DSMC量子动理学化学反应模型的数值模拟

doi:10.7527/S1000-6893.2018.22176

流体力学与飞行力学

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DSMC量子动理学化学反应模型的数值模拟

李锦¹, 耿湘人¹, 陈坚强¹, 江定武¹, 李红喆²

1. 中国空气动力研究与发展中心计算空气动力研究所, 绵阳 621000;
2. 中国空气动力研究与发展中心设备设计及测试技术研究所, 绵阳 621000

收稿日期:2018-04-02 修回日期:2019-07-22 出版日期:2019-04-15 发布日期:2018-11-23
通讯作者: 李锦 E-mail:cardc.lijin@gmail.com

Numerical simulation on DSMC quantum kinetic chemical reaction model

LI Jin¹, GENG Xiangren¹, CHEN Jianqiang¹, JIANG Dingwu¹, LI Hongzhe²

1. Computational Aerodynamics Institute, China Aerodynamics Research and Development Center, Mianyang 621000, China;
2. Facility Design and Instrumentation Institute, China Aerodynamics Research and Development Center, Mianyang 621000, China

Received:2018-04-02 Revised:2019-07-22 Online:2019-04-15 Published:2018-11-23

摘要/Abstract

摘要： 为评估直接模拟蒙特卡罗（DSMC）方法中新近发展的一种量子动理学（QK）化学反应模型，在自研高超声速稀薄气体流动数值模拟软件RariHV中实现该模型，并进行了单个绝热单元内的热泳平衡/非平衡反应测试。结果表明，数值解与理论解吻合良好，QK模型具有很好的预测化学反应流动的能力。为进一步验证QK模型在真实流动中的表现，还计算了高超声速绕圆柱的化学反应流动，QK模型计算的驻点线上温度和组分分布都与总碰撞能（TCE）模型结果吻合良好。相较于TCE模型，QK模型的优势是不再依赖反应速率系数的实验数据，在深空探测等化学反应数据缺乏的领域具有一定的应用前景。

关键词: 直接模拟蒙特卡罗(DSMC)方法, 化学反应, 高超声速流动, 量子动理学(QK)模型, 圆柱绕流

Abstract: In order to evaluate a newly developed Quantum Kinetic (QK) chemical reaction model for the Direct Simulation Monte Carlo (DSMC) method, this paper implemented the model in our own DSMC software named RariHV that can numerically simulate hypersonic rarefied gas flows and performed equilibrium and non-equilibrium chemical reaction tests in a single adiabatic cell. The numerical results are in good agreement with the theory, indicating that the QK model can well predict chemically reactive flows. Furthermore, to assess the performance of the QK model in realistic flows, hypersonic chemical reaction flow passing a cylinder was computed. Computational results of temperature profile and number density profile along the stagnation line agree well with those of the Total Collision Energy (TCE)model. Compared with the common TCE model, the QK model no longer relies on the experimental reaction rate coefficients and has potential value of applications in areas with little chemical reaction data, such as deep space exploration.

Key words: Direct Simulation Monte Carlo (DSMC) method, chemical reaction, hypersonic flow, Quantum Kinetic (QK) model, cylinder flow

中图分类号:

V211.3

李锦, 耿湘人, 陈坚强, 江定武, 李红喆. DSMC量子动理学化学反应模型的数值模拟[J]. 航空学报, 2019, 40(4): 122176-122176.

LI Jin, GENG Xiangren, CHEN Jianqiang, JIANG Dingwu, LI Hongzhe. Numerical simulation on DSMC quantum kinetic chemical reaction model[J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2019, 40(4): 122176-122176.

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E-mail：hkxb@buaa.edu.cn

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DSMC量子动理学化学反应模型的数值模拟

Numerical simulation on DSMC quantum kinetic chemical reaction model

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