期刊文献+

分子动力学模拟研究温度对合成酯绝缘油热解产气特性的影响

Effect of Temperature on the Pyrolysis Gas Production of Synthetic Ester Insulating Oil by Molecular Dynamics Simulation
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摘要 在全球能源转型与“双碳”目标推动下,构建新型电力系统已成为实现绿色低碳发展的关键环节。该系统中,电力设备绝缘介质的环保性与可靠性至关重要。传统矿物绝缘油因高温下易产生有害气体且难以降解,正逐渐被环保和热稳定性更优的新型绝缘油(如合成酯)所替代。为深入研究合成酯的热分解行为,以季戊四醇四异壬酸酯为研究对象,结合分子动力学模拟与实验验证方法,首先构建其分子模型,并利用LAMMPS软件模拟了其在系列高温下的裂解过程与产气特性。模拟结果表明,在2800 K时,乙烯与二氧化碳的产量达到峰值;当温度继续升高至3100 K时,乙烯的生成量则显著下降。尽管模拟温度远高于实验条件,但2800 K与3100 K的模拟产气特性与1023.15 K实验条件下的结果呈现出高度一致性。这一发现验证了分子动力学模拟在研究此类问题中的可靠性,为合成酯绝缘油的热解机理分析及其在设备故障诊断中的应用提供了重要的理论依据。 In the context of global energy transition and the“dual carbon”goals,the development of a new power system becomes a key path to achieving green and low-carbon development.Mineral insulating oil,which is widely used in transformers,produces harmful gases at high temperatures and is difficult to degrade,making it increasingly replaced by synthetic ester insulating oils with better thermal stability and biodegradability.To study the thermal decomposition behavior of synthetic ester insulating oils,this study integrates molecular dynamics simulations and experimental methods.A molecular model of pentaerythritol ester is constructed using molecular dynamics software,and the cracking process and gas generation characteristics under various temperature conditions are simulated using LAMMPS.The research results indicate that the highest yields of ethylene and carbon dioxide are achieved at a temperature of 2800 K.As the temperature increases,the number of ethylene molecules significantly decreases.Furthermore,the molecular dynamics simulation results at temperatures of 2800 K and 3100 K are in high agreement with the gas generation characteristics of synthetic ester under experimental conditions of 1 023. 15 K, validating the reliability of the simulation method. This provides important theoretical support for the pyrolysis mechanism and fault diagnosis of synthetic ester insulating oil.
作者 卢武 余光正 黄一鸣 齐伟惟 张俊 陈家其 LU Wu;YU Guangzheng;HUANG Yiming;QI Weiwei;ZHANG Jun;CHEN Jiaqi(School of Electrical Engineering,Shanghai University of Electric Power,Shanghai 200090,China;Hangzhou Vocational&Technical College,Hangzhou 310000,China;Shanghai Electric Cable Research Institute Co.,Ltd.,Shanghai 200093,China)
出处 《实验室研究与探索》 北大核心 2025年第12期7-11,共5页 Research and Exploration In Laboratory
基金 国家自然科学基金项目(51707113) 上海市自然科学基金项目(25ZR1402176)。
关键词 合成酯 热分解 分子动力学 产气特性 synthetic ester thermal decomposition molecular dynamics gas generation characteristics
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