Pub Date : 2024-01-01DOI: 10.1016/j.proci.2024.105261
Muhammed Abdallah, Y. Shoshin, G. Finotello, L.P.H. de Goey
Understanding the ignition of iron particle combustion in hot environments is critical for harnessing the use of metal fuels in clean energy production. In this research work, a new single particle burner is implemented to disperse and burn iron particles using hot air coflow. The burner disperses iron particles through Coulomb forces between two air-spaced capacitor electrodes. The oxidizer coflow is heated up as it passes through a newly designed induction gas heater. Electromagnetic induction is used to heat up multiple metallic and porous heat discs by Joule heating. When the coflow gas passes through the pores of the discs, it carries the heat generated within the porous discs and delivers it to the travelling iron particles which provides ultimate heat transfer effectiveness. Coflow temperature homogeneity is examined using Schlieren imaging and confirmed by thermocouple measurements at the outlet of the coflow tube. Particle ignition and combustion occur in open space, providing excellent conditions for optical diagnostics. Two synchronized high-speed cameras were used to simultaneously determine the particle size using green laser shadowgraphy and detect iron particles ignition. Iron particles ignition experiments were conducted for a sieved patch (45–53 μm) at different hot coflow temperatures starting at 700℃ up to 900℃. The burner showed extensive capabilities to maintains a stable and homogeneous hot coflow for a wide range of temperatures up to 900℃. Ignition experiments showed 5.67 % of ejected particles are burnt at 700 ℃, while full ignition (99.33 %) can be achieved at 900 ℃.
{"title":"Iron particles ignition in different hot coflow temperatures","authors":"Muhammed Abdallah, Y. Shoshin, G. Finotello, L.P.H. de Goey","doi":"10.1016/j.proci.2024.105261","DOIUrl":"https://doi.org/10.1016/j.proci.2024.105261","url":null,"abstract":"<div><p>Understanding the ignition of iron particle combustion in hot environments is critical for harnessing the use of metal fuels in clean energy production. In this research work, a new single particle burner is implemented to disperse and burn iron particles using hot air coflow. The burner disperses iron particles through Coulomb forces between two air-spaced capacitor electrodes. The oxidizer coflow is heated up as it passes through a newly designed induction gas heater. Electromagnetic induction is used to heat up multiple metallic and porous heat discs by Joule heating. When the coflow gas passes through the pores of the discs, it carries the heat generated within the porous discs and delivers it to the travelling iron particles which provides ultimate heat transfer effectiveness. Coflow temperature homogeneity is examined using Schlieren imaging and confirmed by thermocouple measurements at the outlet of the coflow tube. Particle ignition and combustion occur in open space, providing excellent conditions for optical diagnostics. Two synchronized high-speed cameras were used to simultaneously determine the particle size using green laser shadowgraphy and detect iron particles ignition. Iron particles ignition experiments were conducted for a sieved patch (45–53 μm) at different hot coflow temperatures starting at 700℃ up to 900℃. The burner showed extensive capabilities to maintains a stable and homogeneous hot coflow for a wide range of temperatures up to 900℃. Ignition experiments showed 5.67 % of ejected particles are burnt at 700 ℃, while full ignition (99.33 %) can be achieved at 900 ℃.</p></div>","PeriodicalId":408,"journal":{"name":"Proceedings of the Combustion Institute","volume":"40 1","pages":"Article 105261"},"PeriodicalIF":3.4,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141322813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1016/j.proci.2024.105210
Dong Jun Kim , Se Young Oh , Chun Sang Yoo , Jeong Park , Suk Ho Chung
Liftoff height behaviors are experimentally investigated in nonpremixed coflow jets of dimethyl ether (DME) diluted with nitrogen, by varying initial fuel mole fraction (XF,0), jet velocity (U0 ≤ 1.0 m/s), and initial temperature (up to T0 = 500 K). As jet velocity increases, three distinct liftoff height (HL) behaviors are observed depending on XF,0; monotonically-increasing HL for small XF,0, monotonically-decreasing HL for large XF,0, and decreasing and then increasing HL (U-shaped behavior) for intermediate XF,0. Such characteristics of exhibiting all three types of behaviors for a specified fuel and monotonically decreasing behavior have not been previously observed. For relatively-large jet velocities at small XF,0, where the jet momentum is sufficiently larger than buoyancy, the liftoff height increases with jet velocity. The monotonically-decreasing HL behavior for large XF,0 is attributed to strong buoyancy. As the jet velocity decreases, a blowout occurs for all XF,0 tested. In the increasing liftoff height regime with jet velocity, the normalized liftoff height is characterized in terms of U0 scaled by laminar burning velocity (SL0), while in the decreasing regime, in terms of the Richardson number. The blowout velocities are characterized in terms of the density difference between the fuel and burnt gas, which have distinct ranges among the regimes, emphasizing the role of the density difference on the three liftoff height behaviors.
{"title":"Non-monotonic liftoff height behaviors in laminar nonpremixed coflow jet flames of DME with ambient temperature variation","authors":"Dong Jun Kim , Se Young Oh , Chun Sang Yoo , Jeong Park , Suk Ho Chung","doi":"10.1016/j.proci.2024.105210","DOIUrl":"10.1016/j.proci.2024.105210","url":null,"abstract":"<div><p>Liftoff height behaviors are experimentally investigated in nonpremixed coflow jets of dimethyl ether (DME) diluted with nitrogen, by varying initial fuel mole fraction (<em>X</em><sub>F,0</sub>), jet velocity (<em>U</em><sub>0</sub> ≤ 1.0 m/s), and initial temperature (up to <em>T</em><sub>0</sub> = 500 K). As jet velocity increases, three distinct liftoff height (<em>H</em><sub>L</sub>) behaviors are observed depending on <em>X</em><sub>F,0</sub>; monotonically-increasing <em>H</em><sub>L</sub> for small <em>X</em><sub>F,0</sub>, monotonically-decreasing <em>H</em><sub>L</sub> for large <em>X</em><sub>F,0</sub>, and decreasing and then increasing <em>H</em><sub>L</sub> (U-shaped behavior) for intermediate <em>X</em><sub>F,0</sub>. Such characteristics of exhibiting all three types of behaviors for a specified fuel and monotonically decreasing behavior have not been previously observed. For relatively-large jet velocities at small <em>X</em><sub>F,0</sub>, where the jet momentum is sufficiently larger than buoyancy, the liftoff height increases with jet velocity. The monotonically-decreasing <em>H</em><sub>L</sub> behavior for large <em>X</em><sub>F,0</sub> is attributed to strong buoyancy. As the jet velocity decreases, a blowout occurs for all <em>X</em><sub>F,0</sub> tested. In the increasing liftoff height regime with jet velocity, the normalized liftoff height is characterized in terms of <em>U</em><sub>0</sub> scaled by laminar burning velocity (<em>S</em><sub>L</sub><sup>0</sup>), while in the decreasing regime, in terms of the Richardson number. The blowout velocities are characterized in terms of the density difference between the fuel and burnt gas, which have distinct ranges among the regimes, emphasizing the role of the density difference on the three liftoff height behaviors.</p></div>","PeriodicalId":408,"journal":{"name":"Proceedings of the Combustion Institute","volume":"40 1","pages":"Article 105210"},"PeriodicalIF":5.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141637021","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Recent experiments in a micro flow reactor with a controlled temperature profile (MFR) have realized the simultaneous observations of cool flames and flames with repetitive extinction and ignition (FREI) for an n-heptane/air mixture under atmospheric pressure. The primary objective of this study is to numerically reproduce the experimental observations and to investigate the effects of the cool flame on the FREI dynamics through one-dimensional transient reactive flow simulations with various reactor diameters and inlet velocities. The simulation results show that the reaction front speed of FREI decreases monotonically in the case of non-interaction with the cool flame at an inner diameter of 1 mm. Conversely, the reaction front speed temporarily increases due to thermal–chemical effects from stabilized cool flame for 2 mm diameter. Previous experimental and numerical studies in MFR have revealed strong pressure dependence of the three-stage oxidation reactions, comprising cool flame (CF), blue flame (BF) and hot flame (HF) in steady weak flame regime at low inflow velocity conditions. The second objective is to extend pressure-dependent flame response diagram up to FREI regime observed at higher inflow velocity conditions. Simulations demonstrate that there are pressure-dependent four distinct flame regimes: HF-dominant weak flame, HF-driven FREI, BF-dominant weak flame, and BF-driven FREI emerge with increasing pressure. In addition, a notable difference in ignition modes between HF-driven and BF-driven FREIs is observed. The HF-driven FREI exhibits a single reaction front propagating upstream, whereas the BF-driven FREI exhibits bifurcation in ignition, leading to the reaction fronts that propagate both upstream and downstream. Overall, the findings in this study provide a comprehensive understanding of the interactions between flame dynamics and low to intermediate temperature ignition chemistry in the thermally stratified flow fields.
{"title":"Numerical study on flames with repetitive extinction and ignition interacting with cool and blue (warm) flames","authors":"Keisuke Akita , Youhi Morii , Hisashi Nakamura , Kaoru Maruta","doi":"10.1016/j.proci.2024.105425","DOIUrl":"10.1016/j.proci.2024.105425","url":null,"abstract":"<div><p>Recent experiments in a micro flow reactor with a controlled temperature profile (MFR) have realized the simultaneous observations of cool flames and flames with repetitive extinction and ignition (FREI) for an <em>n</em>-heptane/air mixture under atmospheric pressure. The primary objective of this study is to numerically reproduce the experimental observations and to investigate the effects of the cool flame on the FREI dynamics through one-dimensional transient reactive flow simulations with various reactor diameters and inlet velocities. The simulation results show that the reaction front speed of FREI decreases monotonically in the case of non-interaction with the cool flame at an inner diameter of 1 mm. Conversely, the reaction front speed temporarily increases due to thermal–chemical effects from stabilized cool flame for 2 mm diameter. Previous experimental and numerical studies in MFR have revealed strong pressure dependence of the three-stage oxidation reactions, comprising cool flame (CF), blue flame (BF) and hot flame (HF) in steady weak flame regime at low inflow velocity conditions. The second objective is to extend pressure-dependent flame response diagram up to FREI regime observed at higher inflow velocity conditions. Simulations demonstrate that there are pressure-dependent four distinct flame regimes: HF-dominant weak flame, HF-driven FREI, BF-dominant weak flame, and BF-driven FREI emerge with increasing pressure. In addition, a notable difference in ignition modes between HF-driven and BF-driven FREIs is observed. The HF-driven FREI exhibits a single reaction front propagating upstream, whereas the BF-driven FREI exhibits bifurcation in ignition, leading to the reaction fronts that propagate both upstream and downstream. Overall, the findings in this study provide a comprehensive understanding of the interactions between flame dynamics and low to intermediate temperature ignition chemistry in the thermally stratified flow fields.</p></div>","PeriodicalId":408,"journal":{"name":"Proceedings of the Combustion Institute","volume":"40 1","pages":"Article 105425"},"PeriodicalIF":5.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1540748924002335/pdfft?md5=069b1284d487093a1852d87db56bc86d&pid=1-s2.0-S1540748924002335-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141637022","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1016/j.proci.2024.105289
Kanika Sood , Sylvie Gosselin , Abderrahman El Bakali , Alessandro Faccinetto , Pascale Desgroux , Kevin M. Van Geem , Laurent Gasnot , Luc-Sy Tran
Recent studies have demonstrated that several oxygenated aromatics, including oxygenated polycyclic aromatic hydrocarbons (OPAHs) possessing different functional groups, are formed during anisole combustion. However, a quantitative analysis for these species is still very limited. This limitation inhibits the development and validation of formation kinetic mechanisms for these toxic air pollutants. This study addresses this gap by investigating quantitatively, a fuel-rich anisole-doped laminar premixed flame stabilized on a Holthuis burner at atmospheric pressure with an equivalence ratio of 1.90. Gas samples were extracted from the flame using a quartz nozzle and analyzed by gas chromatography (GC) preceded by a special online pre-concentration trap system, which decreases the detection limit by a factor of over 1000 compared to a conventional GC. Major species (reactants, CO, etc.), 32 small intermediates (C1-C5 like formaldehyde, acetaldehyde, acetylene, cyclopentadiene, etc.), 12 non-oxygenated aromatics (benzene, naphthalene, phenanthrene, etc.), and especially 24 oxygenated aromatics (phenol, 2,2-biphenol, dibenzofuran, 9H-xanthene…) including several OPAHs at ppb concentration levels were quantified. Interestingly, flame structure analysis shows that oxygenated aromatics peak closer to the burner surface as compared to non-oxygenated aromatics. The number of rings for non-oxygenated aromatics was observed to increase with the height above the burner, indicating that one-ring aromatics form before two- or three-ring aromatics. However, this is not always the case for oxygenated aromatics. Three-ring OPAHs are almost as abundant as the three-ring PAHs in terms of quantity, some three-ring OPAHs are even twice as abundant as their analogous PAHs (e.g., benzofuran vs fluorene, 9H-xanthene vs anthracene, etc.), which emphasizes their importance and certainly implies that these species need to be considered in kinetic studies. However, unlike PAHs, only less than half of the quantified OPAHs are currently present in literature models for anisole combustion.
{"title":"Quantitative investigation of the formation of oxygenated aromatics in an anisole-doped flame","authors":"Kanika Sood , Sylvie Gosselin , Abderrahman El Bakali , Alessandro Faccinetto , Pascale Desgroux , Kevin M. Van Geem , Laurent Gasnot , Luc-Sy Tran","doi":"10.1016/j.proci.2024.105289","DOIUrl":"https://doi.org/10.1016/j.proci.2024.105289","url":null,"abstract":"<div><p>Recent studies have demonstrated that several oxygenated aromatics, including oxygenated polycyclic aromatic hydrocarbons (OPAHs) possessing different functional groups, are formed during anisole combustion. However, a quantitative analysis for these species is still very limited. This limitation inhibits the development and validation of formation kinetic mechanisms for these toxic air pollutants. This study addresses this gap by investigating quantitatively, a fuel-rich anisole-doped laminar premixed flame stabilized on a Holthuis burner at atmospheric pressure with an equivalence ratio of 1.90. Gas samples were extracted from the flame using a quartz nozzle and analyzed by gas chromatography (GC) preceded by a special online pre-concentration trap system, which decreases the detection limit by a factor of over 1000 compared to a conventional GC. Major species (reactants, CO, etc.), 32 small intermediates (C<sub>1</sub>-C<sub>5</sub> like formaldehyde, acetaldehyde, acetylene, cyclopentadiene, etc.), 12 non-oxygenated aromatics (benzene, naphthalene, phenanthrene, etc.), and especially 24 oxygenated aromatics (phenol, 2,2-biphenol, dibenzofuran, 9H-xanthene…) including several OPAHs at ppb concentration levels were quantified. Interestingly, flame structure analysis shows that oxygenated aromatics peak closer to the burner surface as compared to non-oxygenated aromatics. The number of rings for non-oxygenated aromatics was observed to increase with the height above the burner, indicating that one-ring aromatics form before two- or three-ring aromatics. However, this is not always the case for oxygenated aromatics. Three-ring OPAHs are almost as abundant as the three-ring PAHs in terms of quantity, some three-ring OPAHs are even twice as abundant as their analogous PAHs (e.g., benzofuran vs fluorene, 9H-xanthene vs anthracene, etc.), which emphasizes their importance and certainly implies that these species need to be considered in kinetic studies. However, unlike PAHs, only less than half of the quantified OPAHs are currently present in literature models for anisole combustion.</p></div>","PeriodicalId":408,"journal":{"name":"Proceedings of the Combustion Institute","volume":"40 1","pages":"Article 105289"},"PeriodicalIF":5.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141480718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Flickering of laminar diffusion flames is known to be caused by the buoyancy-induced toroidal vortices attached to the outer flame surface, making a classical model for understanding flame-vortex interactions. This work experimentally investigates the impacts of ambient coflow on the flickering behaviors of a buoyant jet diffusion flame. Utilizing a simultaneous high-speed flame imaging/OH⁎ chemiluminescence imaging/particle image velocimetry measurement system, the evolutions and interactions of coherent flame and flow structures are resolved. The results demonstrate that the periodic deformation of the flame surface (i.e., flame flickering) arises from the periodic formation, growth, and shedding of the buoyancy-induced outer vortex rings (OVRs), manifesting as a hydrodynamic instability developing along the outer shear layer (OSL). Upon applying a weak-to-moderate coflow, the flame bulge's size gradually reduces, and the flickering frequency slightly increases with increasing coflow velocity. The notable frequency jump phenomenon is confirmed as the coflow velocity rises to a threshold value such that the flickering frequency undergoes a sudden increase of 3–4 Hz; this is also accompanied by a significant reduction in the flame bulge's size and a delay in flame pinch-off. Moreover, a second frequency jump of 2–3 Hz occurs at a higher coflow velocity. Based on quantitative analysis of the OVR core's evolution, we find that the frequency jumps result from a sudden downstream shift of the initial OVR core, essentially indicating the jump of the instability onset point of the OSL. From a hydrodynamic instability perspective, this phenomenon can be explained as a stabilization effect of the coflow on the OSL, resulting in the re-establishment of the instability condition in a downstream location.
{"title":"Frequency jump of a flickering buoyant jet diffusion flame influenced by ambient coflow","authors":"Haodong Zhang, Yifan Yang, Linye Li, Yuqian Peng, Xi Xia, Fei Qi","doi":"10.1016/j.proci.2024.105321","DOIUrl":"https://doi.org/10.1016/j.proci.2024.105321","url":null,"abstract":"<div><p>Flickering of laminar diffusion flames is known to be caused by the buoyancy-induced toroidal vortices attached to the outer flame surface, making a classical model for understanding flame-vortex interactions. This work experimentally investigates the impacts of ambient coflow on the flickering behaviors of a buoyant jet diffusion flame. Utilizing a simultaneous high-speed flame imaging/OH<sup>⁎</sup> chemiluminescence imaging/particle image velocimetry measurement system, the evolutions and interactions of coherent flame and flow structures are resolved. The results demonstrate that the periodic deformation of the flame surface (i.e., flame flickering) arises from the periodic formation, growth, and shedding of the buoyancy-induced outer vortex rings (OVRs), manifesting as a hydrodynamic instability developing along the outer shear layer (OSL). Upon applying a weak-to-moderate coflow, the flame bulge's size gradually reduces, and the flickering frequency slightly increases with increasing coflow velocity. The notable frequency jump phenomenon is confirmed as the coflow velocity rises to a threshold value such that the flickering frequency undergoes a sudden increase of 3–4 Hz; this is also accompanied by a significant reduction in the flame bulge's size and a delay in flame pinch-off. Moreover, a second frequency jump of 2–3 Hz occurs at a higher coflow velocity. Based on quantitative analysis of the OVR core's evolution, we find that the frequency jumps result from a sudden downstream shift of the initial OVR core, essentially indicating the jump of the instability onset point of the OSL. From a hydrodynamic instability perspective, this phenomenon can be explained as a stabilization effect of the coflow on the OSL, resulting in the re-establishment of the instability condition in a downstream location.</p></div>","PeriodicalId":408,"journal":{"name":"Proceedings of the Combustion Institute","volume":"40 1","pages":"Article 105321"},"PeriodicalIF":5.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141481834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1016/j.proci.2024.105311
Jen Zen Ho , Mohsen Talei , Davy Brouzet , Wai Tong Chung , Pushan Sharma , Matthias Ihme
The Flame Surface Density (FSD) model is an affordable combustion model that has been widely used in simulating turbulent premixed flames. In Large Eddy Simulations (LES) with FSD, the combined effect of reaction and diffusion is governed by the Filtered Flame Front Displacement (FFFD) term. While the existing modelling approaches for this term are computationally cost-effective, their predictions still show inconsistencies in certain cases. This study aims to address these inconsistencies by generating Machine Learning (ML) models for the FFFD and FSD terms using the DNS data of a turbulent premixed jet flame. With this approach, the relevance of certain input parameters as well as certain modelling assumptions used for the FFFD term are assessed. Overall, it is found that the resolved curvature term is the most important input parameter to consider and that the resolved progress variable should also be considered in the models. It is shown that the ML models perform significantly better than legacy, algebraic formulations using a priori testing. To further assess the performance of ML, one of the ML models is employed in a a posteriori LES and compared against simulations with the algebraic model. The ML simulation is stable and yields encouraging improvements on key physical parameters regarding the flame length and the FFFD distribution.
Novelty and Significance Statement: This research is of importance because it answers fundamental and practical questions related to the use of combustion modelling approaches, specifically the Flame Surface Density (FSD) and the Filtered Flame Front Displacement (FFFD) models, by means of Machine Learning (ML) algorithms. From a fundamental aspect, we show that two features which are typically not considered as inputs in combustion models, i.e., the progress variable and the resolved curvature, are key to consider for improved predictions of the model, more so than features which are typically used in FSD modelling, i.e., and . From a practical standpoint, we demonstrate a framework to use the developed ML combustion model a posteriori in a LES, without any stability issues. Overall, these findings are key to guide further traditional and ML improvement efforts on combustion models.
火焰表面密度(FSD)模型是一种经济实惠的燃烧模型,被广泛用于模拟湍流预混火焰。在使用 FSD 的大涡流模拟(LES)中,反应和扩散的综合效应受过滤火焰前沿位移(FFFD)项控制。虽然现有的建模方法在计算上具有成本效益,但其预测结果在某些情况下仍存在不一致之处。本研究旨在利用湍流预混合喷射火焰的 DNS 数据,为 FFFD 和 FSD 项生成机器学习 (ML) 模型,从而解决这些不一致问题。通过这种方法,对 FFFD 项所使用的某些输入参数和某些建模假设的相关性进行了评估。总之,研究发现,解析曲率项是需要考虑的最重要的输入参数,而且在模型中还应考虑解析进度变量。先验测试表明,ML 模型的性能明显优于传统的代数公式。为了进一步评估 ML 的性能,在后验 LES 中使用了其中一个 ML 模型,并与代数模型的模拟结果进行了比较。ML 模拟效果稳定,并在火焰长度和 FFFD 分布等关键物理参数方面取得了令人鼓舞的改进:这项研究具有重要意义,因为它通过机器学习(ML)算法,回答了与使用燃烧建模方法(特别是火焰表面密度(FSD)和过滤火焰前沿位移(FFFD)模型)相关的基本问题和实际问题。从根本上讲,我们证明了两个通常不被视为燃烧模型输入的特征,即进度变量和解析曲率,是改进模型预测的关键,比通常用于 FSD 建模的特征,即 uΔ′、Δ 和 |∇c¯|更重要。从实用的角度来看,我们展示了在 LES 中使用所开发的 ML 燃烧后验模型的框架,而不存在任何稳定性问题。总之,这些发现是指导进一步改进燃烧模型的传统和 ML 方法的关键。
{"title":"Augmenting filtered flame front displacement models for LES using machine learning with a posteriori simulations","authors":"Jen Zen Ho , Mohsen Talei , Davy Brouzet , Wai Tong Chung , Pushan Sharma , Matthias Ihme","doi":"10.1016/j.proci.2024.105311","DOIUrl":"https://doi.org/10.1016/j.proci.2024.105311","url":null,"abstract":"<div><p>The Flame Surface Density (FSD) model is an affordable combustion model that has been widely used in simulating turbulent premixed flames. In Large Eddy Simulations (LES) with FSD, the combined effect of reaction and diffusion is governed by the Filtered Flame Front Displacement (FFFD) term. While the existing modelling approaches for this term are computationally cost-effective, their predictions still show inconsistencies in certain cases. This study aims to address these inconsistencies by generating Machine Learning (ML) models for the FFFD and FSD terms using the DNS data of a turbulent premixed jet flame. With this approach, the relevance of certain input parameters as well as certain modelling assumptions used for the FFFD term are assessed. Overall, it is found that the resolved curvature term is the most important input parameter to consider and that the resolved progress variable should also be considered in the models. It is shown that the ML models perform significantly better than legacy, algebraic formulations using <em>a priori</em> testing. To further assess the performance of ML, one of the ML models is employed in a <em>a posteriori</em> LES and compared against simulations with the algebraic model. The ML simulation is stable and yields encouraging improvements on key physical parameters regarding the flame length and the FFFD distribution.</p><p>Novelty and Significance Statement: This research is of importance because it answers fundamental and practical questions related to the use of combustion modelling approaches, specifically the Flame Surface Density (FSD) and the Filtered Flame Front Displacement (FFFD) models, by means of Machine Learning (ML) algorithms. From a fundamental aspect, we show that two features which are typically not considered as inputs in combustion models, i.e., the progress variable and the resolved curvature, are key to consider for improved predictions of the model, more so than features which are typically used in FSD modelling, i.e., <span><math><mrow><msubsup><mrow><mi>u</mi></mrow><mrow><mi>Δ</mi></mrow><mrow><mo>′</mo></mrow></msubsup><mo>,</mo><mi>Δ</mi><mo>,</mo></mrow></math></span> and <span><math><mrow><mo>|</mo><mo>∇</mo><mover><mrow><mi>c</mi></mrow><mo>¯</mo></mover><mo>|</mo></mrow></math></span>. From a practical standpoint, we demonstrate a framework to use the developed ML combustion model <em>a posteriori</em> in a LES, without any stability issues. Overall, these findings are key to guide further traditional and ML improvement efforts on combustion models.</p></div>","PeriodicalId":408,"journal":{"name":"Proceedings of the Combustion Institute","volume":"40 1","pages":"Article 105311"},"PeriodicalIF":5.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1540748924001214/pdfft?md5=f94c487c0fd79b1f0459dc91ef3299a0&pid=1-s2.0-S1540748924001214-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141481835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This work proposes a new method to estimate the Markstein number by investigating the thermoacoustic parametric instability of laminar premixed flames propagating downwards in an open-closed tube. Methane-air flames were propagated in a combustion tube to capture the flame evolution in transition to parametric instability. By synchronized high-speed imaging filming both lateral and longitudinal views of flame propagation, cellular flame wavenumbers are measured from the clear transition of flat flames to cellular flames visualized in the present approach. The Markstein number is indirectly determined from wavenumber measurements at the onset of parametric instability by employing a laminar flame model under acoustic excitation treating the Markstein number as a free parameter. Acoustic velocity fluctuation amplitudes obtained from pressure fluctuation measurements were determined to further evaluate the validity of wavenumber-derived Markstein numbers. Markstein numbers obtained in the present work are compared with Markstein numbers relative to fresh gases in the literature from indirect and computational methods.
{"title":"Determination method of Markstein number based on wavenumber measurement of cellular flames at the onset of parametric instability of downward propagating flames","authors":"Jerric R. Delfin , Feng Guo , Nozomu Hashimoto , Osamu Fujita","doi":"10.1016/j.proci.2024.105322","DOIUrl":"https://doi.org/10.1016/j.proci.2024.105322","url":null,"abstract":"<div><p>This work proposes a new method to estimate the Markstein number by investigating the thermoacoustic parametric instability of laminar premixed flames propagating downwards in an open-closed tube. Methane-air flames were propagated in a combustion tube to capture the flame evolution in transition to parametric instability. By synchronized high-speed imaging filming both lateral and longitudinal views of flame propagation, cellular flame wavenumbers are measured from the clear transition of flat flames to cellular flames visualized in the present approach. The Markstein number is indirectly determined from wavenumber measurements at the onset of parametric instability by employing a laminar flame model under acoustic excitation treating the Markstein number as a free parameter. Acoustic velocity fluctuation amplitudes obtained from pressure fluctuation measurements were determined to further evaluate the validity of wavenumber-derived Markstein numbers. Markstein numbers obtained in the present work are compared with Markstein numbers relative to fresh gases in the literature from indirect and computational methods.</p></div>","PeriodicalId":408,"journal":{"name":"Proceedings of the Combustion Institute","volume":"40 1","pages":"Article 105322"},"PeriodicalIF":5.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141484998","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1016/j.proci.2024.105456
María U. Alzueta , Teresa Pérez , Lorena Marrodán
The oxidation of methylamine (CH3NH2) and methane mixtures has been studied by experiments in a flow reactor at atmospheric pressure and temperatures of 350–1450 K. In addition to temperature, stoichiometry (ranging from fuel-rich to fuel-lean conditions) and the presence of NO have been evaluated. Several diagnostic techniques have been used to experimentally quantify many different species: gas chromatography, Fourier Transform Infra-red spectroscopy (FTIR) and an infra-red NO analyzer. Results show a negligible influence of stoichiometry both on the conversion of MEA and CH4 in the absence of NO, while the presence of NO acts to inhibit the conversion of CH4 with no appreciable influence on MEA conversion. This indicates the complex interaction occurring in the MEA/CH4/NO mixtures, for which the mechanism is not able to properly predict the conversion of CH4 in the presence of NO, while the rest of compounds are well reproduced both in the absence and presence of NO. This fact, together with the probable formation of species containing C and N, due to the presence of additional unidentified species and the deep analysis of the mass balances carried out, supports the idea of the formation of C-N species, not clearly identified so far. The literature mechanism used in simulations has provided good results in reproducing most of the species and conditions considered. The largest discrepancy has been observed for CH4 conversion in the presence of NO, supporting the existence of missing interactions in the mechanism.
通过在常压和 350-1450 K 温度条件下的流动反应器中进行实验,研究了甲胺(CH3NH2)和甲烷混合物的氧化过程。使用了几种诊断技术对许多不同的物种进行实验量化:气相色谱法、傅立叶变换红外光谱法(FTIR)和红外氮氧化物分析仪。结果表明,在没有 NO 的情况下,化学计量对 MEA 和 CH4 转化的影响微乎其微,而 NO 的存在会抑制 CH4 的转化,但对 MEA 的转化没有明显影响。这表明在 MEA/CH4/NO 混合物中发生了复杂的相互作用,其机理无法正确预测在有 NO 存在的情况下 CH4 的转化率,而其余化合物在没有 NO 和有 NO 存在的情况下都能很好地再现。这一事实,加上由于存在其他未确定的物种而可能形成的含有 C 和 N 的物种,以及对质量平衡进行的深入分析,支持了形成迄今尚未明确确定的 C-N 物种的观点。模拟中使用的文献机制在再现大多数物种和条件方面取得了良好的结果。在有 NO 存在的情况下,CH4 转化的差异最大,这证明了该机制中存在缺失的相互作用。
{"title":"Oxidation of methylamine (CH3NH2)/CH4/NO mixtures in an atmospheric-pressure flow reactor","authors":"María U. Alzueta , Teresa Pérez , Lorena Marrodán","doi":"10.1016/j.proci.2024.105456","DOIUrl":"https://doi.org/10.1016/j.proci.2024.105456","url":null,"abstract":"<div><p>The oxidation of methylamine (CH<sub>3</sub>NH<sub>2</sub>) and methane mixtures has been studied by experiments in a flow reactor at atmospheric pressure and temperatures of 350–1450 K. In addition to temperature, stoichiometry (ranging from fuel-rich to fuel-lean conditions) and the presence of NO have been evaluated. Several diagnostic techniques have been used to experimentally quantify many different species: gas chromatography, Fourier Transform Infra-red spectroscopy (FTIR) and an infra-red NO analyzer. Results show a negligible influence of stoichiometry both on the conversion of MEA and CH<sub>4</sub> in the absence of NO, while the presence of NO acts to inhibit the conversion of CH<sub>4</sub> with no appreciable influence on MEA conversion. This indicates the complex interaction occurring in the MEA/CH<sub>4</sub>/NO mixtures, for which the mechanism is not able to properly predict the conversion of CH<sub>4</sub> in the presence of NO, while the rest of compounds are well reproduced both in the absence and presence of NO. This fact, together with the probable formation of species containing C and N, due to the presence of additional unidentified species and the deep analysis of the mass balances carried out, supports the idea of the formation of C-N species, not clearly identified so far. The literature mechanism used in simulations has provided good results in reproducing most of the species and conditions considered. The largest discrepancy has been observed for CH<sub>4</sub> conversion in the presence of NO, supporting the existence of missing interactions in the mechanism.</p></div>","PeriodicalId":408,"journal":{"name":"Proceedings of the Combustion Institute","volume":"40 1","pages":"Article 105456"},"PeriodicalIF":5.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141540856","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1016/j.proci.2024.105203
Elie Antar, Etienne Robert
Intrinsic combustion instabilities that onset in NH–H and NH–CH non-premixed flames are experimentally characterized. A unique research burner capable of creating a good approximation of the classical one-dimensional chambered non-premixed configuration is used, enabling direct comparison with theoretical stability models based on this simple configuration. Starting from a stable flame near the Burke-Schumann limit, the Damköhler number is gradually reduced by decreasing the fuel concentration, going through the marginal stability state where instabilities onset. Both CO and dilution are considered, and global stability limits are provided for a wide range of fuel blends. The instabilities are diffusive-thermal in nature, where it is shown that unstable NH–CH flames exhibit pulsations in their reaction rates due to their large Lewis numbers. The characteristic pulsation frequency is highly dependent on the NH fraction in the fuel. A peculiar phenomenon is reported when H with a small Lewis number is added to the less mobile NH species. Superimposed cellular-pulsating instabilities form in NH–H flames, which are thoroughly characterized as a function of the NH fraction.
{"title":"Intrinsic combustion instabilities in ammonia-hydrogen/methane non-premixed flames","authors":"Elie Antar, Etienne Robert","doi":"10.1016/j.proci.2024.105203","DOIUrl":"https://doi.org/10.1016/j.proci.2024.105203","url":null,"abstract":"<div><p>Intrinsic combustion instabilities that onset in NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>–H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>–CH<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> non-premixed flames are experimentally characterized. A unique research burner capable of creating a good approximation of the classical one-dimensional chambered non-premixed configuration is used, enabling direct comparison with theoretical stability models based on this simple configuration. Starting from a stable flame near the Burke-Schumann limit, the Damköhler number is gradually reduced by decreasing the fuel concentration, going through the marginal stability state where instabilities onset. Both CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and <span><math><msub><mrow><mi>N</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span> dilution are considered, and global stability limits are provided for a wide range of fuel blends. The instabilities are diffusive-thermal in nature, where it is shown that unstable NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>–CH<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> flames exhibit pulsations in their reaction rates due to their large Lewis numbers. The characteristic pulsation frequency is highly dependent on the NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> fraction in the fuel. A peculiar phenomenon is reported when H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> with a small Lewis number is added to the less mobile NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> species. Superimposed cellular-pulsating instabilities form in NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>–H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> flames, which are thoroughly characterized as a function of the NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> fraction.</p></div>","PeriodicalId":408,"journal":{"name":"Proceedings of the Combustion Institute","volume":"40 1","pages":"Article 105203"},"PeriodicalIF":5.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1540748924000130/pdfft?md5=46a2824595e4d546692f3894986bc347&pid=1-s2.0-S1540748924000130-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141540863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1016/j.proci.2024.105460
Mohamed Sy, Jiabiao Zou, Mohammad Adil, Ali Elkhazraji, Mhanna Mhanna, Aamir Farooq
Isoprene holds significant relevance in the realm of atmospheric and combustion chemistry due to its widespread occurrence in both natural and anthropogenic sources. Despite the pivotal role of isoprene in global emissions and combustion scenarios, a detailed understanding of its speciation during thermal decomposition is lacking. Leveraging recent advancements, our focus is on time-resolved speciation behind reflected shock waves, providing precise quantification of the mole fraction time histories of major products. Using a low-pressure shock tube, we investigate isoprene pyrolysis over temperatures of 1280–1780 K and pressures ranging 2.8 to 3.2 bar. Employing multi-wavelength analysis technique, five laser beams are co-aligned through the shock tube to measure the evolution of five major hydrocarbons, namely isoprene, methane, ethylene, acetylene, and 1,3-butadiene, offering a comprehensive overview of isoprene pyrolysis. Comparison of the measured data with the predictions of literature kinetic models shows the inadequacy of existing models. Our proposed model, featuring an updated isoprene pyrolysis subset, enhances predictability and highlights the intricate chemistry of isoprene pyrolysis. Rate of production and sensitivity analyses are used to illustrate key pathways responsible for the formation of observed species. This work will help advance our understanding of isoprene's role in combustion chemistry and pollutant formation, facilitating the optimization of future energy systems.
异戊二烯广泛存在于自然和人为来源中,因此在大气和燃烧化学领域具有重要意义。尽管异戊二烯在全球排放和燃烧过程中发挥着关键作用,但人们对其在热分解过程中的标示却缺乏详细了解。利用最新进展,我们重点研究了反射冲击波背后的时间分辨标示,从而精确量化了主要产物的分子分数时间历程。利用低压冲击管,我们研究了异戊二烯在 1280-1780 K 温度和 2.8-3.2 bar 压力范围内的热解过程。利用多波长分析技术,五束激光在冲击管中共同对准,测量了五种主要碳氢化合物(即异戊二烯、甲烷、乙烯、乙炔和 1,3-丁二烯)的演变过程,从而全面了解了异戊二烯热解过程。将测量数据与文献动力学模型的预测结果进行比较,可以发现现有模型的不足之处。我们提出的模型更新了异戊二烯热解子集,提高了可预测性,并突出了异戊二烯热解的复杂化学过程。生产率和敏感性分析用于说明观察到的物种形成的关键途径。这项工作将有助于我们进一步了解异戊二烯在燃烧化学和污染物形成中的作用,从而促进未来能源系统的优化。
{"title":"Laser-based speciation of isoprene thermal decomposition behind reflected shock waves","authors":"Mohamed Sy, Jiabiao Zou, Mohammad Adil, Ali Elkhazraji, Mhanna Mhanna, Aamir Farooq","doi":"10.1016/j.proci.2024.105460","DOIUrl":"https://doi.org/10.1016/j.proci.2024.105460","url":null,"abstract":"<div><p>Isoprene holds significant relevance in the realm of atmospheric and combustion chemistry due to its widespread occurrence in both natural and anthropogenic sources. Despite the pivotal role of isoprene in global emissions and combustion scenarios, a detailed understanding of its speciation during thermal decomposition is lacking. Leveraging recent advancements, our focus is on time-resolved speciation behind reflected shock waves, providing precise quantification of the mole fraction time histories of major products. Using a low-pressure shock tube, we investigate isoprene pyrolysis over temperatures of 1280–1780 K and pressures ranging 2.8 to 3.2 bar. Employing multi-wavelength analysis technique, five laser beams are co-aligned through the shock tube to measure the evolution of five major hydrocarbons, namely isoprene, methane, ethylene, acetylene, and 1,3-butadiene, offering a comprehensive overview of isoprene pyrolysis. Comparison of the measured data with the predictions of literature kinetic models shows the inadequacy of existing models. Our proposed model, featuring an updated isoprene pyrolysis subset, enhances predictability and highlights the intricate chemistry of isoprene pyrolysis. Rate of production and sensitivity analyses are used to illustrate key pathways responsible for the formation of observed species. This work will help advance our understanding of isoprene's role in combustion chemistry and pollutant formation, facilitating the optimization of future energy systems.</p></div>","PeriodicalId":408,"journal":{"name":"Proceedings of the Combustion Institute","volume":"40 1","pages":"Article 105460"},"PeriodicalIF":5.3,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141542614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}