{"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.
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.