Journal
INTERNATIONAL JOURNAL OF COAL PREPARATION AND UTILIZATION
Volume 43, Issue 12, Pages 2046-2064Publisher
TAYLOR & FRANCIS INC
DOI: 10.1080/19392699.2022.2151588
Keywords
Moisture content; coal gangue; thermogravimetric; molecular dynamics simulation; giant canonical Monte Carlo
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This study investigates the effects of water contents on the oxidation spontaneous combustion of coal gangue. The properties and combustion characteristics of coal gangue were analyzed, and the adsorption isotherms of oxygen and coal gangue under different water molecules were simulated. The results showed that higher moisture content led to higher combustion conversion rate and better spontaneous combustion effect.
To determine the effect of water contents on the oxidation spontaneous combustion of coal gangue, the properties and combustion characteristics of coal gangue were studied using industrial and elemental analyses and Thermo Gravimetry-Differential Scanning Calorimetry (TG-DSC). The molecular dynamics simulation (MDS) and giant regular Monte Carlo simulation (GCMC)were used to investigate the adsorption isotherms of oxygen and coal gangue (kaolinite) under different water molecules (400, 500, 600, 700). The results of thermogravimetric showed that with increasing moisture content, the characteristic temperature points T-3-T-5 of CG4 were much lower than those of the other samples, the combustion conversion rate is the highest and the spontaneous combustion effect is the best at the same temperature. The molecular simulation results show that under 700 water-oxygen system, the adsorption of oxygen molecules and kaolinite (001) surface is the strongest. The interface has the fewest water molecules and the largest diffusion coefficient.
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