鄯善低温煤焦油成分的谱学分析与评价  

Spectral Analysis and Evaluation of Shanshan Coal Tar

作　　者：洪琨[1] 马凤云[1] 赵新[2] 钟梅[1] 刘景梅[1] 刘月娥[1] 和鲁 

机构地区：[1]煤炭洁净转化与化工过程自治区重点实验室,新疆大学化学化工学院,新疆乌鲁木齐830046 [2]新疆大学理化测试中心,新疆乌鲁木齐830046 [3]新疆化工设计研究院有限责任公司,新疆乌鲁木齐830046

出　　处：《波谱学杂志》2016年第1期96-105,共10页Chinese Journal of Magnetic Resonance

基　　金：国家自然科学基金资助项目(21276219);新疆科技厅重点实验室开放课题(2015KL022)

摘　　要：利用核磁共振（NMR）和傅里叶变换红外光谱（FT-IR）对新疆鄯善地区原煤干馏制取的煤焦油进行了研究.NMR研究结果表明鄯善煤焦油的芳碳率far^C为0.44;平均碳数N为2.87;取代指数σ为0.33;缩合指数Q为0.74,这与缩合芳香环上连接的烷基侧链较多、链长较短有关;含氧官能团主要以芳醚形式存在;羧基、甲氧基脱落或者消失.选择了5个红外光谱参数B1-B5,用Ominic软件对谱图进行了矢量归一化并积分,获得了IR相关的部分结构参数.通过对NMR和IR结构参数的分析,推测鄯善原煤的处于中等变质程度,其类型属于以镜质体为主的腐殖型煤;成烃机理主要是长链烃断裂;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.The composition and structure parameters of coal tar distilled from the coal of the Shanshan area, Xinjiang were studied by NMR spectroscopy and Fourier transform infrared （FT-IR） spectrometry. With the structure parameters calculated from the spectra, and coalification degree and hydrocarbon generation capacity of the crude coal were evaluated. The result showed that the average rate of aromatic carbon （far^C） was 0.44, carbon number （N） was 2.87, replace index （σ） was 0.33 and condensation index （Q） was 0.74. It was found that there were many alkyl-side chains connecting to the condensation aromatic nuclei. Five IR parameters （B1-B5） were chosen to process the spectra with vector normalization and integral in the Ominic software. The NMR and IR data indicated that the crude coal is medium in metamorphic grade, and belongs to humic coal mainly composed of vitrinite. The oxygen-containing functional groups exist mainly in the form of aryl ethers. Carboxyl and methoxy groups either fall out or disappear. According to the hydrocarbon generation mechanism, these data indicated that the gas potentiality of the coal tar is higher than its oil potential; and the gas potential carbon is mainly the methyl units.

关 键 词：核磁共振(NMR) 傅里叶变换红外光谱(FT-IR) 结构参数 煤焦油 鄯善 

分 类 号：O482.53[理学—固体物理]