文献类型：期刊文献

中文题名：由乙烯焦油制备锂离子电池负极材料用碳质前驱体的氧化反应机理与反应动力学

英文题名：Thе оxidаtiоn rеасtiоn mесhаnism аnd its kinеtiсs fоr а саrbоnасеоus рrесursоr рrераrеd frоm еthуlеnе tаr fоr usе аs а саthоdе mаtеriаl fоr lithium-iоn bаttеriеs

作者：Guo, Tian-Rui[1]; Chen, Rong-Qi[1]; Gao, Wei[1]; Wang, Yan-Li[1]; Zhan, Liang[1]

机构：[1] State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai, 200237, China

年份：2024

卷号：39

期号：2

起止页码：354

外文期刊名：Xinxing Tan Cailiao/New Carbon Materials

收录：EI(收录号：20241515900616)

语种：中文

外文关键词：Activation energy - Aromatic compounds - Association reactions - Ethylene - Heating rate - Infrared radiation - Kinetics - Mass spectrometry - Oxidation - Reaction rates - Tar - Thermogravimetric analysis

摘要：The oxidation reaction mechanism and its kinetics for ethylene tar were investigated in order to obtain a suitable cathode material for Li-ion batteries. The oxidation of ethylene tar was divided into 3 stages (350–550, 550–700 and 700–900 K) according to the thermogravimetric curve. To reveal the oxidation reaction mechanism, the components of the gases evolved at different stages were analyzed by mass spectrometry and infrared technology. Based on these results the reaction was divided into 4 stages (323–400, 400–605, 605–750 and 750–860 K) to perform simulation calculations of the kinetics. Using the iso-conversion method (Coats-Redfern) to analyze the linear regression rates (R2) between 17 common reaction kinetics models and experimental data, an optimum reaction kinetics model for expressing the oxidation of ethylene tar was determined and the results were as follows. (1) During oxidation, the side chains of aromatic compounds first react with oxygen to form alcohols and aldehydes, leaving peroxy-radicals on aromatic rings. Subsequently, the aromatic compounds with peroxy-radicals undergo polymerization/condensation reactions to form larger molecules. (2) A fourth-order reaction model was used to describe the first 3 stages in the oxidation process, and the activation energies are 47.33, 18.69 and 9.00 kJ·mol?1 at 323–400, 400–605, 605–750 K, respectively. A three-dimensional diffusion model was applied to the fourth stage of the oxidation process, and the activation energy is 88.37 kJ·mol?1 at 750–860 K. A high softening point pitch was also produced for use as a coating of the graphite anode, and after it had been applied the capacity retention after 300 cycles increased from 51.54% to 79.07%. ? 2024 Science Press. All rights reserved.