An iterative methodology for REDIM reduced chemistry generation and its validation for partially-premixed combustion

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2023-09-27 DOI:10.1080/13647830.2023.2260350
Prashant Shrotriya, Robert Schießl, Chunkan Yu, Viatcheslav Bykov, Thorsten Zirwes, Ulrich Maas
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Abstract

AbstractPartially-premixed flames (PPFs) incorporate effects of both premixed and non-premixed types of reaction zones. The modelling of PPFs using manifold-based model reduction methods faces some inherent difficulties due to the underlying assumptions of a-priori identification of the type of combustion system. In this work, the reaction–diffusion manifold (REDIM) model reduction method is applied to study PPFs. The REDIM method requires minimal prior knowledge about the type of combustion system, which makes it a suitable method for studying PPFs. It allows incorporating system-specific diffusion (gradients) terms in a generic way so that the manifold can evolve according to the diffusion related information provided by the combustion system. In this way, a prior identification of the type of combustion system is no longer needed.This work utilises an iterative methodology to generate REDIM chemistry tables so that the reduced manifold can be iteratively converged very close to the detailed manifold according to the gradients of the reduced coordinates provided by the physical combustion system in each iteration step. In addition, a new method is proposed to provide the gradient estimates of the reduced coordinates during the generation of REDIM from the scattered gradient data in REDIM reduced CFD calculations. Laminar triple flames, a special case of PPFs, with two types of mixture fraction gradients are selected as the target cases to assess the presented iterative methodology. REDIM reduced calculations are compared with simulations based on detailed finite-rate kinetics. It is found that in the final iteration steps, temperature and all considered major and minor species mass fraction profiles are very well predicted by the REDIM reduced calculations.Keywords: Reaction–diffusion manifold (REDIM)model reductionpartially-premixed flametriple flamelaminar flame Disclosure statementNo potential conflict of interest was reported by the author(s).Supplemental dataSupplemental data for this article can be accessed online at http://dx.doi.org/10.1080/13647830.2023.2260350.Additional informationFundingFinancial support by the German Research Foundation (DFG) within the projects SFB/TRR 150 (project number 237267381) within sub-projects B06 and B07 is gratefully acknowledged.
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部分预混燃烧中REDIM减少化学生成的迭代方法及其验证
部分预混火焰(PPFs)结合了预混反应区和非预混反应区的影响。由于燃烧系统类型的先验识别的基本假设,使用基于流管的模型简化方法对ppf进行建模面临一些固有的困难。本文采用反应-扩散流形(REDIM)模型简化方法研究ppf。REDIM方法对燃烧系统类型的先验知识要求最低,是一种适合研究ppf的方法。它允许以通用的方式合并系统特定的扩散(梯度)术语,以便歧管可以根据燃烧系统提供的扩散相关信息进行演化。这样,就不再需要事先确定燃烧系统的类型。这项工作利用迭代方法生成REDIM化学表,以便根据物理燃烧系统在每个迭代步骤中提供的简化坐标的梯度,将简化流形迭代地收敛到非常接近详细流形的位置。此外,提出了一种利用REDIM约化CFD计算中分散的梯度数据对REDIM生成过程中的约化坐标进行梯度估计的新方法。层流三重火焰是一种特殊的PPFs,具有两种混合分数梯度,作为目标案例来评估所提出的迭代方法。将REDIM简化计算与基于详细有限速率动力学的模拟进行了比较。在最后的迭代步骤中,通过REDIM简化计算可以很好地预测温度和所有考虑的主要和次要物种的质量分数分布。关键词:反应扩散流形(REDIM)模型还原部分预混火焰三重火焰层叠火焰披露声明作者未报告潜在的利益冲突。补充数据本文的补充数据可在线访问http://dx.doi.org/10.1080/13647830.2023.2260350.Additional informationfunding感谢德国研究基金会(DFG)在子项目B06和B07中为SFB/TRR 150项目(项目编号237267381)提供的财政支持。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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