不同变质程度煤的化学结构红外光谱研究
Infrared spectral research on chemical structure of coal with different levels of metamorphism
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摘要: 利用傅里叶变换红外光谱（FTIR）实验及分峰拟合技术，对3种不同变质程度煤样进行官能团的定性与定量研究，计算并分析红外光谱结构参数。结果表明：随煤样变质程度的加深，羟基官能团逐渐增大，羟基-N与环氢键含量减少，羟基-π含量增多；在脂肪烃中，甲基含量升高，次甲基含量下降；含氧官能团逐渐减小，C=O呈下降趋势，羧基在低变质程度煤中含量最高，高变质程度煤几乎不存在羧基；芳香烃逐渐减小，芳香烃主要以三、四取代为主；随变质程度的提高，脂肪侧链长度变短，支链化程度提高，有机质成熟度提高，碳骨架更加松软；煤变质是脱氧、富碳的过程，高变质程度煤的芳碳率、芳氢率、芳香度和缩合度更高，使得煤中结构单元排列更加规则有序，结构更加稳定。Abstract: The Fourier transform infrared spectroscopy（FTIR） experiment and peak fitting technology were used to perform qualitative and quantitative researches on the functional groups of three coal samples with different levels of metamorphism to calculate and analyze infrared spectrum structure parameters. The results of the study show that as the deterioration of coal samples deepens, the hydroxyl functional groups gradually increase, the content of hydroxyl-N and ring hydrogen bonds decreases, and the content of hydroxyl-π increases; in aliphatic hydrocarbons, the methyl content increases, while the methine content decreases. The oxygen-containing functional groups gradually decrease, and C=O shows a downward trend. The content of carboxyl groups is the highest in low-grade coals, and there are almost no carboxyl groups in high-grade coals. Aromatic hydrocarbons gradually decrease, and aromatic hydrocarbons are mainly substituted by three or four. As the degree of metamorphism increases, the length of fatty side chains becomes shorter, the degree of branching increases, the maturity of organic matter increases, and the carbon skeleton becomes softer; coal metamorphism is a process of deoxidation and carbon enrichment. The aromatic carbon ratio, aromatic hydrogen ratio, aromatic degree and condensation degree of coal with high metamorphic degree are higher, which makes the arrangement of structural units in coal more regular and orderly and the structure more stable.
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