A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study

Jiao, Tingting; Fan, Huili; Liu, Shoujun; Yang, Song; Du, Wei; Shi, Pengzheng; Yang, Chao; Wang, Yeshuang; Ju, Sheng

doi:10.1016/j.cjche.2021.05.010

Cited by 29 publications

(6 citation statements)

References 133 publications

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“…Previous studies commonly suggest that the gas adsorption capacity of coal is influenced by micro- and mesopores [ 41 , 42 , 43 ]. However, the analysis of pore structure in this study reveals that there is no evident linear relationship between porosity, micropore volume, or specific surface area and coal reservoir adsorption capacity, particularly for lignite and bituminous coal [ 44 , 45 ].…”

Section: Discussionmentioning

confidence: 99%

Three-Dimensional Pore Structure Characterization of Bituminous Coal and Its Relationship with Adsorption Capacity

Jia

Dong

et al. 2023

Materials

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Bituminous coal reservoirs exhibit pronounced heterogeneity, which significantly impedes the production capacity of coalbed methane. Therefore, obtaining a thorough comprehension of the pore characteristics of bituminous coal reservoirs is essential for understanding the dynamic interaction between gas and coal, as well as ensuring the safety and efficiency of coal mine production. In this study, we conducted a comprehensive analysis of the pore structure and surface roughness of six bituminous coal samples (1.19% < Ro,max < 2.55%) using various atomic force microscopy (AFM) techniques. Firstly, we compared the microscopic morphology obtained through low-pressure nitrogen gas adsorption (LP-N2-GA) and AFM. It was observed that LP-N2-GA provides a comprehensive depiction of various pore structures, whereas AFM only allows the observation of V-shaped and wedge-shaped pores. Subsequently, the pore structure analysis of the coal samples was performed using Threshold and Chen’s algorithms at ×200 and ×4000 magnifications. Our findings indicate that Chen’s algorithm enables the observation of a greater number of pores compared to the Threshold algorithm. Moreover, the porosity obtained through the 3D algorithm is more accurate and closely aligns with the results from LP-N2-GA analysis. Regarding the effect of magnification, it was found that ×4000 magnification yielded a higher number of pores compared to ×200 magnification. The roughness values (Rq and Ra) obtained at ×200 magnification were 5–14 times greater than those at ×4000 magnification. Interestingly, despite the differences in magnification, the difference in porosity between ×200 and ×4000 was not significant. Furthermore, when comparing the results with the HP-CH4-GA experiment, it was observed that an increase in Ra and Rq values positively influenced gas adsorption, while an increase in Rsk and Rku values had an unfavorable effect on gas adsorption. This suggests that surface roughness plays a crucial role in gas adsorption behavior. Overall, the findings highlight the significant influence of different methods on the evaluation of pore structure. The 3D algorithm and ×4000 magnification provide a more accurate description of the pore structure. Additionally, the variation in 3D surface roughness was found to be related to coal rank and had a notable effect on gas adsorption.

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Section: Discussionmentioning

confidence: 99%

Three-Dimensional Pore Structure Characterization of Bituminous Coal and Its Relationship with Adsorption Capacity

Jia

Dong

et al. 2023

Materials

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“…N2 is also considered inert and only used as a mass train (Wu et al, 2016). It is known that the nitrogen content is still relatively stable to a temperature of 600 °C (Pels et al, 1995) and requires a temperature that can be reached up to 1200 °C to be able to react to the process of pyrolysis coal (Jiao et al, 2021) so the selection of N2 as inert in this study is still entirely appropriate. In terms of validation, the isothermal contour distribution of the study results is comparable to the exact parameters of reference (Zhu et al, 2013) through Figure 2.…”

Section: Model Assumptionmentioning

confidence: 99%

Modeling of Coal Spontaneous Fire in A Large-Scale Stockpile

Thabari¹,

Auzani²,

Nirbito³

et al. 2023

IJTech

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The increasing need for energy consumption has resulted in the use of energy sources in coal continuing to increase. The transportation and distribution activities of coal also cause the pile to be exposed to heat when it is in a pile. Due to the kinetic characteristics of low-rank coal, the pile is very susceptible to spontaneous fire processes. Of course, this spontaneous fire phenomenon harms the safety and economic aspects of the coal pile. This study aims to model finite elements using Multiphysics simulation to determine the effect of the relative humidity of the pile on the temperature distribution of large-scale coal piles. Thus, handling methods and things that must be considered in storing and transporting coal piles can be formulated. Thermal phenomena modelling in coal piles is modeled using COMSOL Multiphysics software. The simulation is carried out by varying relative humidity of the environmental conditions (ambient). The simulation results show that this parameter can change the level of vulnerability of the pile to burn at an earlier time.

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“…Zheng et al 43 suggested that H radicals were associated with the stabilization reactions to produce stable tar products. In addition, Jiao et al 44 highlighted that H radicals were also key factors in controlling the conversion of N-heterocycles to nitrogen-containing gases. In this regard, OH radicals can also attack N-heterocycles, leading to the opening of the corresponding rings.…”

Section: Synergistic Effect On Nitrogen Migration During Sludge/coal ...mentioning

confidence: 99%

Investigation of N Migration during Municipal Sludge/Coal Co-Pyrolysis via ReaxFF Molecular Dynamics

Xu,

Hong,

Wang

et al. 2023

Energy Fuels

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A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study

Cited by 29 publications

References 133 publications

Three-Dimensional Pore Structure Characterization of Bituminous Coal and Its Relationship with Adsorption Capacity

Three-Dimensional Pore Structure Characterization of Bituminous Coal and Its Relationship with Adsorption Capacity

Modeling of Coal Spontaneous Fire in A Large-Scale Stockpile

Investigation of N Migration during Municipal Sludge/Coal Co-Pyrolysis via ReaxFF Molecular Dynamics

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