{"title":"Modification of the DSMC method for a macroscopic chemical reaction","authors":"R. Zakeri, R. Kamali-Moghadam, M. Mani","doi":"10.1134/S086986432402015X","DOIUrl":null,"url":null,"abstract":"<div><p>Considering some limitations of various macroscopic chemical reaction models including the total collision energy (TCE) and general collision energy (GCE) models, the new modification is implemented in the DSMC algorithm for numerical simulation of dissociation of the air along the stagnation line and around a typical hypersonic atmospheric blunt body, STS-2 in un-equilibrium conditions and modified model is compared with others conventional models. Since the TCE and GCE models are dependent on some experimental parameters <i>(A</i> and <i>B</i> in the Arrhenius equation for the reaction rate), also, due to the lack of accuracy of the QK model, modification version of chemical reaction models is presented as a hybrid of modified quantum kinetics (MQK) and modified collision energy (MCE) which this method is able to extract <i>A</i> and <i>B</i> parameters without need of experimental background. The accuracy of the current applied chemical model for the calculation of flow field characteristics is assessed by comparison of their results with other methods (analytical models and available experimental data). The results indicate that the modification of hybrid model with advantages of the independency of the empirical parameters gives more accurate results and provides more accurate solution compared to conventional methods without need of <i>A</i> and <i>B</i> constant experimental parameters.</p></div>","PeriodicalId":800,"journal":{"name":"Thermophysics and Aeromechanics","volume":null,"pages":null},"PeriodicalIF":0.5000,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Thermophysics and Aeromechanics","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1134/S086986432402015X","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"ENGINEERING, AEROSPACE","Score":null,"Total":0}
引用次数: 0
Abstract
Considering some limitations of various macroscopic chemical reaction models including the total collision energy (TCE) and general collision energy (GCE) models, the new modification is implemented in the DSMC algorithm for numerical simulation of dissociation of the air along the stagnation line and around a typical hypersonic atmospheric blunt body, STS-2 in un-equilibrium conditions and modified model is compared with others conventional models. Since the TCE and GCE models are dependent on some experimental parameters (A and B in the Arrhenius equation for the reaction rate), also, due to the lack of accuracy of the QK model, modification version of chemical reaction models is presented as a hybrid of modified quantum kinetics (MQK) and modified collision energy (MCE) which this method is able to extract A and B parameters without need of experimental background. The accuracy of the current applied chemical model for the calculation of flow field characteristics is assessed by comparison of their results with other methods (analytical models and available experimental data). The results indicate that the modification of hybrid model with advantages of the independency of the empirical parameters gives more accurate results and provides more accurate solution compared to conventional methods without need of A and B constant experimental parameters.
考虑到包括总碰撞能(TCE)和一般碰撞能(GCE)模型在内的各种宏观化学反应模型的一些局限性,在 DSMC 算法中实施了新的修改,用于在非平衡条件下对沿停滞线和围绕典型高超音速大气钝体 STS-2 的空气解离进行数值模拟,并将修改后的模型与其他传统模型进行了比较。由于 TCE 和 GCE 模型依赖于一些实验参数(反应速率阿伦尼乌斯方程中的 A 和 B),同时由于 QK 模型缺乏准确性,因此提出了化学反应模型的修正版本,即修正量子动力学(MQK)和修正碰撞能(MCE)的混合模型,该方法无需实验背景即可提取 A 和 B 参数。通过与其他方法(分析模型和现有实验数据)的结果比较,评估了当前用于计算流场特征的化学模型的准确性。结果表明,与不需要 A 和 B 恒定实验参数的传统方法相比,具有经验参数独立优势的混合模型的修改结果更准确,并提供了更精确的解决方案。
期刊介绍:
The journal Thermophysics and Aeromechanics publishes original reports, reviews, and discussions on the following topics: hydrogasdynamics, heat and mass transfer, turbulence, means and methods of aero- and thermophysical experiment, physics of low-temperature plasma, and physical and technical problems of energetics. These topics are the prior fields of investigation at the Institute of Thermophysics and the Institute of Theoretical and Applied Mechanics of the Siberian Branch of the Russian Academy of Sciences (SB RAS), which are the founders of the journal along with SB RAS. This publication promotes an exchange of information between the researchers of Russia and the international scientific community.