ArticleACS omega2021
Study on the Formation Mechanism of the Pyrolysis Products of Lignite at Different Temperatures Based on ReaxFF-MD.
Article in ACS omega, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Effect of Iron Component on the Structural Evolution of Carbon Bonds in Hydrochloric Acid-Demineralized Lignite During Pyrolysis.ACS omega · 2023Article
- Thermodynamic Analysis onACS omega · 2023Article
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The internal part of coal that is not in contact with oxygen will undergo pyrolysis reaction due to heat conduction, and the active groups generated can reverse-aggravate the degree of coal spontaneous combustion. At present, a few studies have been conducted on the pyrolysis mechanism of coal at different temperatures by using mutually validated experimental and simulation methods, resulting in the mismatch between the microscopic mechanism and macroscopic characteristics. In this paper, DH lignite is taken as the research object, and its macromolecular model is established. The pyrolysis reaction of lignite is studied by the experimental methods of coal pyrolysis index gas collection and detection experimental and thermogravimetric analyses and the simulation method of ReaxFF-MD. The influence of temperature on lignite pyrolysis is explored by analyzing the distribution of products at different temperatures and the formation mechanism of typical products, so as revealing the microscopic mechanism of lignite pyrolysis. The results show that 110-500 K of experimental temperature corresponds to 1400-2400 K of simulation temperature. CO
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