^(13)C NMR spectra of tectonic coals and the effects of stress on structural components

作     者：JU Yiwen1,2, JIANG Bo1, HOU Quanlin2, WANG Guiliang1 & NI Shanqin2 1. College of Mineral Resource and Geosciences, China University of Mining and Technology, Xuzhou 221008, China 2. Laboratory of Computational Geodynamics, College of Geosciences, Graduate School of Chinese Academy of Sciences, Beijing 100049, China 

作者机构：College of Mineral Resource and Geosciences China University of Mining and Technology Xuzhou China Laboratory of Computational Geodynamics College of Geosciences Graduate School of Chinese Academy of Sciences Beijing China 

出 版 物：《Science China Earth Sciences》 (中国科学（地球科学英文版）)

年 卷 期：2005年第48卷第9期

页      面：1418-1437页

核心收录：

学科分类：081803[工学-地质工程] 08[工学] 0708[理学-地球物理学] 0818[工学-地质资源与地质工程] 0704[理学-天文学] 

基　　金：supported by the National Key Basic Research Development Plan Project(973)(Grant No.2002CB211704) the National Natural Science Foundation of China(Grant No.40172058) the China Postdoctoral Science Foundation(Grant No.200403508) Kuancheng Wang Postdoctoral Research AwardFund of the Chinese Academy of Sciences 

主　　题：tectonic coal, NMR, macromolecular structure, chemical component, stress effect. 

摘      要：High-resolution 13C Nuclear Magnetic Resonance (NMR) spectra of different kinds of tectonic coals were obtained using the NMR (CP/MAS+TOSS) method. On the basis of this, after simulation synthesis and division of spectra, the relative contents of carbon functional groups were calculated. Combined with results of Ro, max, XRD testing and element analysis, stress effects on the composition of macromolecular structures in tectonic coals were studied further. The results showed that Ro, max was not only the important index for describing coal rank, but was also effective for estimating the stress effect of tectonic coals. Under tectonic stress ac- tion, Ro, max was the most direct indicator of the coal structure and chemical components. Changes in the stacking Lc of the coal basic structure unit (BSU) and La/Lc parameters could distinguish the temperature and stress effects on metamorphic-deformed environments, and re- flected the degree of structural deformation. Therefore, on the whole, Lc and La/Lc can be used to index of the degree of structural deformation of tectonic coals. In different metamorphic and de- formed environments, different kinds of tectonic coals are formed under structural stress. The changes in characteristics of the macromolecular structure and chemical composition are such that as the increase in structural deformation becomes stronger, from the brittle deformation coal to ductile deformation coal, the ratio of width at the half height of the aromatic carbon and ali- phatic carbon peaks (Hfa/Hfal ) was increased. As carbon aromaticity was raised further, carbon aliphaticity reduced obviously and different compositions of macromolecular structure appeared as a jump and wave pattern except for in wrinkle structure coal, which might result chiefly from stress effects on the macromolecular structure of different kinds of tectonic coals. The macro- moecular changes of wrinkle structure coal are reflected mainly on physical structure. In the metamorphi