Jiang Jingyu, Zhang Shuo, Longhurst Phil, Yang Weihua, Zheng Shaojie
Key Laboratory of Gas and Fire Control for Coal Mines (China University of Mining and Technology), Ministry of Education, Xuzhou 221116, China; School of Safety Engineering, China University of Mining and Technology, Xuzhou, Jiangsu 221116, China; School of Water, Energy and Environment, Cranfield University, Bedford MK43 0AL, UK.
Key Laboratory of Gas and Fire Control for Coal Mines (China University of Mining and Technology), Ministry of Education, Xuzhou 221116, China; School of Safety Engineering, China University of Mining and Technology, Xuzhou, Jiangsu 221116, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2021 Jul 5;255:119724. doi: 10.1016/j.saa.2021.119724. Epub 2021 Mar 22.
Bituminous coal is used widely for a variety of applications despite causing a range of problems within processes. The complexity and heterogeneity of the molecular structure of coal is one of the reasons for problems during use. Investigation into the molecular structure of the bituminous coal is reported from using X-ray diffraction (XRD), Raman spectroscopy, and Fourier Transform infrared (FTIR) spectroscopy experiments on four coal samples from coal mines in Northern China. The average lateral sizes (L), stacking heights (L) and interlayer spacing (d) of the coal samples' crystallite structures derived from the XRD ranged from 25.78 to 27.93 Å, 17.27 to 25.88 Å and 3.40 to 3.52 Å, respectively; and the G-D I/I and L of the samples ranged from 245.06 to 249.63 cm, 2.18 to 2.48 and 18.16 to 20.64 Å, respectively. The FTIR spectra reveals that coal samples incorporate oxygen-containing functional groups, aliphatic functional groups, aromatic functional groups and hydroxyl functional groups. Results show these four coal samples contained a low degree of ordered microcrystalline units with a low degree of aromatic conformation. The samples have the largest proportion of oxygenated functional groups, followed by aromatic structures, aliphatic structures and hydroxyl groups. Results from this study could inform the ongoing study of molecular structural characteristics of bituminous coal as well as help our understanding of properties such as wettability and pore structure.
尽管烟煤在加工过程中会引发一系列问题，但它仍被广泛应用于各种领域。煤分子结构的复杂性和异质性是使用过程中出现问题的原因之一。本文报道了利用X射线衍射（XRD）、拉曼光谱和傅里叶变换红外（FTIR）光谱实验，对来自中国北方煤矿的四个煤样的烟煤分子结构进行的研究。由XRD得出的煤样微晶结构的平均横向尺寸（L）、堆积高度（L）和层间距（d）分别为25.78至27.93 Å、17.27至25.88 Å和3.40至3.52 Å；样品的G-D I/I和L分别为245.06至249.63 cm、2.18至2.48和18.16至20.64 Å。FTIR光谱显示，煤样含有含氧官能团、脂肪族官能团、芳香族官能团和羟基官能团。结果表明，这四个煤样含有低程度的有序微晶单元和低程度的芳香构象。样品中含氧官能团的比例最大，其次是芳香结构、脂肪族结构和羟基。本研究结果可为正在进行的烟煤分子结构特征研究提供参考，并有助于我们理解其润湿性和孔隙结构等性质。
