Structural characterization and macromolecular structure construction of non-caking coal in Chicheng Mine

被引：7

作者：

Jia, Jinzhang ^{[1
,2
]}

Yang, Qiang ^{[1
,2
]}

Liu, Baogang ^{[1
,2
]}

Wang, Dongming ^{[1
,2
]}

机构：

[1] Liaoning Tech Univ, Coll Safety Sci & Engn, Fuxin 123000, Liaoning, Peoples R China

[2] Liaoning Tech Univ, Minist Educ, Key Lab Mine Thermodynam Disasters & Control, Huludao 125105, Liaoning, Peoples R China

来源：

SCIENTIFIC REPORTS | 2023年 / 13卷 / 01期

基金：

中国国家自然科学基金;

关键词：

MOLECULAR-STRUCTURE; FT-IR; MODEL; XRD;

D O I：

10.1038/s41598-023-44045-2

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Given that coal is not a homogeneous substance, it is of great significance to identify and quantify the structural characteristics thereof for comprehensive analysis. In this paper, the non-caking coal in Chicheng Coal Mine was selected as the research object. The C, H, O, N, and S contents in the coal samples were obtained by proximate/ultimate analysis experiments. The structural characteristics of aromatic, aliphatic hydrocarbons, and oxygen-containing functional groups in the experimental coal samples were obtained by Fourier transform infrared spectroscopy (FT-IR) experiments. X-ray photoelectron spectroscopy (XPS) experiments were performed to obtain the occurrence state of N and S elements in coal samples. Nuclear magnetic resonance (C-13 NMR) experiments provided the carbon skeleton structural information of the coal samples. The macromolecular structure model of non-caking coal in the Chicheng Coal Mine was established on this basis. The molecular formula of non-caking coal in Chicheng Coal Mine was determined to be C207H181O32N3S. The(13)C NMR-predicted spectrum of the model showed good consistency with the C-13 NMR-experimental spectrum obtained from the experiments, providing researchers with reference to the construction ideas and methods of molecular structure models of different coal samples.

引用

页数：15