Mechanisms of CO and CO<sub>2</sub> Production during the Low-Temperature Oxidation of Coal: Molecular Simulations and Experimental Research
The spontaneous combustion of coal caused by oxidation often leads to catastrophic fires. However, the understanding of oxidized carbon gas as a predictor of coal’s spontaneous combustion is still in its infancy. To better study the characteristics of CO<sub>2</sub> and CO generation dur...
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| Format: | Article |
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MDPI AG
2023-12-01
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| Online Access: | https://www.mdpi.com/2571-6255/6/12/475 |
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| author | Yongjing Wang Yong Sun Lihui Dai Kun Wang Gang Cheng |
| author_facet | Yongjing Wang Yong Sun Lihui Dai Kun Wang Gang Cheng |
| author_sort | Yongjing Wang |
| collection | DOAJ |
| description | The spontaneous combustion of coal caused by oxidation often leads to catastrophic fires. However, the understanding of oxidized carbon gas as a predictor of coal’s spontaneous combustion is still in its infancy. To better study the characteristics of CO<sub>2</sub> and CO generation during low-temperature coal oxidation, the chemical reactions and activation energies during the formation of oxidized carbon gases within coal molecules were investigated using the molecular simulation method, and the reaction characteristics at different temperatures were determined. In addition, TG was used to experimentally analyze the variations in coal weight, exothermic conditions, and gas generation patterns. The results show that the low-temperature oxidation process consists of four different phases, each of which is characterized by unique CO and CO<sub>2</sub> generation. The results of this study are important for the prevention and prediction of the spontaneous combustion of coal. |
| first_indexed | 2024-03-08T20:46:40Z |
| format | Article |
| id | doaj.art-48c3b802595a43329e91d5c38e7ba6c4 |
| institution | Directory Open Access Journal |
| issn | 2571-6255 |
| language | English |
| last_indexed | 2024-03-08T20:46:40Z |
| publishDate | 2023-12-01 |
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| series | Fire |
| spelling | doaj.art-48c3b802595a43329e91d5c38e7ba6c42023-12-22T14:08:07ZengMDPI AGFire2571-62552023-12-0161247510.3390/fire6120475Mechanisms of CO and CO<sub>2</sub> Production during the Low-Temperature Oxidation of Coal: Molecular Simulations and Experimental ResearchYongjing Wang0Yong Sun1Lihui Dai2Kun Wang3Gang Cheng4College of Safety, China Coal Research Institute, Beijing 100013, ChinaCCTEG Shenyang Research Institute, Fushun 113122, ChinaCCTEG Shenyang Research Institute, Fushun 113122, ChinaCCTEG Shenyang Research Institute, Fushun 113122, ChinaSchool of Geology and Mining Engineering, Xinjiang University, Urumqi 830047, ChinaThe spontaneous combustion of coal caused by oxidation often leads to catastrophic fires. However, the understanding of oxidized carbon gas as a predictor of coal’s spontaneous combustion is still in its infancy. To better study the characteristics of CO<sub>2</sub> and CO generation during low-temperature coal oxidation, the chemical reactions and activation energies during the formation of oxidized carbon gases within coal molecules were investigated using the molecular simulation method, and the reaction characteristics at different temperatures were determined. In addition, TG was used to experimentally analyze the variations in coal weight, exothermic conditions, and gas generation patterns. The results show that the low-temperature oxidation process consists of four different phases, each of which is characterized by unique CO and CO<sub>2</sub> generation. The results of this study are important for the prevention and prediction of the spontaneous combustion of coal.https://www.mdpi.com/2571-6255/6/12/475low-temperature coal oxidationCOCO<sub>2</sub>molecular simulationTG |
| spellingShingle | Yongjing Wang Yong Sun Lihui Dai Kun Wang Gang Cheng Mechanisms of CO and CO<sub>2</sub> Production during the Low-Temperature Oxidation of Coal: Molecular Simulations and Experimental Research Fire low-temperature coal oxidation CO CO<sub>2</sub> molecular simulation TG |
| title | Mechanisms of CO and CO<sub>2</sub> Production during the Low-Temperature Oxidation of Coal: Molecular Simulations and Experimental Research |
| title_full | Mechanisms of CO and CO<sub>2</sub> Production during the Low-Temperature Oxidation of Coal: Molecular Simulations and Experimental Research |
| title_fullStr | Mechanisms of CO and CO<sub>2</sub> Production during the Low-Temperature Oxidation of Coal: Molecular Simulations and Experimental Research |
| title_full_unstemmed | Mechanisms of CO and CO<sub>2</sub> Production during the Low-Temperature Oxidation of Coal: Molecular Simulations and Experimental Research |
| title_short | Mechanisms of CO and CO<sub>2</sub> Production during the Low-Temperature Oxidation of Coal: Molecular Simulations and Experimental Research |
| title_sort | mechanisms of co and co sub 2 sub production during the low temperature oxidation of coal molecular simulations and experimental research |
| topic | low-temperature coal oxidation CO CO<sub>2</sub> molecular simulation TG |
| url | https://www.mdpi.com/2571-6255/6/12/475 |
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