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碳十烃类燃料的超临界裂解与点火性能
Supercritical cracking and ignition performance of C10 hydrocarbon fuels
【摘要】 使用吸热型碳氢燃料是缓解飞行器热管理问题的新途径,其冷却与推进性能取决于燃料的组成。通过超临界裂解实验与单滴燃烧实验,结合密度泛函理论(DFT)计算,考察了5种碳十烃类燃料的裂解与点火性能,分析了燃料关键组分的结构对热化学反应性能的影响。结果表明,5种碳十烃类燃料的超临界裂解转化率从高到低和点火延迟时间从短到长的顺序均为:正癸烷、丁基环己烷、十氢萘、挂式四氢双环戊二烯、四氢萘。基于自由基链式反应机理,燃料的裂解受C—C键和C—H键解离自由能共同影响。同为碳十烃类燃料,分子中氢碳原子数比越高,裂解转化率越高,点火性能越优。研究为先进碳氢燃料的设计、制备以及实际应用提供了基础数据和理论参考。
【Abstract】 Supercritical cracking and ignition performance of C10 hydrocarbon fuels.Journal of Zhejiang University(Science Abstract: Using endothermic hydrocarbon fuels as a novel approach to address thermal management issues in aircraft is well recognized, with their cooling and propulsion performance being contingent upon the composition of the fuel. Through supercritical cracking experiments, single droplet combustion tests, and density functional theory(DFT) calculations, the cracking and ignition performance of the five C10 hydrocarbon fuels were investigated. This work aimed to elucidate the influence of key structural components of the fuels on their thermochemical reaction performance. The results revealed that, in terms of both supercritical cracking conversion rates and ignition delay times, the order from highest to lowest among the five fuels was listed as follows: n-decane, butylcyclohexane, decalin, exo-tetrahydrodicyclopentadiene(THDCPD), and tetralin. Based on the free radical chain reaction mechanism, fuel cracking is influenced by the dissociation free energies of C—C and C—H bonds. Among the C10 hydrocarbon fuels studied, those with higher hydrogen-to-carbon atomic ratios exhibited higher cracking conversion rates and better ignition performance. These findings provide foundational data and theoretical insights for the design, synthesis, and practical application of advanced hydrocarbon fuels.
【Key words】 hydrocarbon fuels; supercritical cracking; ignition; structure-activity relationship;
- 【文献出处】 浙江大学学报(理学版) ,Journal of Zhejiang University(Science Edition) , 编辑部邮箱 ,2025年05期
- 【分类号】V31;TQ511
- 【下载频次】23