收藏切换
Analyzing the Pyrolysis Kinetics and Pyrolysis Gases of Gassing Materials Using ReaxFF
收藏切换
PDF
Qian Wang1, Wanmeng Zhao1, Weidong Cao2, Yi Shang1
Transactions of China Electrotechnical Society | 2025, 40(10) : 3082 - 3096
Less
收藏切换
Transactions of China Electrotechnical Society | 2025, 40(10): 3082-3096
Analyzing the Pyrolysis Kinetics and Pyrolysis Gases of Gassing Materials Using ReaxFF
Full
Qian Wang1, Wanmeng Zhao1, Weidong Cao2, Yi Shang1
Affiliations
  • 1 School of Sciences Xi’an University of Technology Xi’an 710048 China
  • 2 State Key Laboratory of Electrical Insulation and Power Equipment Xi’an Jiaotong University Xi’an 710049 China
Published: 2025-05-25 doi: 10.19595/j.cnki.1000-6753.tces.240616
Outline
收藏切换

In recent years, the rapid development of renewable energy has posed a significant challenge to the breaking capacity of DC circuit breakers in power systems. Gas-blowing arc extinguishing technology based on gassing materials can greatly enhance the breaking capacity of DC circuit breakers. However, the macroscopic and microscopic pyrolysis mechanisms of gassing materials are unclear.

Firstly, the micro-pyrolysis mechanism of typical gassing material polyamide 66 (PA66) at different pyrolysis temperatures and rates was analyzed based on the reactive force field (ReaxFF). The decomposition process of PA66 and the types and quantities of small molecule gases produced were discussed. It was found that the initial bond breaking of PA66 occurred in the C—C bond adjacent to the amide group. H2 and H2O were the main pyrolysis gases of PA66, and their production process was analyzed. The reaction rate of carbon-free small molecule gas at high temperatures accelerates, and the amount increases. The product amount with carbon atoms below four increases rapidly and decreases slightly after reaching a peak. The main reasons are the Diels-Alder reaction, C3/C4 reaction, and cyclization reaction in the unsaturated hydrocarbons in the product, which leads to the decrease of hydrocarbon molecules. The temperature increase aggravates the disintegration of the PA66 molecular chain and the formation of small molecular gas. The heating rate of the system affects the distribution of heat in the reaction system, thus affecting the formation of the product. The slower the heating rate of the system, the more conducive to the uniform distribution of heat in the reaction system. Additionally, the amount of carbon deposition during pyrolysis at 2 600 K was analyzed. Light tar was dominant, followed by heavy tar, with the least amount of coke.

Subsequently, pyrolysis experiments at four different heating rates were carried out. Based on the Flynn-Wall-Ozawa isoconversional model, the average activation energy of PA66 was 194.85 kJ/mol, which was very close to the activation energy of 195.015 kJ/mol obtained by molecular dynamics simulation. Additionally, the pyrolysis gas distribution of PA66 was analyzed by pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) experiments, which verified the accuracy and reliability of the pyrolysis kinetics calculation method. PA66 is suitable for the first-order reaction kinetic model, and the simulation data have high accuracy and reliability for the thermal decomposition reaction path and gas type of PA66 at the microscale.

Finally, simulation calculations and arcing experiments of three gas-producing materials, PA6, PA46, and PA66, were carried out. The gas generation rate and quantity changes during pyrolysis were observed, and the transient pressure changes during the arc-breaking experiment were analyzed. The order of transient pressure generated during the arcing process is PA6>PA46>PA66, consistent with the trend of the number of product gas molecules obtained by simulation calculation. The ReaxFF simulation results are confirmed and supplemented with the arc-breaking experiment, further verifying the reliability and accuracy of the research.

This paper offers a theoretical framework for understanding the macroscopic pyrolysis behavior and the microscopic pyrolysis mechanism of gassing materials. It contributes to a deep comprehension of material behavior under high-temperature and arc conditions, laying a methodological foundation for evaluating the performance of gassing materials in DC circuit breakers.

PA66  /  thermal decomposition kinetics  /  activation energy  /  gassing materials  /  reactive force field (ReaxFF)
Qian Wang, Wanmeng Zhao, Weidong Cao, Yi Shang. Analyzing the Pyrolysis Kinetics and Pyrolysis Gases of Gassing Materials Using ReaxFF[J]. Transactions of China Electrotechnical Society, 2025 , 40 (10) : 3082 -3096 . DOI: 10.19595/j.cnki.1000-6753.tces.240616
Year 2025 volume 40 Issue 10
PDF
274
113
Cite this Article
BibTeX
Article Info
doi: 10.19595/j.cnki.1000-6753.tces.240616
  • Receive Date:2024-04-22
  • Online Date:2025-11-12
  • Published:2025-05-25
Article Data
Affiliations
History
  • Received:2024-04-22
  • Revised:2024-05-28
Funding
Affiliations
    1 School of Sciences Xi’an University of Technology Xi’an 710048 China
    2 State Key Laboratory of Electrical Insulation and Power Equipment Xi’an Jiaotong University Xi’an 710049 China
References
Share
https://castjournals.cast.org.cn/joweb/dgjsxb/EN/10.19595/j.cnki.1000-6753.tces.240616
Share to
QR

Scan QR to access full text

Cite this article
BibTeX
Citations
表12种不同金属材料的力学参数

Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)

Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
关闭全屏
  • BibTeX
  • EndNote
  • RefWorks
  • TxT