{"title":"Experimental investigation and molecular reaction mechanism of methane/powdered coal deflagrations inhibited by neosynthetic fly-ash inhibitors","authors":"","doi":"10.1016/j.psep.2024.08.120","DOIUrl":null,"url":null,"abstract":"<div><p>This study probes the macroscopic characteristics and microscopic mechanism of novel synthetic fly-ash-containing modified deflagration inhibitors in inhibiting methane/powdered coal deflagrations. The microscopic properties of the raw samples and post-deflagration residues were comparatively analyzed based on the macroscopic deflagration tests. Additionally, the inhibition mechanisms of fly ash loaded with nitrogenous-containing compounds (MFAC) and fly ash loaded with nitrogen- and phosphorus-containing compounds (PMFAC) in methane/powdered coal deflagration were microscopically interpreted using quantum chemical simulations. The results indicated that MFAC exhibited a weak inhibitory effect but a strong promoting effect when the concentration reached 50 g/m³; it exhibited a strong inhibitory effect when the concentration exceeded 100 g/m³. PMFAC demonstrated a stronger inhibitory effect with increasing concentration, especially in inhibiting the flame behavior and pressure parameters. Moreover, the analysis of post-deflagration residues revealed that PMFAC effectively inhibited the deflagration chemical reactions involved in methane/powdered coal and the as-obtained products. Furthermore, during the deflagration, MFAC primarily absorbed reactive free radicals (•H/•O/•OH) via the amino groups, whereas PMFAC was additionally attacked by phosphorus-containing groups, which functioned as electrophilic sites. Finally, MFAC and PMFAC exerted a cold-wall effect on flame propagation, hindered the production of active radicals, and terminated the propagation of chain reactions involved in methane/powdered coal deflagrations.</p></div>","PeriodicalId":20743,"journal":{"name":"Process Safety and Environmental Protection","volume":null,"pages":null},"PeriodicalIF":6.9000,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Process Safety and Environmental Protection","FirstCategoryId":"93","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0957582024010930","RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
This study probes the macroscopic characteristics and microscopic mechanism of novel synthetic fly-ash-containing modified deflagration inhibitors in inhibiting methane/powdered coal deflagrations. The microscopic properties of the raw samples and post-deflagration residues were comparatively analyzed based on the macroscopic deflagration tests. Additionally, the inhibition mechanisms of fly ash loaded with nitrogenous-containing compounds (MFAC) and fly ash loaded with nitrogen- and phosphorus-containing compounds (PMFAC) in methane/powdered coal deflagration were microscopically interpreted using quantum chemical simulations. The results indicated that MFAC exhibited a weak inhibitory effect but a strong promoting effect when the concentration reached 50 g/m³; it exhibited a strong inhibitory effect when the concentration exceeded 100 g/m³. PMFAC demonstrated a stronger inhibitory effect with increasing concentration, especially in inhibiting the flame behavior and pressure parameters. Moreover, the analysis of post-deflagration residues revealed that PMFAC effectively inhibited the deflagration chemical reactions involved in methane/powdered coal and the as-obtained products. Furthermore, during the deflagration, MFAC primarily absorbed reactive free radicals (•H/•O/•OH) via the amino groups, whereas PMFAC was additionally attacked by phosphorus-containing groups, which functioned as electrophilic sites. Finally, MFAC and PMFAC exerted a cold-wall effect on flame propagation, hindered the production of active radicals, and terminated the propagation of chain reactions involved in methane/powdered coal deflagrations.
期刊介绍:
The Process Safety and Environmental Protection (PSEP) journal is a leading international publication that focuses on the publication of high-quality, original research papers in the field of engineering, specifically those related to the safety of industrial processes and environmental protection. The journal encourages submissions that present new developments in safety and environmental aspects, particularly those that show how research findings can be applied in process engineering design and practice.
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