新型炭材料（中英文）2024，Vol.39Issue(2)：354-366,13.DOI:10.1016/S1872-5805(22)60597-3
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
The oxidation reaction mechanism and its kinetics for a carbonaceous precursor prepared from ethylene tar for use as an anode material for lithium-ion batteries
摘要
Abstract
The oxidation reaction mechanism and its kinetics for ethylene tar were investigated in order to obtain a suitable anode 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-Red-fern)to analyze the linear regression rates(R2)between 17 common reaction kinetics models and experimental data,an optimum re-action kinetics model for expressing the oxidation of ethylene tar was determined and the results were as follows.(1)During oxida-tion,the side chains of aromatic compounds first react with oxygen to form alcohols and aldehydes,leaving peroxy-radicals on aro-matic rings.Subsequently,the aromatic compounds with peroxy-radicals undergo polymerization/condensation reactions to form lar-ger 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％.关键词
乙烯焦油/氧化反应机理/反应动力学/碳质前驱体/锂离子电池Key words
Ethylene tar/Oxidation reaction mechanism/Reaction kinetics/Carbonaceous precursor/Lithium-ion batteries分类
化学化工引用本文复制引用
郭天瑞,陈荣起,高伟,王艳莉,詹亮..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[J].新型炭材料（中英文）,2024,39(2):354-366,13.基金项目
This work was financially supported by the Na-tional Natural Science Foundation of China(51472086,51002051,U1710252,50730003,50672025,20806024 and 22075081). 国家自然科学基金(51472086、51002051、U1710252、50730003、50672025、20806024、22075081). （51472086,51002051,U1710252,50730003,50672025,20806024 and 22075081）
