{"title":"A fast uncertainty quantification methodology and sampling technique for joint probability distribution of the Arrhenius rate expression: a case study applied to H2/CO kinetic mechanism","authors":"Krunal Panchal, Vaisakh Vasudevan, Sivaram Ambikasaran, Krithika Narayanaswamy","doi":"10.1080/13647830.2024.2326413","DOIUrl":"https://doi.org/10.1080/13647830.2024.2326413","url":null,"abstract":"This work proposes a fast, novel, mathematically robust, and elegant unconstrained Method of Uncertainty Quantification (MUQ) for the temperature-dependent Arrhenius rate constant using Cholesky De...","PeriodicalId":50665,"journal":{"name":"Combustion Theory and Modelling","volume":"36 1","pages":""},"PeriodicalIF":1.3,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140114786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sergey Minaev, Evgeniy Sereshchenko, Vladimir Gubernov
{"title":"Evolutionary equations for the disturbed flame stabilised at the flat burner","authors":"Sergey Minaev, Evgeniy Sereshchenko, Vladimir Gubernov","doi":"10.1080/13647830.2024.2310319","DOIUrl":"https://doi.org/10.1080/13647830.2024.2310319","url":null,"abstract":"The dynamics of the burner-stabilised flame is investigated theoretically in the frame of diffusive-thermal model. The nonlinear system of equations describing dynamics of curved flame front and th...","PeriodicalId":50665,"journal":{"name":"Combustion Theory and Modelling","volume":"5 1","pages":""},"PeriodicalIF":1.3,"publicationDate":"2024-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139662039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Exploring the chemical kinetic effects on the direct detonation initiation in H2-O2-Ar mixtures","authors":"Yuen Liu, Yuxuan Chen, Qing Xie, Xingyu Su, Zhuyin Ren, Hao Zeng","doi":"10.1080/13647830.2024.2310309","DOIUrl":"https://doi.org/10.1080/13647830.2024.2310309","url":null,"abstract":"Chemical kinetics plays an important role in the direct detonation initiation (DDI) of various combustible mixtures. However, its impact on detonation dynamics has rarely been studied with detailed...","PeriodicalId":50665,"journal":{"name":"Combustion Theory and Modelling","volume":"295 1 1","pages":""},"PeriodicalIF":1.3,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139662301","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Large eddy simulations of a buoyant turbulent line flame using conditional source-term estimation (CSE)","authors":"Ahmed M.K. Abdalhamid, Cecile Devaud","doi":"10.1080/13647830.2023.2292993","DOIUrl":"https://doi.org/10.1080/13647830.2023.2292993","url":null,"abstract":"The objective of this paper is to assess the capabilities of the Conditional Source-term Estimation (CSE) approach applied to a laboratory scaled turbulent buoyant flame without extinction. CSE is ...","PeriodicalId":50665,"journal":{"name":"Combustion Theory and Modelling","volume":"3 1","pages":""},"PeriodicalIF":1.3,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138679840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Stochastic characterisation of unstable lean hydrogen–air annular premixed flames","authors":"Luis Fernando Figueira da Silva","doi":"10.1080/13647830.2023.2284910","DOIUrl":"https://doi.org/10.1080/13647830.2023.2284910","url":null,"abstract":"This study is devoted to the characterisation of lean premixed hydrogen–air laminar flames stabilised on an annular burner. The flames studied are chosen to lie close to the lean flammability limit...","PeriodicalId":50665,"journal":{"name":"Combustion Theory and Modelling","volume":"29 1","pages":""},"PeriodicalIF":1.3,"publicationDate":"2023-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138517845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Iliana D. Dimitrova, Minh-Bau Luong, Sangeeth Sanal, Efstathios-Al. Tingas, Hong G. Im
{"title":"Asymptotic analysis of detonation development at SI engine conditions using computational singular perturbation","authors":"Iliana D. Dimitrova, Minh-Bau Luong, Sangeeth Sanal, Efstathios-Al. Tingas, Hong G. Im","doi":"10.1080/13647830.2023.2281379","DOIUrl":"https://doi.org/10.1080/13647830.2023.2281379","url":null,"abstract":"The occurrence and intensity of the detonation phenomenon at spark-ignition (SI) engine conditions is investigated, with the objective to successfully predict super-knock and to elucidate the effec...","PeriodicalId":50665,"journal":{"name":"Combustion Theory and Modelling","volume":"24 1","pages":""},"PeriodicalIF":1.3,"publicationDate":"2023-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138542626","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A combustion mechanism reduction method based on entropy production analysis in fuel auto-ignition and laminar flames","authors":"Yusen Liu, Jiabo Zhang, Dong Han","doi":"10.1080/13647830.2023.2276696","DOIUrl":"https://doi.org/10.1080/13647830.2023.2276696","url":null,"abstract":"AbstractThis study provides a chemical mechanism reduction strategy based on entropy production analyses in both auto-ignition and laminar flames, which enhances the predictive accuracy for laminar burning velocities. In addition to chemical reactions, other irreversible sources causing entropy generation, such as mass diffusion and heat conduction, are considered in the modified approach. Specifically, initial skeletal mechanisms are first generated based on important reactions that contribute to entropy production in auto-ignition processes. Mechanism patches are then constructed to include important species and reactions, which contribute to entropy production from mass diffusion and heat conduction in laminar premixed flames beyond the pre-defined thresholds, respectively. Finally, the initial skeletal mechanisms and mechanism patches are combined to establish the final skeletal mechanisms. In this way, two final skeletal mechanisms for n-dodecane, consisting of 162 species and 2276 reactions, and 160 species and 1916 reactions, respectively, are developed from the detailed POLIMI mechanism with 451 species and 17,848 reactions. The two final skeletal mechanisms are proven to accurately predict laminar burning velocities and entropy production in n-dodecane flames with insignificant variations in the simulation results compared to the detailed mechanism, while their accuracy in predicting ignition delay times relies on the initial skeletal mechanisms. Specifically, the reduced mechanism with 160 species and 1916 reactions exhibits less satisfactory performance in predicting ignition delay compared to that with 162 species and 2276 reactions, indicating that a lower threshold is required to generate the initial skeletal mechanism through entropy production analysis of homogeneous auto-ignition processes. Additionally, compared with the reduced mechanisms with similar sizes obtained with other mechanism reduction strategies, the two final skeletal mechanisms accurately capture the characteristics of laminar burning velocities and ignition delay times, with similar calculation time required.Keywords: mechanism reductionentropy production analysishomogeneous auto-ignitionlaminar flamen-dodecane Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThis work is supported by the National Natural Science Foundation of China [grant numbers 52106261 and 52022058], the Postdoctoral Research Foundation of China [grant numbers 2022M712042 and 2022T150403].","PeriodicalId":50665,"journal":{"name":"Combustion Theory and Modelling","volume":"5 15","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135972978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Different conditional source-term estimation formulations applied to turbulent nonpremixed jet flames with varying levels of extinction","authors":"Amir H. Mahdipour, Cecile Devaud","doi":"10.1080/13647830.2023.2271437","DOIUrl":"https://doi.org/10.1080/13647830.2023.2271437","url":null,"abstract":"AbstractThe objective of the present study is to investigate two new formulations of the Conditional Source-term Estimation (CSE) model using Reynolds Averaged Navier Stokes (RANS) calculations applied to Sandia flames D and F. The first method relies on a first-order Tikhonov regularisation and the second approach denoted by CSEBP, includes Bernstein polynomials to approximate the conditional averages. Current predictions for temperature, main product and minor species are consistent with previously published CSE results with a different implementation. However, smoother conditional profiles are obtained with less a priori information. Both formulations have good predictions for flame D with minor discrepancies near the inlet and one position downstream, with occasional small advantages for CSEBP. In contrast to previous RANS-CSE attempts, stable solutions are obtained for flame F in good agreement with the experiments. Considering the RANS and single conditioning limitations to capture transient effects, both formulations predict the changes of conditional averages and Favre averaged quantities from flame D to F well, except at one location where the predicted re-ignition occurs earlier than what is seen in the experiments. Additionally, the computational cost of the CSE routine is decreased significantly from 85% of the total computational cost to only 10% for the first formulation and under 3% for CSEBP by means of using hash tables for storing the results of interpolations from the chemistry tables and avoiding on-the-fly interpolations.Keywords: CSEBernstein polynomialsturbulencecombustionSandia flames Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThis work has been supported by Natural Sciences and Engineering Research Council of Canada (NSERC).","PeriodicalId":50665,"journal":{"name":"Combustion Theory and Modelling","volume":"28 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135567521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Prediction of lower explosion limit of liquid fuel aerosol","authors":"Yongsheng Jia, Yingkang Yao, Qi Zhang","doi":"10.1080/13647830.2023.2270455","DOIUrl":"https://doi.org/10.1080/13647830.2023.2270455","url":null,"abstract":"AbstractUnlike the explosion limit of liquid fuel vapour, the explosion limit of aerosol is a function of the aerosol state. In this study, a prediction model of the lower explosion limit (LEL) of liquid fuel aerosol was established through theoretical analysis, and typical liquid fuels of n-heptane and n-hexane were used to observe the aerosol state and the lower explosion concentration limits in the experiments to verify the reliability of the established model for predicting the LEL of aerosol. The predicted LELs of the two n-heptane aerosols (D32 = 12.16 µm) and (D32 = 21.23 µm) are 3.59 and 3.62 times of that of n-heptane vapour, respectively. The relative errors for the predictive results are 5.4% and 8.8%, respectively, compared with the experimental results. The predicted LEL of n-hexane aerosol (D32 = 18.51 µm) is 3.5 times that of n-hexane vapour, and the relative error is 3.99% compared with the experimental results.Keywords: Liquid fuelcombustible aerosolLELpredictive modelaerosol state AcknowledgementsThanks to Dr. Xueling Liu for participating in the experiments.Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThe research presented in this paper was supported by State Key Laboratory of Precision Blasting and Hubei Key Laboratory of Blasting Engineering, Jianghan University [grant number PBSKL2022A02].","PeriodicalId":50665,"journal":{"name":"Combustion Theory and Modelling","volume":"36 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135567911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"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":"https://doi.org/10.1080/13647830.2023.2270962","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":50665,"journal":{"name":"Combustion Theory and Modelling","volume":"26 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135994646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}