Grid resolution requirement of chemical explosive mode analysis for large eddy simulations of premixed turbulent combustion

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2023-10-17 DOI:10.1080/13647830.2023.2270962

Haochen Liu, Chao Xu, Zifei Yin, Hong Liu

{"title":"Grid resolution requirement of chemical explosive mode analysis for large eddy simulations of premixed turbulent combustion","authors":"Haochen Liu, Chao Xu, Zifei Yin, Hong Liu","doi":"10.1080/13647830.2023.2270962","DOIUrl":null,"url":null,"abstract":"AbstractThe grid resolution requirement for trustworthy Chemical Explosive Mode Analysis (CEMA) in Large Eddy Simulation (LES) of premixed turbulent combustion is proposed. Explicit filtering, to emulate the effect of the LES filter, is applied to one-dimensional laminar flame and three-dimensional planar turbulent flames across a wide range of Karlovitz numbers (5−239). The identification of the flame front by CEMA is found relatively insensitive to the cell size (Δ), while the combustion mode identification shows more significant sensitivity. Specifically, increasing Δ falsely enhances the auto-ignition and local extinction modes and suppresses the diffusion-assisted mode. Limited dependence of the CEMA performance on the turbulent combustion regime (Karlovitz number) is observed. A simple grid size criterion for reliable CEMA mode identification in LES is proposed as Δ≲δL/2; The criterion can be relaxed to Δ≲δL in the laminar flame limit. Furthermore, theoretical analysis is conducted on an idealised chemistry-diffusion system. The effects of the filtering process and turbulence on the local combustion mode are demonstrated, which is consistent with the numerical observations. By incorporating turbulent combustion models in CEMA, potential improvement in identifying local combustion modes can be expected.Keywords: chemical explosive mode analysis (CEMA)large eddy simulation (LES)premixed turbulent combustion AcknowledgmentsThe numerical computations were performed using π-2.0 at the Center for High-Performance Computing, Shanghai Jiao Tong University.Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThe authors gratefully acknowledge financial support from the National Natural Science Foundation of China (No. 91941301 and No. 12002210) and the Shanghai Municipal Natural Science Foundation (No. 21ZR1434000). Argonne National Laboratory's work was supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy under contract DE-AC02-06CH11357.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2023-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1080/13647830.2023.2270962","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

AbstractThe grid resolution requirement for trustworthy Chemical Explosive Mode Analysis (CEMA) in Large Eddy Simulation (LES) of premixed turbulent combustion is proposed. Explicit filtering, to emulate the effect of the LES filter, is applied to one-dimensional laminar flame and three-dimensional planar turbulent flames across a wide range of Karlovitz numbers (5−239). The identification of the flame front by CEMA is found relatively insensitive to the cell size (Δ), while the combustion mode identification shows more significant sensitivity. Specifically, increasing Δ falsely enhances the auto-ignition and local extinction modes and suppresses the diffusion-assisted mode. Limited dependence of the CEMA performance on the turbulent combustion regime (Karlovitz number) is observed. A simple grid size criterion for reliable CEMA mode identification in LES is proposed as Δ≲δL/2; The criterion can be relaxed to Δ≲δL in the laminar flame limit. Furthermore, theoretical analysis is conducted on an idealised chemistry-diffusion system. The effects of the filtering process and turbulence on the local combustion mode are demonstrated, which is consistent with the numerical observations. By incorporating turbulent combustion models in CEMA, potential improvement in identifying local combustion modes can be expected.Keywords: chemical explosive mode analysis (CEMA)large eddy simulation (LES)premixed turbulent combustion AcknowledgmentsThe numerical computations were performed using π-2.0 at the Center for High-Performance Computing, Shanghai Jiao Tong University.Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThe authors gratefully acknowledge financial support from the National Natural Science Foundation of China (No. 91941301 and No. 12002210) and the Shanghai Municipal Natural Science Foundation (No. 21ZR1434000). Argonne National Laboratory's work was supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy under contract DE-AC02-06CH11357.

查看原文本刊更多论文

预混合湍流燃烧大涡模拟化学爆炸模式分析的网格分辨率要求

摘要提出了大涡流模拟(LES)中可靠化学爆炸模式分析(CEMA)的网格分辨率要求。显式滤波，以模拟LES滤波器的效果，被应用于一维层流火焰和三维平面湍流火焰跨越Karlovitz数(5−239)的大范围。CEMA对火焰锋面的识别对电池的尺寸相对不敏感(Δ)，而对燃烧方式的识别则表现出更显著的敏感性。具体地说，增加Δ错误地增强了自燃和局部消光模式，抑制了扩散辅助模式。观察到CEMA性能对湍流燃烧状态(Karlovitz数)的有限依赖。提出了一种简便的网格尺寸准则:Δ > Δ l /2;该判据可放宽到层流火焰极限Δ > Δ l。在此基础上，对理想的化学扩散系统进行了理论分析。分析了过滤过程和湍流对局部燃烧模式的影响，结果与数值观测结果一致。通过在CEMA中加入湍流燃烧模型，可以预期在识别局部燃烧模式方面的潜在改进。关键词:化学爆炸模态分析(CEMA)大涡模拟(LES)预混湍流燃烧披露声明作者未报告潜在的利益冲突。作者感谢国家自然科学基金(No. 91941301和No. 12002210)和上海市自然科学基金(No. 21ZR1434000)的资助。阿贡国家实验室的工作得到了美国能源部能源效率和可再生能源办公室的支持，合同为DE-AC02-06CH11357。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

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.