ArticleACS omega2020
Reaction Mechanism of Aldehyde Groups during Coal Self-Heating.
Article in ACS omega, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Stress-Thermal Activated Radical Pathway and Quercetin Inhibition: Research on the Generation Mechanism of Excessive CO and CHACS omega · 2026Article
- Influence of Hydroxyl Groups on the Oxidative Reaction Characteristics of Active Groups in Lignite at Room Temperature.ACS omega · 2024Article
- Thermal Properties and Key Groups Evolution of Low-Temperature Oxidation for Bituminous Coal under Lean-Oxygen Environment.ACS omega · 2021Article
- Spontaneous Combustion Characteristics of Wetting Coal under Different Prepyrolysis Temperatures.ACS omega · 2020Article
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In order to further understand the mechanism of coal self-heating in the initial stage, the aldehyde group was analyzed by using the quantum chemistry methods. The charge distribution, structural parameters, and molecular orbital were analyzed to determine the active sites existing in the structure of aldehyde group. Then, a chemical reaction model including five elementary reaction sequences was established. In elementary reaction E1, the hydrogen of the aldehyde group is captured by hydroxyl to form the aldehyde radical, which provides the reactant and accumulates heat for the subsequent reaction. In elementary reaction E2, the aldehyde radical further reacts to form a carbon-free radical (R
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