms into sulfur-oxygen compounds. These insights facilitate the optimization of coal–biomass combustion technologies.

Keywords: Zhundong coal; lignin; co-combustion; ReaxFF MD (search for similar items in EconPapers)
Date: 2026
References: Add references at CitEc
Citations:

Downloads: (external link)
http://hdl.handle.net/10.1093/ijlct/ctag004 (application/pdf)
Access to full text is restricted to subscribers.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:oup:ijlctc:v:21:y:2026:i::p:1a-10.

Access Statistics for this article

International Journal of Low-Carbon Technologies is currently edited by Saffa B. Riffat

More articles in International Journal of Low-Carbon Technologies from Oxford University Press
Bibliographic data for series maintained by Oxford University Press ().