为研究煤矸石自燃的低温氧化过程中活性官能团的演化规律及与气体释放之间的联系，利用傅里叶变换红外光谱仪和程序升温控制装置组成的实验系统对煤矸石样品在空气氛围下30~350 ℃的光谱实验数据进行分析，并采用Spearman法对气体释放与官能团进行相关性研究。结果表明：自燃过程中羟基含量整体呈上升趋势，脂肪烃在氧化反应中含量较高且反应活跃，含氧官能团在氧化中受脂肪烃影响；CH₄析出量随着脂肪烃−CH₂−、取代芳烃C−H、羟基含量升高而升高，CO则随羰基、芳香烃C−H含量升高而升高、随含氧官能团含量升高而下降，CO₂在氧化过程中的释放主要随羟基和羰基含量升高而升高，呈现出极高的相关性。

In order to study the transformation law of active functional groups in the low-temperature oxidation process of coal gangue spontaneous combustion and its relationship with gas release, the experimental system composed of Fourier transform infrared spectrometer and programmed temperature control device was used to analyze the spectral experimental data of coal gangue samples at 30-350 °C in air atmosphere. The Spearman method was used to study the correlation between gas release and functional groups. The results showed that the content of hydroxyl groups in the spontaneous combustion process showed an overall upward trend, the content of aliphatic hydrocarbons in the oxidation reaction was high and the reaction was active, and the oxygen-containing functional groups were affected by aliphatic hydrocarbons in the oxidation. The amount of CH₄ gas released increases with the increase of aliphatic hydrocarbon −CH₂−, substituted aromatic hydrocarbon C−H and hydroxyl content. CO gas increases with the increase of carbonyl and aromatic hydrocarbon C−H content, and decreases with the increase of oxygen-containing functional group content. The release of CO₂ gas during oxidation mainly increases with the increase of hydroxyl and carbonyl content, showing a very high correlation.