Suppression of different functional group modified powders on 9.5% CH4-air explosion and molecular simulation mechanism |
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| Institution: | 1. School of Safety Science and Engineering, Henan Polytechnic University, Jiaozuo 454003, PR China;2. State Key Laboratory of Coal Mine Disaster Dynamics and Control, Chongqing University, Chongqing 400044, PR China;1. School of Emergency Management and Safety Engineering, China University of Mining and Technology (Beijing), Beijing 100083, China;2. China Academy of Safety Science and Technology, Beijing 100012, China;3. Beijing Key Laboratory for Precise Mining of Intergrown Energy and Resources, China University of Mining and Technology (Beijing), Beijing 100083, China;4. Key Laboratory of Environmental Change and Natural Disaster, Ministry of Education, Beijing Normal University, Beijing 100875, China;5. State Key Laboratory of Coal Resources and Safe Mining, China University of Mining & Technology (Beijing), Beijing 100083, China;1. School of Safety Science and Engineering, Xi’an University of Science and Technology, Xi’an, Shaanxi 710054, PR China;2. Shaanxi Key Laboratory of Prevention and Control of Coal Fire, Xi’an University of Science and Technology, Xi’an, Shaanxi 710054, PR China;3. School of Chemistry and Environmental Engineering, Sichuan University of Science and Engineering, Zigong, Sichuan 643000, PR China |
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| Abstract: | Thiol and urea functionalized montmorillonite powders were successfully prepared by silane coupling agent treatments in this work. The pyrolysis characteristics, surface functional groups, and distribution of particle size of untreated montmorillonite powders (Mt), the hydroxyl functionalized montmorillonite (O–Mt), the urea functionalized montmorillonite (N–Mt), and the thiol functionalized montmorillonite (S–Mt), which was derived from the previous research, were respectively characterized by utilizing the thermogravimetric differential scanning calorimetry, Fourier transform infrared spectroscopy, as well as the laser particle analyzer. The suppression effect of the S–Mt, O–Mt, Mt, and N–Mt on a 9.5% CH4 explosion was tested in the duct system (5 L). The obtained results indicated that N–Mt and O–Mt exhibited a better explosion suppression effect than Mt and S–Mt at the same mass concentration. Additionally, the methane/air explosion suppression mechanism of these powders could be explained by molecular simulation results that indicated the negatively electrophilic potential regions exist on the surface of O–Mt and N–Mt. Moreover, NH4?、 NCO? and ?OH radicals, which can interrupt explosive chain reactions, were easily generated by N–Mt and O–Mt. |
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| Keywords: | Methane explosion Explosion suppression Functional group modified powders Molecular simulation |
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