Investigation of the relationship between infrared structure and pyrolysis reactivity of coals with different ranks

•Length of the aliphatic side chains of coal with same rank are in complex tendency.•The function groups of coal can be characterized by infrared structural parameters.•The infrared structural parameters are defined according to the peak area ratio.Parameter S can be referenced to predict pyrolysis...

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Bibliographic Details
Published in:Fuel (Guildford) 2018-03, Vol.216, p.521-530
Main Authors: Xie, Xing, Zhao, Yan, Qiu, Penghua, Lin, Dan, Qian, Juan, Hou, Haimeng, Pei, Jiangtao
Format: Article
Language:English
Subjects:
Aliphatic compounds
Chemical bonds
Chemical reactions
Chemical structure
Coal
Curve fitting
Devolatilization
Functional groups
Infrared structural parameter
Molecular structure
Organic chemistry
Parameters
Pyrolysis
Pyrolysis reactivity
Reactivity
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Summary:•Length of the aliphatic side chains of coal with same rank are in complex tendency.•The function groups of coal can be characterized by infrared structural parameters.•The infrared structural parameters are defined according to the peak area ratio.Parameter S can be referenced to predict pyrolysis reactivity of different coal. The chemical structures of six coal samples with different ranks were semi-quantitatively characterized by a series of original infrared structural parameters, and the pyrolysis reactivity of the samples were quantitatively characterized by a comprehensive devolatilization index. A correlation was established between the infrared structural parameters and pyrolysis reactivity. The results show that the infrared structural parameter method presented in this paper can reveal the distribution characteristic of chemical bonds in coal effectively. The total content of oxygen-containing functional groups, CH groups and the inorganic mineral can be satisfactorily characterized by infrared structural parameter, Ia3, Ib4 and Id3 respectively. The length of aliphatic side chains or bridge bonds undergoes a Stable-Increased-Decreased process. Good positive correlation was established between the comprehensive infrared structural parameter S and the pyrolysis reactivity, which was proved effective to predict the pyrolysis reactivity of coal over various ranks.
ISSN:0016-2361
1873-7153
DOI:10.1016/j.fuel.2017.12.049