Open-Source Direct Simulation Monte Carlo Chemistry Modeling for Hypersonic Flows
Open-Source Direct Simulation Monte Carlo Chemistry Modeling for Hypersonic Flows
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DOI：
10.2514/1.j053370
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发表时间：
2015-04
期刊：
影响因子：
2.5
通讯作者：
T. Scanlon;C. White;M. Borg;R. Palharini;E. Farbar;I. Boyd;J. Reese;Richard Brown
中科院分区：
文献类型：
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作者：
T. Scanlon;C. White;M. Borg;R. Palharini;E. Farbar;I. Boyd;J. Reese;Richard Brown
本文介绍了一种用于直接模拟蒙特卡罗方法的化学建模的开源实现。根据Bird（BirdG.）最近的工作，一、“The Q-K Model for Gas Phase Chemical Reaction Rates”，Physics of Fluids，Vol.23，No.10，2011，Paper 106101），已经采用了一种称为量子动力学方法的方法，使用基于微观气体信息的直接模拟Monte Carlo程序来描述五种空气模型中的化学反应。量子动力学技术已经在dsmcFoam代码的框架内实现，dsmcFoam代码是开源计算流体动力学代码OpenFOAM的衍生物。振动弛豫，解离和交换反应速率的绝热浴的结果表明，成功的量子动力学模型实施dsmcFoam相比，分析解决方案的惰性和反应条件。比较了量子动力学方法和总碰撞能化学方法的优缺点。
An open-source implementation of chemistry modeling for the direct simulation Monte Carlo method is presented. Following the recent work of Bird (BirdG. A., “The Q-K Model for Gas Phase Chemical Reaction Rates,” Physics of Fluids, Vol. 23, No. 10, 2011, Paper 106101), an approach known as the quantum-kinetic method has been adopted to describe chemical reactions in a five-species air model using direct simulation Monte Carlo procedures based on microscopic gas information. The quantum-kinetic technique has been implemented within the framework of the dsmcFoam code, a derivative of the open-source computational-fluid-dynamics code OpenFOAM. Results for vibrational relaxation, dissociation, and exchange reaction rates for an adiabatic bath demonstrate the success of the quantum-kinetic model implementation in dsmcFoam when compared with analytical solutions for both inert and reacting conditions. A comparison is also made between the quantum-kinetic and total collision energy chemistry approaches for a hype...