小黄山煤焦油成分的谱学分析

摘要/Abstract

摘要：

用核磁共振波谱和红外光谱对新疆小黄山地区原煤干馏的煤焦油进行了研究和相关结构参数的计算，并由此推测了其原煤的煤化程度和生烃能力. 结果表明其芳碳率f_ar^C为0.78，平均碳数N=1.64，取代指数σ为0.49，缩合指数Q为0.51. 与缩合芳香核上连接的烷基侧链较多且链长较短. 用OPUS软件，选择了5个红外光谱参数I₁~I₅，对谱图进行了矢量归一化并积分，获得了有关IR的部分结构参数. 由NMR和IR的结构参数，判定了小黄山原煤的变质程度为中等，其类型属于以镜质体为主的腐殖煤，由生烃机理推测其原煤的生气潜力大于生油潜力，其生气潜力碳主要为甲基单元，适宜做煤制气的原料.

关键词: 核磁共振(NMR), IR, 结构参数, 煤焦油, 小黄山

Abstract:

The composition of coal tar from the Xiaohuangshan region, Xinjiang was studied by NMR spectroscopy and IR spectrometry. Structure parameters of the tar were calculated, and used to evaluate the degree of coalification and hydrocarbon generation capacity of the crude coal. The average aromatization-carbon ratio was found to be 0.78, carbon number (N) 1.64, replace index (σ) 0.49, and condensation index (Q)0.51. It was found that there were many alkyl-side chains connecting to the condensation aromatic nuclei, whose chain length was relatively short. Structural information was yielded from normalized and integrated IR spectra with the OPUS software. The parameters obtained from the NMR and IR spectra indicated that the crude coal was in medium metamorphic grade, and belonged to humic coal containing mainly vitrinite. According to the hydrocarbon generation mechanism, the gas potentiality of the coal tar was found to be better than oil, with its gas potential carbon mainly located in the methyl units. It was concluded that the coal from the Xiaohuangshan region can be used as the raw material to producing coal gas.

Key words: NMR, IR, structure parameters, coal tar, Xiaohuangshan

中图分类号:

O657.61

梅远飞, 赵新, 孙万赋, 唐军, 乔爱新. 小黄山煤焦油成分的谱学分析[J]. 波谱学杂志, 2011, 28(3): 339-348.

MEI Yuan-Fei, ZHAO Xin, SUN Wan-Fu, TANG Jun, QIAO Ai-Xin. Spectral Analysis of Coal Tar from Xiaohuangshan Region[J]. Chinese Journal of Magnetic Resonance, 2011, 28(3): 339-348.

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