XPS and FTIR Spectroscopy Characterization about the Structure of Coking Coal in Xinyang
GE Tao1, ZHANG Ming-xu1, MA Xiang-mei2
1. Department of Material Science & Engineering, Anhui University of Science and Technology, Huainan 232001, China
2. Department of Chemical Engineering, Anhui University of Science and Technology, Huainan 232001, China
Abstract：Structure and occurrence recognition for primary elements in coal are the foundations to acquire coal structural parameters and it is of great significance to construct a coal structure model, study reaction characteristics of coal and rationally utilize coal resources. At present, studies on the coal structure are most targeted at coals with a low-medium metamorphic degree. In comparison, the structure of coking coal is rarely studied and no structure model has been presented for it. In this paper, FTIR was adopted to carry out spectral characterization for hydroxyl polar groups, fat composition, aromatic structure, oxygen-containing functional group and miscellaneous atomic structure in Xinyang coking coal. The results demonstrated that, on the one hand, hydroxide radical π hydrogen bond formed by the Xinyang coking coal with π electrons in the aromatic nucleus was a main existing form of hydroxide radical; on the other hand, polymer was a concrete embodiment of associated structures in the coal. Besides, it also indicated that contents of methyne, methyl and methylene went up successively; and, methylene and methyne had a content occupying 82.05% in the total aliphatic hydrocarbon content in coal. The coal contained a great number of alkyl side-chains. Benzene ring-disubstitution and trisubstitution, with 86.74% taking in the total aromatic hydrocarbon content of coal, were primary structures of them. For an oxygen-containing functional group, while hydroxide radical and carbonyl were its principal composition groups, the content of carboxyl and ether group was less than 10%. In the Xinyang coal enriched with silicon, its occurrence lies in forms of Si—O—Si and Si—O—C. The main existing form of nitrogen included pyridine, pyrrole and oxynitride and most nitrogen distributed on edges of building blocks of coal molecules. As far as organic sulfur in coal was concerned, its primary existing form was thiophenic sulfur, the content of which exceeded 60% of the total organic sulfur content, followed by those of sulphone and sulfoxide. Occurrences of mercaptan and thioether were both at a minimum level.
Key words：Coking coal; FTIR; XPS; The structure of coal
葛 涛，张明旭，马祥梅. 新阳炼焦煤结构的FTIR和XPS谱学表征[J]. 光谱学与光谱分析, 2017, 37(08): 2406-2411.
GE Tao, ZHANG Ming-xu, MA Xiang-mei. XPS and FTIR Spectroscopy Characterization about the Structure of Coking Coal in Xinyang. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(08): 2406-2411.
[1] XIAO Jin, LI Fa-chuang, DENG Song-yun, et al(肖 劲, 李发闯, 邓松云, 等). Journal of Central South University·Science and Technology(中南大学学报·自然科学版), 2016, 47(1): 1.
[2] Chen Yanyan, Mastalerz M, Schimmelmann A. International Journal of Coal Geology, 2012, 104: 23.
[3] LI Xia, ZENG Fan-gui, WANG Wei, et al(李 霞, 曾凡桂, 王 威, 等). Journal of China Coal Society(煤炭学报), 2015, 40(12): 2900.
[4] ZHOU Jun, YANG Zhe, LIU Xiao-feng，et al(周 军, 杨 哲, 刘晓峰, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2016, 36(2): 460.
[5] LI Mei, YANG Jun-he, ZHANG Qi-feng, et al(李 梅, 杨俊和, 张启锋, 等). Journal of Fuel Chemistry and Technology(燃料化学学报)，2013, 41(11): 1288.
[6] GE Tao, ZHANG Ming-xu, MIN Fan-fei(葛 涛, 张明旭, 闵凡飞). Journal of China Coal Society(煤炭学报)，2015, 40(7): 1650.
[7] Ma X M, Zhang M X, Min F F. Energy Sources, Part A: Recovery, Utilization, and Environmental Effects, 2015, 37(24): 2716.
[8] Mathews J P, Vanduin A T, Chaffee A L. Fuel Process Technol., 2011, 92(4): 719.
[9] HAN Feng, ZHANG Yan-guo, MENG Ai-hong, et al(韩 峰, 张衍国, 蒙爱红, 等). Journal of China Coal Society(煤炭学报), 2014, 39(11): 2295.
[10] Zhang Y C, Zhang J, Sheng C D, et al. Energy Fuels, 2011, 25(1): 241.
[11] Chandran M, Shasha M, Michaelson S, et al. Applied Surface Science, 2016, 382(4): 198.
[12] MA Ling-ling, QIN Zhi-hong, ZHANG Lu, et al(马玲玲，秦志宏，张 露，等). Journal of Fuel Chemistry and Technology(燃料化学学报), 2014, 42(3): 277.
