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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 阿伦尼乌斯速率表达式联合概率分布的快速不确定性量化方法和采样技术:应用于 H2/CO 动力机制的案例研究
IF 1.3 4区 工程技术 Q4 ENERGY & FUELS Pub Date : 2024-03-12 DOI: 10.1080/13647830.2024.2326413
Krunal Panchal, Vaisakh Vasudevan, Sivaram Ambikasaran, Krithika Narayanaswamy
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...
这项研究提出了一种快速、新颖、数学上稳健且优雅的无约束不确定性量化方法(MUQ),利用 Cholesky De...
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引用次数: 0
Evolutionary equations for the disturbed flame stabilised at the flat burner 稳定在平面燃烧器上的扰动火焰的演变方程
IF 1.3 4区 工程技术 Q4 ENERGY & FUELS Pub Date : 2024-02-02 DOI: 10.1080/13647830.2024.2310319
Sergey Minaev, Evgeniy Sereshchenko, Vladimir Gubernov
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...
在扩散-热模型框架内对燃烧器稳定火焰的动力学进行了理论研究。非线性方程组描述了弯曲火焰前沿的动力学和火焰前沿的...
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引用次数: 0
Exploring the chemical kinetic effects on the direct detonation initiation in H2-O2-Ar mixtures 探索 H2-O2-Ar 混合物中直接引爆的化学动力学效应
IF 1.3 4区 工程技术 Q4 ENERGY & FUELS Pub Date : 2024-01-31 DOI: 10.1080/13647830.2024.2310309
Yuen Liu, Yuxuan Chen, Qing Xie, Xingyu Su, Zhuyin Ren, Hao Zeng
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...
化学动力学在各种可燃混合物的直接起爆(DDI)中发挥着重要作用。然而,人们很少详细研究化学动力学对起爆动力学的影响。
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引用次数: 0
Large eddy simulations of a buoyant turbulent line flame using conditional source-term estimation (CSE) 利用条件源项估计(CSE)对浮力湍流线火焰进行大涡模拟
IF 1.3 4区 工程技术 Q4 ENERGY & FUELS Pub Date : 2023-12-13 DOI: 10.1080/13647830.2023.2292993
Ahmed M.K. Abdalhamid, Cecile Devaud
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 ...
本文旨在评估将条件源项估计(CSE)方法应用于实验室规模的无熄灭湍流浮力火焰的能力。CSE ...
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引用次数: 0
Stochastic characterisation of unstable lean hydrogen–air annular premixed flames 不稳定贫氢-空气环形预混火焰的随机特性
IF 1.3 4区 工程技术 Q4 ENERGY & FUELS Pub Date : 2023-11-29 DOI: 10.1080/13647830.2023.2284910
Luis Fernando Figueira da Silva
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...
本文研究了在环形燃烧器上稳定的稀薄预混氢-空气层流火焰的特性。所研究的火焰被选择在接近低可燃性极限的地方。
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引用次数: 0
Asymptotic analysis of detonation development at SI engine conditions using computational singular perturbation 用计算奇异摄动分析发动机条件下爆轰发展
IF 1.3 4区 工程技术 Q4 ENERGY & FUELS Pub Date : 2023-11-20 DOI: 10.1080/13647830.2023.2281379
Iliana D. Dimitrova, Minh-Bau Luong, Sangeeth Sanal, Efstathios-Al. Tingas, Hong G. Im
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...
研究了在火花点火(SI)发动机条件下爆震现象的发生和强度,目的是成功地预测超爆震,并阐明超爆震对发动机性能的影响。
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引用次数: 0
A combustion mechanism reduction method based on entropy production analysis in fuel auto-ignition and laminar flames 基于熵产分析的燃料自燃层流燃烧机理还原方法
4区 工程技术 Q4 ENERGY & FUELS Pub Date : 2023-11-02 DOI: 10.1080/13647830.2023.2276696
Yusen Liu, Jiabo Zhang, Dong Han
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].
摘要本文提出了一种基于熵产分析的自燃和层流火焰化学机理还原策略,提高了层流燃烧速度的预测精度。除化学反应外,改进的方法还考虑了其他引起熵产生的不可逆源,如质量扩散和热传导。具体来说,最初的骨架机制首先是基于在自燃过程中产生熵的重要反应产生的。然后构建机制补丁,包括重要的物质和反应,这些物质和反应分别有助于层流预混火焰的质量扩散和热传导产生超过预定义阈值的熵。最后,将初始骨架机制和机构补丁相结合,建立最终骨架机制。通过这种方法,从详细的POLIMI机制(451种,17848个反应)发展出了两个最终的骨架机制,分别包含162种,2276个反应和160种,1916个反应。两种最终骨架机制被证明可以准确地预测正十二烷火焰的层流燃烧速度和熵产生,与详细机制相比,模拟结果变化不大,而它们预测点火延迟时间的准确性依赖于初始骨架机制。具体而言,160种和1916种反应的简化机制在预测点火延迟方面的表现不如162种和2276种反应的简化机制令人满意,这表明通过均匀自燃过程的熵产分析生成初始骨架机制所需的阈值较低。此外,与其他机构缩减策略获得的相似尺寸的缩减机构相比,两种最终骨架机构准确地捕获了层流燃烧速度和点火延迟时间的特征,所需的计算时间相似。关键词:机制约简熵产分析均匀自燃层流火焰十二烷披露声明作者未报告潜在的利益冲突。基金资助:国家自然科学基金项目[批准号:520106261和52022058];中国博士后科研基金项目[批准号:2022M712042和2022T150403]。
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引用次数: 0
Different conditional source-term estimation formulations applied to turbulent nonpremixed jet flames with varying levels of extinction 不同条件源项估计公式应用于不同消光程度的湍流非预混射流火焰
4区 工程技术 Q4 ENERGY & FUELS Pub Date : 2023-10-20 DOI: 10.1080/13647830.2023.2271437
Amir H. Mahdipour, Cecile Devaud
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).
摘要本研究的目的是研究条件源项估计(CSE)模型的两种新公式,该模型使用适用于Sandia火焰D和f的Reynolds平均Navier Stokes (RANS)计算。第一种方法依赖于一阶Tikhonov正则化,第二种方法由CSEBP表示,包括Bernstein多项式来近似条件平均值。目前对温度、主要产品和次要物种的预测与以前发表的不同实施的CSE结果一致。然而,在先验信息较少的情况下,获得了更平滑的条件轮廓。两种公式对火焰D都有很好的预测,在入口附近和下游的一个位置有很小的差异,偶尔对CSEBP有小的优势。与以往的ranss - cse尝试相比,火焰F的稳定解与实验结果吻合得很好。考虑到RANS和捕捉瞬态效应的单一条件限制,两种公式都能很好地预测从火焰D到F的条件平均和Favre平均量的变化,除了在一个位置,预测的重燃发生得比实验中看到的要早。此外,通过使用哈希表存储化学表的插值结果并避免实时插值,CSE例程的计算成本从总计算成本的85%显著降低到第一次配方的10%和CSEBP的3%以下。关键词:CSEBernstein多项式湍流燃烧sandia火焰披露声明作者未报告潜在利益冲突。本研究得到了加拿大自然科学与工程研究委员会(NSERC)的支持。
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引用次数: 0
Prediction of lower explosion limit of liquid fuel aerosol 液体燃料气溶胶爆炸下限预测
4区 工程技术 Q4 ENERGY & FUELS Pub Date : 2023-10-20 DOI: 10.1080/13647830.2023.2270455
Yongsheng Jia, Yingkang Yao, Qi Zhang
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].
摘要与液体燃料蒸气的爆炸极限一样,气溶胶的爆炸极限也是气溶胶状态的函数。本研究通过理论分析,建立了液体燃料气溶胶爆炸下限(LEL)的预测模型,并利用典型的正庚烷和正己烷液体燃料在实验中观察了气溶胶状态和爆炸下限浓度,验证了所建立的模型预测气溶胶LEL的可靠性。两种正庚烷气溶胶(D32 = 12.16µm)和(D32 = 21.23µm)的预测水平分别是正庚烷蒸汽的3.59和3.62倍。与实验结果相比,预测结果的相对误差分别为5.4%和8.8%。正己烷气溶胶(D32 = 18.51µm)的LEL预测值是正己烷蒸气的3.5倍,与实验结果的相对误差为3.99%。关键词:液体燃料可燃气溶胶预测模型气溶胶状态感谢刘雪玲博士参与实验。披露声明作者未报告潜在的利益冲突。本研究由江汉大学精密爆破国家重点实验室和爆破工程湖北省重点实验室资助[批准号:PBSKL2022A02]。
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引用次数: 0
Grid resolution requirement of chemical explosive mode analysis for large eddy simulations of premixed turbulent combustion 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
4区 工程技术 Q4 ENERGY & FUELS Pub Date : 2023-10-17 DOI: 10.1080/13647830.2023.2270962
Haochen Liu, Chao Xu, Zifei Yin, Hong Liu
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.
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。
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Combustion Theory and Modelling
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