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13C-NMR Study on Structure Evolution Characteristics of High-Organic-Sulfur Coals from Typical Chinese Areas

College of Geoscience and Surveying Engineering, China University of Mining and Technology, Beijing 100083, China
Author to whom correspondence should be addressed.
Minerals 2018, 8(2), 49;
Received: 8 January 2018 / Revised: 26 January 2018 / Accepted: 30 January 2018 / Published: 1 February 2018
(This article belongs to the Special Issue Toxic Mineral Matter in Coal and Coal Combustion Products)
The structure evolution characteristics of high-organic-sulfur (HOS) coals with a wide range of ranks from typical Chinese areas were investigated using 13C-CP/MAS NMR. The results indicate that the structure parameters that are relevant to coal rank include CH3 carbon (fal*), quaternary carbon, CH/CH2 carbon + quaternary carbon (falH), aliphatic carbon (falC), protonated aromatic carbon (faH), protonated aromatic carbon + aromatic bridgehead carbon (faH+B), aromaticity (faCP), and aromatic carbon (farC). The coal structure changed dramatically in the first two coalification jumps, especially the first one. A large number of aromatic structures condensed, and aliphatic structures rapidly developed at the initial stage of bituminous coal accompanied by remarkable decarboxylation. Compared to ordinary coals, the structure evolution characteristics of HOS coals manifest in three ways: First, the aromatic CH3 carbon, alkylated aromatic carbon (faS), aromatic bridgehead carbon (faB), and phenolic ether (faP) are barely relevant to rank, and abundant organic sulfur has an impact on the normal evolution process of coal. Second, the average aromatic cluster sizes of some super-high-organic-sulfur (SHOS) coals are not large, and the extensive development of cross bonds and/or bridged bonds form closer connections among the aromatic fringes. Moreover, sulfur-containing functional groups are probably significant components in these linkages. Third, a considerable portion of “oxygen-containing functional groups” in SHOS coals determined by 13C-NMR are actually sulfur-containing groups, which results in the anomaly that the oxygen-containing structures increase with coal rank. View Full-Text
Keywords: high-organic-sulfur coal; structure evolution; 13C-NMR high-organic-sulfur coal; structure evolution; 13C-NMR
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Wei, Q.; Tang, Y. 13C-NMR Study on Structure Evolution Characteristics of High-Organic-Sulfur Coals from Typical Chinese Areas. Minerals 2018, 8, 49.

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