Synergistic mechanism of CO2 and active functional groups during low temperature oxidation of lignite

Gao, Jing; Chu, Ruizhi; Meng, Xiuxia; Yang, Jianyun; Yang, Deguang; Li, Xiao; Lou, Wentao

doi:10.1016/j.fuel.2020.118407

Cited by 27 publications

(4 citation statements)

References 34 publications

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“…According to the unique properties of different coal, especially the characteristic temperature and the formation of signature gas during spontaneous combustion, the effects of various inhibition techniques are evaluated. In recent years, blocking mechanism and gel foam have become hot topics and have widely drawn the attention of academia and industry, and many scholars have focused their research on the blocking mechanism of anti-fire gels [110][111][112][113][114]. The rapid development of computer technology and software technology is promoting the progress of scientific research with unprecedented efforts, especially in the field of MFPC; the numerical simulation of various inhibition technologies has gradually emerged and become the focus of academic and industrial attention [115][116][117][118][119][120][121][122].…”

Section: Keyword Clusteringmentioning

confidence: 99%

Spatiotemporal Evolution and Frontier Focus Analysis Based on Coal Fire Control Body of Knowledge

Han,

Niu,

Liu

et al. 2024

Fire

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Mine fire accidents frequently constitute a major threat to mining safety, and their potential consequences are extremely severe, which highlights the urgency of fire prevention and control research. In this study, the CiteSpace software was used to conduct a metrological analysis of 717 relevant studies in the field of mine fire prevention and control (MFPC), aiming to reveal the research trends and trends in this field. This analysis found that the annual number of MFPC articles showed a significant upward trend, indicating that it is in rapid development during the active period. China, the United States, and Australia are the main contributors in this field, and the institutional contribution of China University of Mining and Technology is particularly outstanding, reflecting the regional concentration of research activities. The analysis of cooperation networks reveals the close cross-regional collaboration among European countries. The inhibition effect and evaluation criteria and the inhibition technology under different coal characteristics have become the focus of research. Activation energy, release, and quantum chemistry have become recent hot spots, reflecting the research on the mechanism of forward physicochemical synergistic inhibition and the in-depth exploration of the molecular level. It indicates that future research will focus on the development of temperature-responsive retardant materials, the application of quantum chemistry theory, and the exploration of the microscopic mechanism of coal spontaneous combustion through molecular simulation technology to further optimize the fire prevention strategy. In summary, the findings of this study not only provide a comprehensive picture of current research activities in the MFPC field but also indicate potential directions for future research and have important guiding significance for promoting the development of this field.

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Section: Keyword Clusteringmentioning

confidence: 99%

Spatiotemporal Evolution and Frontier Focus Analysis Based on Coal Fire Control Body of Knowledge

Han,

Niu,

Liu

et al. 2024

Fire

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“…In recent years, the rapid development of computer technology has enabled the exploration of the mechanism of coal spontaneous combustion from a microscopic perspective with the help of quantum chemical computing tools. − Wang et al examined a series of cyclic chain reactions involved in the low-temperature oxidation of coal and the reaction paths of various free radicals through quantum chemical calculation methods. Their work established that peroxy radicals are essential to this process and that hydrocarbon radicals obtained from aliphatic hydrocarbon side chains on coal molecules are attacked by oxygen molecules to produce peroxides that are subsequently decomposed by heat to generate new reactive radicals .…”

Section: Introductionmentioning

confidence: 99%

Study on the Formation Mechanism of Acetaldehyde during the Low-Temperature Oxidation of Coal

Wang

Zhou

et al. 2022

ACS Omega

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The threshold dilution ratio of acetaldehyde is much larger than those of other odor compounds generated during the spontaneous combustion process and so it is the most important odorant. Studying the mechanism by which acetaldehyde is generated can provide the necessary theoretical support for acetaldehyde-based odor analysis. In the present work, the release of acetaldehyde was monitored while heating lignite, long-flame coal, and coking coal specimens under either air or nitrogen. The data show that acetaldehyde was primarily produced by the oxidation of active sites in the coal rather than by the pyrolysis of oxygen-containing functional groups. Based on quantum chemistry and coal−oxygen reaction theory, the transition state approach was used to further study the formation of acetaldehyde during the low-temperature oxidation of coal. Using density functional theory, three different coal molecule structures were modeled and optimized structures for acetaldehyde formation and the energies, bond lengths, and virtual frequencies of each reaction stagnation point were obtained at the B3LYP-D3/6-311G** and M062X-D3/Def2-TZVP levels. The results indicate that the low-temperature oxidation of coal to generate acetaldehyde involves the capture of H atoms from aliphatic side chains to generate peroxy radicals. These radicals then attack unsaturated C atoms through complex inversions to generate peroxides. In the third step of this process, the O−O single bonds in the peroxides break in response to thermal energy to form carbonyl groups. Finally, specific C−C or C−O bonds on the aliphatic side chains are thermally cleaved to generate acetaldehyde.

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“…Zheng et al studied the multicomponent gases’ competitive adsorption properties and its effects on the coal oxidations, which were investigated by a gas adsorption analyzer and in situ FTIR spectroscopy. Gao et al . studied the synergistic mechanism of CO 2 and active functional groups during the low temperature oxidation of lignite.…”

Section: Introductionmentioning

confidence: 99%

“…Zheng et al 23 studied the multicomponent gases' competitive adsorption properties and its effects on the coal oxidations, which were investigated by a gas adsorption analyzer and in situ FTIR spectroscopy. Gao et al 24 studied the synergistic mechanism of CO 2 and active functional groups during the low temperature oxidation of lignite. Zhang et al 25 used thermal analysis and a programmed temperature rise to study the influence of N 2 on secondary coal oxidation from the aspects of thermal behavior and fire-extinguishing ability of secondary coal oxidation.…”

Section: Introductionmentioning

confidence: 99%

A Study on the Effect of Coal Metamorphism on the Adsorption Characteristics of a Binary Component System: CO₂ and N₂

Zhu

Xie

et al. 2020

ACS Omega

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At present, there is little research on the multicomponent gas adsorption characteristics of coal with different metamorphisms. In this study, DH (low metamorphism), FGZ (medium metamorphism), and DSC (high metamorphism) coal samples were selected as the microscopic research objects, and the molecular models of them were constructed by means of elemental analysis, 13C NMR, and X-ray. The adsorption characteristics of coal with different metamorphisms under the binary component system (CO2 and N2) were explored by experiments and simulations at 298 K and 1000 kPa. The results showed that in the binary component system gas environment, the adsorption strength of CO2 is stronger than that of N2. DH has the highest isosteric heat of adsorption, and the adsorption strengths of CO2 and N2 is stronger than that for FGZ and DSC. The adsorption amounts of CO2 and N2 by three coal molecules are ranked as DH > FGZ > DSC. The sequence of adsorption selectivity of CO2/N2 is DH > FGZ > DSC > 1, which demonstrates the stronger competitiveness of CO2 than N2. The adsorption selectivity of CO2/N2 for DH is stronger than that for DSC. However, with the increase of the CO2 component, the adsorption selectivity of CO2/N2 for DH has a great influence, while DSC is relatively stable. The simulation results display a good agreement with the experimental results. The research can improve the accuracy and efficiency of inert injection measures and has guiding significance for the prevention and control of coal spontaneous combustion accidents by inert injection.

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Synergistic mechanism of CO2 and active functional groups during low temperature oxidation of lignite

Cited by 27 publications

References 34 publications

Spatiotemporal Evolution and Frontier Focus Analysis Based on Coal Fire Control Body of Knowledge

Spatiotemporal Evolution and Frontier Focus Analysis Based on Coal Fire Control Body of Knowledge

Study on the Formation Mechanism of Acetaldehyde during the Low-Temperature Oxidation of Coal

A Study on the Effect of Coal Metamorphism on the Adsorption Characteristics of a Binary Component System: CO₂ and N₂

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Synergistic mechanism of CO2 and active functional groups during low temperature oxidation of lignite

Cited by 27 publications

References 34 publications

Spatiotemporal Evolution and Frontier Focus Analysis Based on Coal Fire Control Body of Knowledge

Spatiotemporal Evolution and Frontier Focus Analysis Based on Coal Fire Control Body of Knowledge

Study on the Formation Mechanism of Acetaldehyde during the Low-Temperature Oxidation of Coal

A Study on the Effect of Coal Metamorphism on the Adsorption Characteristics of a Binary Component System: CO2 and N2

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Product

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A Study on the Effect of Coal Metamorphism on the Adsorption Characteristics of a Binary Component System: CO₂ and N₂