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Molecular structure characterization analysis and molecular model construction of anthracite
Jinzhang Jia1,2, Yumo Wu1,2, Dan Zhao3
1College of Safety Science and Engineering, Liaoning Technical University, Fuxin, Liaoning, China.
Plos One
|September 28, 2022
Summary
Researchers characterized anthracite
Area of Science:
- Coal science and materials chemistry.
Background:
- Coal is a primary non-renewable energy source and industrial raw material.
- Understanding coal's molecular structure is crucial for carbon neutralization efforts.
Purpose of the Study:
- To elucidate the molecular structure characteristics of anthracite.
- To construct a molecular structure model for Yangquan anthracite.
Main Methods:
- Industrial/elemental analysis
- Fourier-transform infrared spectroscopy (FTIR)
- X-ray photoelectron spectroscopy (XPS)
- X-ray diffraction (XRD)
- Solid 13C Nuclear Magnetic Resonance (NMR) spectroscopy
Main Results:
- Anthracite exhibits a high degree of aromatic condensation with a bridge carbon to perimeter carbon ratio of 0.38.
- Nitrogen in coal is predominantly found as pyridine and pyrrole.
- A molecular structure model for Yangquan anthracite was developed with the formula C208H162O12N4.
Conclusions:
- The study provides a detailed molecular model of anthracite.
- The methodology serves as a reference for modeling other coal samples.
- Accurate coal structure models are vital for advancing carbon capture and utilization technologies.
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