학술논문


ReaxFF simulations on the transformation pathway of nitrogen elements in the heavy tar under oxy-coal combustion
Document Type
Article
Source
In Journal of the Energy Institute December 2024 117
Subject
Language
ISSN
1743-9671
Abstract
Highlights •The conversion pathway of N in heavy tar under oxy-coal combustion was studied.•A molecular model of heavy tar with typical N-containing functional groups was built.•The reaction network among different precursors, NOx, and N2 was extracted.•The effect of temperature and O2 content on the NOx generation was identified.