Experimental study and mechanism analysis of coal spontaneous combustion inhibition based on oxidation characteristics of key coal reaction groups

IF 4.3 2区 工程技术 Q2 ENGINEERING, CHEMICAL Chemical Engineering Science Pub Date : 2025-06-15 Epub Date: 2025-04-11 DOI:10.1016/j.ces.2025.121656
Xun Zhang , Chen Yu , Bing Lu , Gang Bai , Huimin Liang , Jieyu Li
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Abstract

Based on the staged oxidation development process dominated by the temperature node of coal itself, the correlation contribution of the staged oxidation reaction of key active groups is thoroughly analyzed. The mathematical relationship between macroscopic gas characteristics and microscopic active groups of different coal samples was established. The exothermic mechanism of the self-reaction associated with the key active groups during the staged oxidation of coal was investigated using quantum chemical calculations. The performance of inhibitors is significantly diminished during the latent development stage of coal. The key temperature node accelerates the desorption of crystal water from the physical inhibitor, enabling it to act more effectively on the coal body. Meanwhile, the chemical antioxidant becomes more active in quenching and capturing key active groups, thereby inhibiting the chain reaction process and the release of heat from self-reactions. The critical temperature inhibition method ensures a more comprehensive suppression of coal oxidation at key stages. The research provides valuable insights and data support for enhancing the safety of coal storage and transportation.
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基于煤关键反应基团氧化特性的煤自燃抑制实验研究及机理分析
基于煤自身温度节点主导的阶段氧化发育过程,深入分析了关键活性基团阶段氧化反应的相关贡献。建立了不同煤样宏观气体特征与微观活性基团之间的数学关系。利用量子化学计算方法研究了煤分阶段氧化过程中与关键活性基团相关的自反应放热机理。在煤的潜伏发育阶段,抑制剂的性能明显下降。关键温度节点加速了物理抑制剂对结晶水的解吸,使其更有效地作用于煤体。同时,化学抗氧化剂在猝灭和捕获关键活性基团方面变得更加活跃,从而抑制链式反应过程和自反应释放热量。临界温度抑制法确保在关键阶段更全面地抑制煤的氧化。该研究为提高煤炭储运安全提供了有价值的见解和数据支持。
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来源期刊
Chemical Engineering Science
Chemical Engineering Science 工程技术-工程:化工
CiteScore
7.50
自引率
8.50%
发文量
1025
审稿时长
50 days
期刊介绍: Chemical engineering enables the transformation of natural resources and energy into useful products for society. It draws on and applies natural sciences, mathematics and economics, and has developed fundamental engineering science that underpins the discipline. Chemical Engineering Science (CES) has been publishing papers on the fundamentals of chemical engineering since 1951. CES is the platform where the most significant advances in the discipline have ever since been published. Chemical Engineering Science has accompanied and sustained chemical engineering through its development into the vibrant and broad scientific discipline it is today.
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