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Journal of Environmental Accounting and Management
António Mendes Lopes (editor), Jiazhong Zhang(editor)
António Mendes Lopes (editor)

University of Porto, Portugal


Jiazhong Zhang (editor)

School of Energy and Power Engineering, Xi'an Jiaotong University, Xi'an, Shaanxi Province 710049, China

Fax: +86 29 82668723 Email:

Direct Simulation Monte Carlo Procedure for Molecular Collision Energy Transfer in Quantum Nature

Journal of Environmental Accounting and Management 11(3) (2023) 285--296 | DOI:10.5890/JEAM.2023.09.003

Jie Liang$^{1,2}$, Zhihui Li$^{3,4}$, Ming Fang$^{1,2}$, Xiaowei Tang$^{1,2}$

$^1$ Hypervelocity Aerodynamics Institute, CARDC, Mianyang, SiChuan, 621000, China

$^2$ Laboratory of Aerodynamics in Multiple Flow Regimes, CARDC, Mianyang, SiChuan, 621000, China

$^3$ National Lab. for Computational Fluid Dynamics, CARDC, Beijing 100191, China

$^4$ Beijing Aerohydrodynamic Research Center, Beijing 100011, China

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In order to precisely simulate the thermodynamic nonequilibrium feature in hypervelocity streaming and plume expansion flows, the discrete energy transfer procedure considering quantum effect in direct simulation Monte Carlo method is presented. The formulas of rotational energy for non-rigid rotator model and vibrational energy for anharmonic oscillator model on diatomic molecules are given. The calculation of quantum energy levels at equilibrium distribution is described. The energy transfer models of rotation-translation and vibration-translation as well as their implementation are derived. Two dimensional hypersonic flow around a cylinder of Nitrogen with different flight speeds is computed and analyzed. The comparison of the thermodynamic nonequilibrium process between continuous and discrete energy modes indicate the necessity of energy transfer model considering quantum effect for precise simulation of the thermodynamic nonequilibrium feature in high temperature flow field. The simulation of vacuum plume expansion also demonstrates the significant quantum effect of rotation mode.


This work is supported by the projects of the manned space engineering technology (ZS2020103001), the National key basic research project (2022-JCJQ-ZD-206-00), the National Basic Research Program of China (``973'' Program) (Grant No.2014CB744102), and~the National Science Foundation for Distinguished Young Scholars of~China under Grants No. (11325212, 91530319). The authors are particularly thankful to the reviewers and editor for their valuable comments and suggestions, which greatly improved the quality of the manuscript.


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