Citation

Wang X, Wang L, Li W, Liu D. Sci. Rep. 2024; 14(1): e4305.

Copyright

(Copyright © 2024, Nature Publishing Group)

DOI

10.1038/s41598-024-53979-0

PMID

38383580

Abstract

To explore the mechanism of inhibiting spontaneous combustion of coal by mixed gases, the low-temperature oxidation characteristics of coal under different components of mixed gases were analyzed. ESR and FTIR experiments were used to investigate the effects of different gas mixtures on the activity of coal during low-temperature oxidation and the oxidation reaction of coal surface functional groups. The mechanism of chemical oxygen inhibition of mixed gas was studied by density functional theory. The results show that the larger the CO(2) component in the mixed gas, the higher the ability to inhibit coal oxidation. The concentration of free radicals in coal under dry air condition is higher than that under inert mixed gas condition during oxidation heating at 30-230 °C. The oxidation ability of -CH(3), -OH and oxygen-containing functional groups in the mixed gas reaction is inhibited. Through quantum chemistry calculation, it is found that the mixed gas increases the activation energy of free radicals and reduces the heat release of the reaction. This study provides theoretical reference for coal mine thermal disaster.

Language: en

Keywords

Free radical reaction; High-temperature environment; Inert mixed gas; Inhibit spontaneous combustion; Spontaneous combustion of coal