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RP-3航空煤油化学反应机理研究及其超声速燃烧仿真应用

发布时间:2018-01-19 20:51

  本文关键词: RP-3航空煤油 化学反应机理 过渡态计算 简化机理 超声速燃烧 仿真研究 出处:《北京交通大学》2017年硕士论文 论文类型:学位论文


【摘要】:由于具有超强动力特性,超燃冲压发动机的军事战略地位极高,基于此,世界各国近年来开展了大量超声速燃烧相关的研究工作,但超声速燃烧仿真面临着湍流与化学反应动力学的双重困难,因而航空煤油的化学反应机理研究是超声速燃烧的一个重要研究方向。本文通过对国产RP-3航空煤油进行研究,明确了其主要由链烷烃、芳香烃及环烷烃构成,经论证分析,采用正十二烷替代链烷烃组分,对二甲苯或乙基苯替代芳香烃组分,三甲基环己烷或丙基环己烷替代环烷烃组分,通过排列组合,共提出了四种不同组合的RP-3航空煤油替代燃料。对于多种组分构成的替代燃料,本文采用大分子子机理加小分子核心机理的方法来构建其化学反应机理。对于已有完整化学反应机理的组分:正十二烷、对二甲苯、乙基苯、三甲基环己烷,采用相关手段提取得到了它们的大分子子机理,而丙基环己烷则是通过Gaussian计算获得了其大分子子机理,小分子核心机理采用的是比较通用的USC-Ⅱ机理。最终,与实验结果验证对比的结果表明由正十二烷、乙基苯及丙基环己烷构成的替代燃料的机理较为适用。应用该机理进行超声速燃烧仿真之前,为平衡CFD仿真的计算成本,本文首先采用ReaxRed程序包对详细机理进行了 DGR简化和CSP简化,得到了一个85组分346步基元反应的简化机理,然后利用主路径分析的方法对大分子子机理进行简化得到一个65组分264步反应的简化机理,再采用ReaxRed程序包对简化机理中的小分子部分进行简化,最终得到一个43组分97步基元反应的简化机理,并验证了该简化机理的适用性。本文采用简化机理进行了 RP-3航空煤油在双燃烧室冲压发动机内燃烧过程的研究,通过对比采用总包反应时超燃燃烧室内燃烧流场的仿真结果,表明了采用简化机理时燃烧室内的燃料燃烧放热过程更加合理。在此基础上开展了亚燃燃烧室出口燃气参数对超燃燃烧室内燃烧流场的影响研究,结果表明亚燃燃烧室出口燃气温度增加时有利于超燃燃烧室内的燃烧释热,而亚燃燃烧室出口燃气马赫数增加时,超燃燃烧室内的燃烧效果变差。
[Abstract]:Because of its super dynamic characteristics, the military strategic position of scramjet is very high. Based on this, a large number of supersonic combustion related research work has been carried out in the world in recent years. But the supersonic combustion simulation is faced with the dual difficulties of turbulence and chemical reaction dynamics. Therefore, the study of chemical reaction mechanism of aviation kerosene is an important research direction of supersonic combustion. In this paper, through the study of domestic RP-3 aviation kerosene, it is clear that the alkane is the main component of aviation kerosene. The composition of aromatic hydrocarbon and naphthenic hydrocarbon was proved and analyzed. 12 alkanes were substituted for alkane component, p-xylene or ethylbenzene for aromatic hydrocarbon component, trimethylcyclohexane or propyl cyclohexane for naphthenic hydrocarbon component. Through arrangement and combination, four different combinations of RP-3 aviation kerosene alternative fuels are proposed. In this paper, the macromolecular mechanism and small molecular core mechanism were used to construct the chemical reaction mechanism. For the components of the existing complete chemical reaction mechanism: 12 alkane, p-xylene, ethyl benzene, trimethyl cyclohexane. Their macromolecular mechanism was extracted by correlation method, while propanyl cyclohexane was obtained by Gaussian calculation. The core mechanism of small molecule is USC- 鈪,

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