Inhibiting effect investigation of ammonium dihydrogen phosphate on oxidative pyrolysis characteristics of bituminous coal

• Published in: Fuel (Guildford) 2023-02, Vol.333, p.126352, Article 126352
• Main Authors: Yu, Chang-Fei, Jiang, Bingyou, Yuan, Liang, Zhang, Yi, Ji, Ben, Zheng, Yuannan, Ren, Bo
• Format: Article
• Language: English
• Subjects: Ammonium dihydrogen phosphate; Coal dust; Density functional theory; Free radical reaction; Thermal stability
• ISSN: 0016-2361
• DOI: 10.1016/j.fuel.2022.126352

[Display omitted] •Thermal stability and kinetics of bituminous coal mixed with ADP were investigated.•The gaseous products of bituminous coal mixed with ADP were analyzed by TG-FTIR.•The active reaction sites of bituminous coal were evaluated by DFT and Multiwfn.•The possible inhibition mechanism of bituminous coal mixed with ADP was discussed.•Quantum chemistry methods and thermal analysis technology were creatively combined. Coal dust seriously affects the safety of coal mines and the occupational health of coal miners. Inhibiting effect investigation of ammonium dihydrogen phosphate (ADP) on oxidative pyrolysis characteristics of bituminous coal (YM) by combining experimental methods with theoretical calculation methods in this study. The thermal stability and reaction kinetics of YM alone and mixed with ADP were evaluated via TGA-DSC tests. The results show that the whole reaction is divided into two stages. Moreover, the average apparent activation energy of oxidative pyrolysis of YM increases from 145.6 to 162.1 kJ mol−1 after adding ADP. TG-FTIR tests show that the gaseous products of YM during the oxidative pyrolysis process are mainly CO and CO2. The addition of ADP will not affect the types but the concentration of gaseous products. The reactivity of YM and four simplified basic monomers based on the Given model was calculated and discussed by using density functional theory and wave function analysis method. Afterwards, the possible inhibition mechanism of ADP on the free radical reaction of YM is discussed. The whole work is of great significance to safety in coal mines and provides a novel idea for coal dust prevention and control.