DSMC量子动理学化学反应模型的数值模拟

doi:10.7527/S1000-6893.2018.22176

Abstract

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

CLC Number:

V211.3

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.

References

[1] SCANLON T J, WHITE C, BORG M K, et al. Open-source direct simulation Monte Carlo chemistry modeling for hypersonic flows[J]. AIAA Journal, 2015, 53(6):1670-1680.
[2] HAAS B L. Fundamentals of chemistry modeling applicable to a vectorized particle simulation:AIAA-1990-1749[R]. Reston, VA:AIAA, 1990.
[3] BIRD G A. Molecular gas dynamics and the direct simulation of gas flows[M]. Oxford:Clarendon Press, 1994.
[4] GALLIS M A, BOND R B, TORCZYNSKI J R. A kinetic-theory approach for computing chemical-reaction rates in upper-atmosphere hypersonic flows[J]. Journalof Chemical Physics, 2009, 131(12):124311.
[5] BIRD G A. The Q-K model for gas phase chemical reaction rates[J]. Physics of Fluids, 2011, 23(10):102101.
[6] WAGNILD R, GALLIS M. Continuum simulation of hypersonic flows using the quantum-kinetic chemical reaction model:AIAA-2013-3144[R]. Reston, VA:AIAA, 2013.
[7] GALLISM A, BOND R B, TORCZYNSKI J R. Assessment of collisional-energy-based models for atmospheric species reactions in hypersonic flows[J]. Journal of Thermophysics and Heat Transfer, 2010, 24(2):241-253.
[8] RAMIN Z, RAMIN K M, MAHMOUD M. A new approach for chemical reaction simulation of rarefied gas flow by DSMC method[J]. Computers and Fluids, 2016, 140:111-121.
[9] RAMIN Z, RAMIN K M, MAHMOUD M. New chemical-DSMC method in numerical simulation of axisymmetric rarefied reactive flow[J]. Physics of Fluids, 2017, 29(4):047105.
[10] 陈浩, 李林颖, 张斌, 等. Q-K模型在氮氧离解复合反应中的评估[J]. 空气动力学学报, 2018, 36(1):17-21. CHEN H, LI L Y, ZHANG B, et al. Assessment of Q-K model for nitrogen and oxygen dissociation-recombination[J]. Acta Aerodnamica Sinica, 2018, 36(1):17-21(in Chinese).
[11] 王学德, 伍贻兆, 夏健, 等. 三维非结构网格DSMC并行算法及应用研究[J]. 宇航学报, 2007, 28(6):1500-1505. WANG X D, WU Y Z, XIA J, et al. A parallel algorithm of 3D unstructured DSMC method and its application[J]. Journal of Astronautics, 2007, 28(6):1500-1505(in Chinese).
[12] 梁杰, 阎超, 杨彦广, 等. 过渡区侧向喷流干扰的并行DSMC数值模拟研究[J]. 宇航学报, 2011, 32(5):1012-1018. LIANG J, YAN C, YANG Y G, et al. Parallel DSMC simulation of lateral jet interaction in rarefied transitional region[J]. Journal of Astronautics, 2011, 32(5):1012-1018(in Chinese).
[13] 黄飞, 苗文博, 程晓丽, 等. 一种DSMC方法的并行策略[J]. 航空学报, 2014, 35(4):968-974. HUANG F, MIAO W B, CHENG X L, et al. A parallel algorithm of DSMC method[J]. Acta Aeronautica et Astronautica Sinica, 2014, 35(4):968-974(in Chinese).
[14] LI J, GENG X R, CHEN J Q, et al. Novel hybrid hard sphere model for direct simulation Monte Carlo computations[J]. Journal of Thermophysics and Heat Transfer, 2018, 32(1):156-160.
[15] LI J, GENG X R, CHEN J Q, et al. Statistical error analysis of the DSMC method taking into account the time correlation between samples[J]. Applied Mathematics and Mechanics, 2016, 37(12):1403-1409.
[16] 梁杰, 李志辉, 杜波强, 等. 大型航天器再入陨落时太阳翼气动力/热模拟分析[J]. 宇航学报, 2015, 36(12):1348-1355. LIANG J, LI Z H, DU B Q, et al. Modeling and analysis of solar array aerothermodynamics during large-scale spacecraft reentry[J]. Journal of Astronautics, 2015, 36(12):1348-1355(in Chinese).
[17] 黄飞, 苗文博, 程晓丽, 等. 一种DSMC分子仿真下的权因子预定义方法[J]. 航空学报, 2014, 35(8):2174-2181. HUANG F, MIAO W B, CHENG X L, et al. A new predefined method of particle weight in DSMC molecular simulation[J]. Acta Aeronautica et Astronautica Sinica, 2014, 35(8):2174-2181(in Chinese).
[18] 李中华, 党雷宁, 李志辉. 高超声速化学非平衡流动Navier-Stokes/DSMC耦合算法[J]. 航空学报, 2018, 39(10):122229. LI Z H, DANG L N, LI Z H. Navier-Stokes/DSMC hybrid algorithm for hypersonic flows with chemical non-equilibrium[J]. Acta Aeronautica et Astronautica Sinica, 2018, 39(10):122229(in Chinese).
[19] 靳旭红, 黄飞, 程晓丽, 等. 超低轨航天器气动特性快速预测的试验粒子Monte Carlo方法[J]. 航空学报, 2017, 38(5):120625. JIN X H, HUANG F, CHENG X L, et al. Test particle Monte Carlo method for rapid prediction of aerodynamic properties of spacecraft in lower LEO[J]. Acta Aeronautica et Astronautica Sinica, 2017, 38(5):120625(in Chinese).
[20] VINCENTI W G, KRUGER C H. Introduction tophysical gas dynamics[M]. New York:Wiley, 1965.
[21] HAAS B L, MCDONALD J D. Validation of chemistry models employed in a particle simulation method[J]. Journal of Thermophysics and Heat Transfer, 1993, 7(1):42-48.

Numerical simulation on DSMC quantum kinetic chemical reaction model

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments

[1]	Yifeng HUANG, Shuhua ZENG, Zhongzheng JIANG, Weifang CHEN. Numerical study on high-altitude lateral jet based on nonlinear coupled constitutive relation [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2022, 43(S2): 8-22.
[2]	Deyang TIAN, Yi PING, Yesi CHEN, Weifang CHEN. Influence of physical and chemical models on electromagnetic wave propagation characteristics of flow field [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2022, 43(S2): 214-224.
[3]	LIU Pengxin, YUAN Xianxu, SUN Dong, FU Yalu, LI Chen. Direct numerical simulation of high-temperature turbulent boundary layer with chemical nonequilibrium [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2022, 43(1): 124877-124877.
[4]	REN Weijie, XIE Wenjia, TIAN Zhengyu, ZHANG Ye, YU Hang. Grid dependence of hypersonic numerical shock instability [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2021, 42(S1): 726376-726376.
[5]	XIANG Xinghao, ZHANG Yifeng, YUAN Xianxu, TU Guohua, WAN Bingbing, CHEN Jianqiang. C-γ-Re_θ model for hypersonic three-dimensional boundary layer transition prediction [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2021, 42(9): 625711-625711.
[6]	WU Han, WANG Jianhong, HUANG Wei, DU Zhaobo, YAN Li. Research progress on shock wave/boundary layer interactions and flow controls induced by micro vortex generators [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2021, 42(6): 25371-025371.
[7]	LI Jin, GENG Xiangren, CHEN Jianqiang, JIANG Dingwu, LI Hongzhe. Application of DSMC quantum kinetic model in re-entry flow of Mars [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2020, 41(7): 123240-123240.
[8]	YANG Guangfeng, LU Mengke, XUE Anyuan, LI Hulin, CUI Jing. Dynamic numerical simulation of aluminum pitting based on 3D-lattice Boltzmann method [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2020, 41(10): 423582-423582.
[9]	PENG Jun, ZHANG Zijian, ZHOU Kai, HU Zongmin, JIANG Zonglin. Effects of vibration excitation on shock reflections [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2017, 38(8): 121055-121055.
[10]	DONG Xiangrui, CHEN Yaohui, DONG Gang, LIU Yixin. DES numerical study of shock wave/boundary layer interactions in hypersonic flows controlled by double micro-ramps [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2016, 37(6): 1771-1780.
[11]	HAO Jiaao, WANG Jingying, GAO Zhenxun, JIANG Chongwen, LEE Chunhian. Numerical simulation of electronic-electron energy nonequilibrium in high speed and high temperature flowfields [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2016, 37(11): 3340-3350.
[12]	YAN Zhenguo, LIU Huayong, MAO Meiliang, MA Yankai, ZHU Huajun. Development of 3rd-order HWCNS and its application in hypersonic flow [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2015, 36(5): 1460-1470.
[13]	LI Haiyan, TANG Zhigong, YANG Yanguang, SHI Anhua, LUO Wanqing. Problems of numerical simulation of high-temperature gas flow fields for hypersonic vehicles [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2015, 36(1): 176-191.
[14]	WU Ziniu, BAI Chenyuan, LI Juan, CHEN Zijun, JI Shixiang, WANG Dan, WANG Wenbin, XU Yizhe, YAO Yao. Analysis of flow characteristics for hypersonic vehicle [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2015, 36(1): 58-85.
[15]	TANG Zhigong, ZHANG Yirong, CHEN Jianqiang, MAO Meiliang, ZHANG Yifeng, LIU Huayong. More fidelity, more accurate, more efficient—progress on numerical simulations for hypersonic flow [J]. ACTA AERONAUTICAET ASTRONAUTICA SINICA, 2015, 36(1): 120-134.