Structural parameters and molecular model of Shendong subbituminous coal

Xiaoping Su; Ning Li; Longjian Li; Reyila Tuerhong; Yongchong Yu; Ping Zhang; Qiong Su; Tao Shen; Ming Sun; Xiaoxun Ma

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Structural parameters and molecular model of Shendong subbituminous coal

Updated：2026-01-06

- Structural parameters and molecular model of Shendong subbituminous coal
- Chinese Journal of Chemical Engineering Vol. 76, Issue 12, Pages: 124-134(2024)
- Affiliations：
  
  1. Key Laboratory of Environment-Friendly Composite Materials of the State Ethnic Affairs Commission, Gansu Provincial Biomass Function Composites Engineering Research Center, Key Laboratory for Utility of Environment-Friendly Composite Materials and Biomass in University of Gansu Province, Gansu Province Research Center for Basic Sciences of Surface and Interface Chemistry, College of Chemical Engineering, Northwest Minzu University,Lanzhou,China,730124
  2. School of Chemical Engineering, Northwest University, International Science & Technology Cooperation Base of MOST for Clean Utilization of Hydrocarbon Resources, Chemical Engineering Research Center of the Ministry of Education for Advanced Use Technology of Shanbei Energy, Shaanxi Research Center of Engineering Technology for Clean Coal Conversion, Collaborative Innovation Center for Development of Energy and Chemical Industry in Northern Shaanxi,Xi'an,China,710069
- Author bio：
- Funds：
- DOI：
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- Published：2024
- Accepted：
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Xiaoping Su, Ning Li, Longjian Li, Reyila Tuerhong, Yongchong Yu, Ping Zhang, Qiong Su, Tao Shen, Ming Sun, Xiaoxun Ma. Structural parameters and molecular model of Shendong subbituminous coal[J]. Chinese Journal of Chemical Engineering, 2024, 76(12): 124-134.
DOI：

Xiaoping Su, Ning Li, Longjian Li, Reyila Tuerhong, Yongchong Yu, Ping Zhang, Qiong Su, Tao Shen, Ming Sun, Xiaoxun Ma. Structural parameters and molecular model of Shendong subbituminous coal[J]. Chinese Journal of Chemical Engineering, 2024, 76(12): 124-134. DOI：

摘要

Abstract

Coal has a highly complex chemical structure

similar to polymers

coal is a macromolecular structure composed of a large number of “similar compounds”

which is called the basic structural unit. Understanding coal structure is the basis of its transformation and utilization. Shendong (SD) coal was analyzed by FTIR

XRD

XPS

and NMR. The results show that SD coal normalized structure formula is C

100

68.5

35.7

1.2

0.2

and the average number of aromatic rings is 1.98. -CH

—content accounts for about 82% in aliphatic C-H region

and the ratio of ether bond C-O

aromatic ether C-O and CO is about 2:1:11 in oxygen-containing functional group region. The

002

and

of SD coal microcrystalline structure parameters are 0.1832 nm

1.4688 nm

2.0852 nm and 9.017

respectively. Aromatic carbon and aliphatic carbon ratios of SD coal are 55.67% and 29.97%

aromatic cluster size and average methylene chain length are 0.224 and 1.817. Based on these structural parameters

molecular model of SD coal was constructed with

C SSNMR experimental spectra as a reference. The model was constructed with an atom composition of C

214

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