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

GUO Tian-rui; CHEN Rong-qi; GAO Wei; WANG Yan-li; ZHAN Liang

doi:10.1016/S1872-5805(22)60597-3

Volume 39 Issue 2

Apr. 2024

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GUO Tian-rui, CHEN Rong-qi, GAO Wei, WANG Yan-li, ZHAN Liang. 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. New Carbon Mater., 2024, 39(2): 354-366. doi: 10.1016/S1872-5805(22)60597-3

Citation:

GUO Tian-rui, CHEN Rong-qi, GAO Wei, WANG Yan-li, ZHAN Liang. 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. New Carbon Mater., 2024, 39(2): 354-366. doi: 10.1016/S1872-5805(22)60597-3

Citation:

GUO Tian-rui, CHEN Rong-qi, GAO Wei, WANG Yan-li, ZHAN Liang. 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. New Carbon Mater., 2024, 39(2): 354-366. doi: 10.1016/S1872-5805(22)60597-3

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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

doi: 10.1016/S1872-5805(22)60597-3

State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China

Funds: This work was financially supported by the National Natural Science Foundation of China (51472086, 51002051, U1710252, 50730003, 50672025, 20806024 and 22075081)

More Information

Author Bio:
郭天瑞. E-mail：guo_tianrui@sina.com
Corresponding author: ZHAN Liang, Professor. E-mail: zhanliang@ecust.edu.cn
Received Date: 2021-08-30
Rev Recd Date: 2021-11-04

Available Online: 2022-01-05

Publish Date: 2024-04-20

Abstract

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-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%.
- Ethylene tar,
- Oxidation reaction mechanism,
- Reaction kinetics,
- Carbonaceous precursor,
- Lithium-ion batteries

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References(38)

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