Structural characteristics of coal vitrinite during pyrolysis

Li, Wu and Zhu, Yanming (2014) Structural characteristics of coal vitrinite during pyrolysis. Energy and Fuels, 28 6: 3645-3654. doi:10.1021/ef500300r


Author Li, Wu
Zhu, Yanming
Title Structural characteristics of coal vitrinite during pyrolysis
Journal name Energy and Fuels   Check publisher's open access policy
ISSN 1520-5029
0887-0624
Publication date 2014-06-19
Year available 2014
Sub-type Article (original research)
DOI 10.1021/ef500300r
Open Access Status
Volume 28
Issue 6
Start page 3645
End page 3654
Total pages 10
Place of publication Washington DC United States
Publisher American Chemical Society
Collection year 2015
Language eng
Formatted abstract
Vitrinite samples inserted into a furnace at room temperature and heated at a rate of 10 °C/h were subjected to X-ray diffraction analysis, Fourier transform infrared spectroscopy (FTIR), and solid-state 13C nuclear magnetic resonance spectroscopy (13C NMR) to characterize the macromolecular structure of vitrinite of different ranks of coal, which was discussed with respect to changes in its chemical structure. The results demonstrate that the relationship between average reflectance of the vitrinite and temperature is linear. The structural parameters of vitrinite separated from the coking coal sample collected from the Lujiatuo mine (LJTV) (d002 = 3.56 Å, Lc = 11.62 Å, La = 10.99 Å) were obtained. The FTIR spectra include bands characteristic of aliphatic C-H stretching, with the ratio of aliphatic oxygen-containing compounds decreasing with increasing rank of the vitrinite samples. The C=O stretching contribution is lower than the aliphatic C-H stretching contribution, whereas the aromatic carbon contribution is high in all of the samples. The vitrinite structural parameters, e.g., the A factor, C factor, CH2/CH3, A ar/Aal, Al/OX, Al/C=C, and C=O/C=C, were calculated. The intensity of the aromatic carbon peak is considerably greater than that of the aliphatic carbon peak. The 13C NMR spectra reveal that the aliphatic carbon content decreases progressively with increasing thermal maturity for the replacement of aromatic hydrogens by condensation. The CCH3 groups are removed more slowly than are the C(CH2)C groups. The coalification progress was divided into two stages based on the CH 2/CH3 ratio, which first decreases and later increases. As revealed by the structural parameter fa, the aromaticity of vitrinite increases during pyrolysis.
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemical Engineering Publications
Official 2015 Collection
 
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