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Two-temperature thermochemical nonequilibrium model based on the coarse-grained treatment of molecular vibrational states

文献类型：期刊论文

作者Lv, Jiaqi1,2; Hong, Qizhen2; Wang, Xiaoyong2; Huang, Yifeng2; Sun, Quanhua1,2; Sun QH(孙泉华); Hong QZ(洪启臻)
刊名PHYSICAL REVIEW E
出版日期2024-09-30
卷号110期号:3页码:18
ISSN号2470-0045
DOI10.1103/PhysRevE.110.035107
通讯作者Hong, Qizhen(hongqizhen@imech.ac.cn)
英文摘要Although the high-fidelity state-to-state (StS) model accurately describes high-temperature thermochemical nonequilibrium flows, its practical application is hindered by the prohibitively high computational cost. In this paper, we develop a reduced-order model that leverages the widely used two-temperature (2T) framework and a coarse-grained treatment of molecular vibrational states to achieve accuracy comparable to the StS model while ensuring computational efficiency. We observe that the multigroup coarse-grained model (CGM), lumping vibrational energy levels into several groups, yields results close to the StS model for the high-temperature postshock oxygen flows, even using only two groups. However, the one-group CGM (CGM-1G), equivalent to the 2T model but using the StS kinetics, fails to approximate the StS results. Analysis of microscopic group properties reveals that the failure of the CGM-1G stems from the inability to capture the non-Boltzmann effects of mid-to-high vibrational levels, overestimating apparent dissociation rates and vibrational energy loss in the dissociation-dominated region. We then propose an analytical distribution function of vibrational groups by incorporating Treanor-like terms and an additional linear term (addressing the dissociation depletion of highlying levels). Building upon this algebraic group distribution function and reconstructing vibrational levels within each group using the vibrational temperature, we develop a new 2T model called CG2T, which demonstrates accuracy much closer (than the CGM-1G) to the StS results for the postshock oxygen flows with varying degrees of thermochemical nonequilibrium. Moreover, a fullyconnected neural network is pretrained to substitute the module for the mass and vibrational energy source terms to enhance computational efficiency, achieving about 30-fold speedup in the CG2T model without sacrificing accuracy.
WOS关键词DISSOCIATION RATES ; RELAXATION ; EXCITATION ; KINETICS ; HEAT
资助项目Strategic Priority Research Program of the Chinese Academy of Sciences[XDB0620201] ; China Postdoctoral Science Foundation[2022M723233] ; National Natural Science Foundation of China[12302391]
WOS研究方向Physics
语种英语
WOS记录号WOS:001329716100001
资助机构Strategic Priority Research Program of the Chinese Academy of Sciences ; China Postdoctoral Science Foundation ; National Natural Science Foundation of China
源URL[http://dspace.imech.ac.cn/handle/311007/96972]  
专题力学研究所_高温气体动力学国家重点实验室
通讯作者Hong, Qizhen
作者单位1.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China
2.Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China
推荐引用方式
GB/T 7714		 Lv, Jiaqi,Hong, Qizhen,Wang, Xiaoyong,et al. Two-temperature thermochemical nonequilibrium model based on the coarse-grained treatment of molecular vibrational states[J]. PHYSICAL REVIEW E,2024,110(3):18.
APA Lv, Jiaqi.,Hong, Qizhen.,Wang, Xiaoyong.,Huang, Yifeng.,Sun, Quanhua.,...&洪启臻.(2024).Two-temperature thermochemical nonequilibrium model based on the coarse-grained treatment of molecular vibrational states.PHYSICAL REVIEW E,110(3),18.
MLA Lv, Jiaqi,et al."Two-temperature thermochemical nonequilibrium model based on the coarse-grained treatment of molecular vibrational states".PHYSICAL REVIEW E 110.3(2024):18.

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来源：力学研究所

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