It is imperative to have an in-depth understanding of the chemical inhibition mechanism for spontaneous combustion of coal, not only for controlling and preventing spontaneous combustion of coal in the coal mining industry but also for reducing emissions of hazardous gases. N,N-dibenzylhydroxylamine (DBHA) as a hydroxylamine free radical scavenger can be chosen as a feasible stabilizer for the spontaneous combustion of coal. In this study, the inhibitory performance of DBHA was examined by investigating coal mass changes and heat release obtained from thermogravimetric and differential scanning calorimetry. The effect of DBHA on change of the active groups during coal oxidation at different temperatures was determined by in situ Fourier-transform infrared spectroscopy. Density functional theory was also introduced to optimize the active radical model and calculate thermodynamic parameters. Experimental results showed that DBHA exerted a strong inhibitory effect on the spontaneous combustion of coal, especially for lignite and sub-bituminous coal. DBHA can combine with a hydroperoxide intermediate to form a stable compound, causing the effect of reducing the free hydroxyl content in coal and interrupting the formation of aldehydes and carboxylic acids. Additionally, it can combine with alkyl radicals to form stable compounds. DBHA exhibits an inhibitory effect by increasing the activation energy at each stage, especially during the accelerated oxidation and quick oxidation stages. Furthermore, the possible reaction paths between free radicals and DBHA were also proposed on the basis of the experimental findings.

中文翻译：

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DBHA对煤自燃过程中自由基反应的化学抑制机理研究

必须深入了解煤炭自燃的化学抑制机理，不仅要控制和防止煤炭开采行业中煤炭的自燃，而且要减少有害气体的排放。可以选择N，N-二苄基羟胺（DBHA）作为羟胺自由基清除剂作为煤自燃的可行稳定剂。在这项研究中，通过研究煤的质量变化和从热重分析和差示扫描量热法获得的放热，研究了DBHA的抑制性能。通过原位测定DBHA对不同温度下煤氧化过程中活性基团变化的影响。傅立叶变换红外光谱。还引入了密度泛函理论来优化活性自由基模型并计算热力学参数。实验结果表明，DBHA对煤的自燃具有很强的抑制作用，尤其是对褐煤和次烟煤。DBHA可以与氢过氧化物中间体结合形成稳定的化合物，从而起到降低煤中游离羟基含量并中断醛和羧酸形成的作用。另外，它可以与烷基结合形成稳定的化合物。通过增加每个阶段的活化能，DBHA表现出抑制作用，尤其是在加速氧化和快速氧化阶段。此外，