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Effect of O-containing functional groups produced by preoxidation on Zhundong coal gasification
Fuel Processing Technology ( IF 7.5 ) Pub Date : 2020-09-01 , DOI: 10.1016/j.fuproc.2020.106480
Deng Zhao , Hui Liu , Di Zhu , Ming Qin

Abstract Low-temperature preoxidation is being evaluated as a preprocessing technique in gasification, but the action mechanism of preoxidation is not yet well understood. The influence mechanism of O-containing functional groups formed by preoxidation on Zhundong coal gasification is detailed in this study. The effect of preoxidation on the gasification kinetics was studied using a micro-fluidized-bed reaction analyzer. Graphite oxide was used as a model compound to simulate coal. Chemical characterization and quantum chemistry calculations were combined to analyze the mechanism of action of preoxidation in gasification. The O-containing functional groups formed during preoxidation can significantly enhance the gasification reactivity and reduce the activation energy by 32%. Experiments with coal samples with a single metal added after pickling revealed that these O-containing functional groups facilitate the efficacy of metal catalysts, particularly for the easily deactivated chloride metal salts in Zhundong coal. The results of experiments controlling the O-containing functional groups on graphite, along with density functional theory calculations, indicated that the carbonyl group was most likely responsible for facilitating catalytic gasification. The carbonyl group can combine with the metal to form more catalytic active C–O–M centers, which strengthen the link between the metal and carbon matrix, thus promoting catalytic gasification.

中文翻译:

预氧化产生的含氧官能团对准东煤气化的影响

摘要 低温预氧化作为气化中的一种预处理技术正在被评估,但预氧化的作用机制尚不清楚。详细介绍了预氧化形成的含氧官能团对准东煤气化的影响机理。使用微流化床反应分析仪研究了预氧化对气化动力学的影响。氧化石墨被用作模拟煤的模型化合物。结合化学表征和量子化学计算,分析了气化过程中预氧化的作用机理。预氧化过程中形成的含氧官能团可显着提高气化反应活性,并使活化能降低32%。对酸洗后添加单一金属的煤样品进行的实验表明,这些含 O 的官能团促进了金属催化剂的功效,特别是对于准东煤中容易失活的氯化物金属盐。控制石墨上含氧官能团的实验结果以及密度泛函理论计算表明,羰基最有可能促进催化气化。羰基可以与金属结合形成更具催化活性的C-O-M中心,加强金属与碳基体之间的联系,从而促进催化气化。控制石墨上含氧官能团的实验结果以及密度泛函理论计算表明,羰基最有可能促进催化气化。羰基可以与金属结合形成更具催化活性的C-O-M中心,加强金属与碳基体之间的联系,从而促进催化气化。控制石墨上含氧官能团的实验结果以及密度泛函理论计算表明,羰基最有可能促进催化气化。羰基可以与金属结合形成更具催化活性的C-O-M中心,加强金属与碳基体之间的联系,从而促进催化气化。
更新日期:2020-09-01
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