Pub Date : 2024-06-07DOI: 10.1016/j.combustflame.2024.113533
Karl Alexander Heufer , Rene Daniel Büttgen , Luna Pratali Maffei , Matteo Pelucchi
Due to the current interest in biomass derived carbon neutral fuels and fuel additives for gasoline engines and to the growing need of understanding the fundamentals of gas phase combustion in the context of wildfires, this study investigates the combustion behavior of key components of biomass pyrolysis oils, namely the three methylanisole isomers (ortho-, meta- and para-methylanisole). Specifically, this study presents the first experimental ignition delay time measurements for such fuels using a shock tube and a rapid compression machine. Ignition experiments were carried out for stoichiometric fuel/air mixtures (φ = 1) at compressed pressure pc = 10 and 20 bar, covering a temperature range Tc = 880–1220 K. A kinetic model based on previous efforts in the area of oxygenated aromatic hydrocarbon fuels is proposed to reproduce and interpret the experimental findings, specifically focusing on capturing the observed different reactivity of the three isomers. To this aim, thermodynamic properties of primary intermediates and bond dissociation energies were calculated highlighting relevant differences originated from the relative position of the O–CH3 and –CH3 substituents. In addition, an isomerization pathway specific to the ortho isomer was theoretically investigated and found to motivate the observed higher reactivity with respect to the meta and para isomers
由于目前人们对用于汽油发动机的生物质衍生碳中性燃料和燃料添加剂很感兴趣,而且越来越需要了解野火背景下气相燃烧的基本原理,本研究对生物质热解油的主要成分,即三种甲基苯甲醚异构体(正、偏和对甲基苯甲醚)的燃烧行为进行了调查。具体来说,本研究首次使用冲击管和快速压缩机对此类燃料的点火延迟时间进行了实验测量。在压缩压力 pc = 10 和 20 巴、温度范围 Tc = 880-1220 K 的条件下,对化学计量燃料/空气混合物(φ = 1)进行了点火实验。根据以往在含氧芳香烃燃料领域所做的工作,提出了一个动力学模型来再现和解释实验结果,特别侧重于捕捉观察到的三种异构体的不同反应性。为此,计算了初级中间产物的热力学性质和键解离能,突出了 O-CH3 和 -CH3 取代基的相对位置所产生的相关差异。此外,还对正异构体特有的异构化途径进行了理论研究,结果发现,与元异构体和对位异构体相比,正异构体具有更高的反应活性。
{"title":"Relative reactivity of methyl anisole isomers: An experimental and kinetic modelling study","authors":"Karl Alexander Heufer , Rene Daniel Büttgen , Luna Pratali Maffei , Matteo Pelucchi","doi":"10.1016/j.combustflame.2024.113533","DOIUrl":"https://doi.org/10.1016/j.combustflame.2024.113533","url":null,"abstract":"<div><p>Due to the current interest in biomass derived carbon neutral fuels and fuel additives for gasoline engines and to the growing need of understanding the fundamentals of gas phase combustion in the context of wildfires, this study investigates the combustion behavior of key components of biomass pyrolysis oils, namely the three methylanisole isomers (ortho-, meta- and para-methylanisole). Specifically, this study presents the first experimental ignition delay time measurements for such fuels using a shock tube and a rapid compression machine. Ignition experiments were carried out for stoichiometric fuel/air mixtures (φ = 1) at compressed pressure p<sub>c</sub> = 10 and 20 bar, covering a temperature range T<sub>c</sub> = 880–1220 K. A kinetic model based on previous efforts in the area of oxygenated aromatic hydrocarbon fuels is proposed to reproduce and interpret the experimental findings, specifically focusing on capturing the observed different reactivity of the three isomers. To this aim, thermodynamic properties of primary intermediates and bond dissociation energies were calculated highlighting relevant differences originated from the relative position of the O–CH<sub>3</sub> and –CH<sub>3</sub> substituents. In addition, an isomerization pathway specific to the ortho isomer was theoretically investigated and found to motivate the observed higher reactivity with respect to the meta and para isomers</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":4.4,"publicationDate":"2024-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0010218024002426/pdfft?md5=96d247a0f08c4d0300dd85241d970d33&pid=1-s2.0-S0010218024002426-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141290996","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 : 2024-06-05DOI: 10.1016/j.combustflame.2024.113512
Ping Chen , Cheng Gong , Mingyan Gu , Kun Luo , Jianren Fan
Ammonia-coal co-combustion can significantly reduce CO2 emissions from pulverized coal boiler. However, since ammonia is a blended high-nitrogen fuel, an inevitably increases the risk of high NOx emissions. Therefore, in-depth research on the transformation path of fuel-N during ammonia-coal co-combustion is the key to achieving low-nitrogen combustion. Since naturally occurring minerals in coal impact the migration and transformation of fuel-N, we report an experimental study coupled with quantum chemistry calculations to study the generation of nitrogen oxides during ammonia-coal co-combustion, in the presence of the inherent mineral Fe. The experimental results showed that under all the temperatures and ammonia co-firing ratios studied in this work, ammonia-coupled Fe-impregnated pulverized coal inhibited NO generation compared to coal without Fe impregnation. Theoretical calculations provided the possible existing forms of Fe in this system, and revealed the molecular pathways for the oxidation of ammonia-N to the nitrogen-containing intermediates of HNO and NCO, as influenced by the presence of mineral Fe. It was found that with impregnated Fe, the activation energy of the rate-determining step for the oxidation of fuel-N was about 30–40 kJ/mol higher than that without Fe impregnation; thus, Fe reduced the oxidation rate of fuel-N. The theoretical calculations elaborated the mechanism of the inhibited generation of nitrogen oxides with mineral Fe. The results indicated the enhancement of binding energy between nitrogen products and the surface of coal char.
{"title":"Mechanism of mineral Fe on fuel-N oxidation during ammonia-coal co-combustion: Experimental and quantum chemistry study","authors":"Ping Chen , Cheng Gong , Mingyan Gu , Kun Luo , Jianren Fan","doi":"10.1016/j.combustflame.2024.113512","DOIUrl":"https://doi.org/10.1016/j.combustflame.2024.113512","url":null,"abstract":"<div><p>Ammonia-coal co-combustion can significantly reduce CO<sub>2</sub> emissions from pulverized coal boiler. However, since ammonia is a blended high-nitrogen fuel, an inevitably increases the risk of high NOx emissions. Therefore, in-depth research on the transformation path of fuel-N during ammonia-coal co-combustion is the key to achieving low-nitrogen combustion. Since naturally occurring minerals in coal impact the migration and transformation of fuel-N, we report an experimental study coupled with quantum chemistry calculations to study the generation of nitrogen oxides during ammonia-coal co-combustion, in the presence of the inherent mineral Fe. The experimental results showed that under all the temperatures and ammonia co-firing ratios studied in this work, ammonia-coupled Fe-impregnated pulverized coal inhibited NO generation compared to coal without Fe impregnation. Theoretical calculations provided the possible existing forms of Fe in this system, and revealed the molecular pathways for the oxidation of ammonia-N to the nitrogen-containing intermediates of HNO and NCO, as influenced by the presence of mineral Fe. It was found that with impregnated Fe, the activation energy of the rate-determining step for the oxidation of fuel-N was about 30–40 kJ/mol higher than that without Fe impregnation; thus, Fe reduced the oxidation rate of fuel-N. The theoretical calculations elaborated the mechanism of the inhibited generation of nitrogen oxides with mineral Fe. The results indicated the enhancement of binding energy between nitrogen products and the surface of coal char.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":4.4,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141249717","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 : 2024-06-05DOI: 10.1016/j.combustflame.2024.113542
Wei Zhang , Hongwei Zang , Shuo Wang , Junyan Chen , Helong Li , Huailiang Xu , Ruxin Li
Laser ignition (LI) is promising for green combustion of lean-fuel mixtures with controllable ignition timing and location. It was recently discovered that despite the inferior energy deposition and low thermal temperature in femtosecond (fs) laser-induced plasma, fs laser pulses can achieve a robust ignition of lean-fuel mixture through forming a “line” kernel by filamentation. Here, to clarify fs-LI mechanism, we investigated a dual-color (DC: 800 nm at 1.5 mJ and 400 nm at 0.43 mJ, ∼50 fs) fs-LI of a lean methane/air mixture with an equivalence ratio of φ = 0.87. An optical emission spectroscopy study was conducted to probe the N2+ and OH emissions and characterize the ignition success rate. It was demonstrated that fs-LI can be achieved at a lower minimum ignition energy (MIE) (<0.46 mJ) by the DC scheme than that (>0.7 mJ) by a single-color (SC: 800 nm at 2.0 and 2.4 mJ, ∼50 fs) scheme, indicating a strong wavelength effect on the successful ignition. A pump-probe measurement was carried out to reveal the effect of the ionization enhancement on the successful ignition. It was found that only when the two-color fs pulses are temporally overlapped, the OH yield is strongly enhanced and the MIE is decreased. By comparing the variation trend of the fluorescence intensity of OH with that of the direct ionization product N2+, we ascribed fs-LI to a non-resonant photochemical ignition mechanism, in which the enhancement in the multiphoton/tunnel ionization of the lean-fuel mixture by the high-energy 400-nm photon can increase the yields of the reactive radicals through various dissociation and chain reaction pathways, and thus result in the successful ignition at the micro-joule level. This work unravels the essential role of the non-resonant photochemical ignition mechanism in fs-LI, and provides a promising route for the ignition of lean-fuel engines by compact ultrashort-pulsed lasers in the filamentation regime.
{"title":"Non-resonant photochemical ignition of lean methane/air mixtures by femtosecond laser filamentation","authors":"Wei Zhang , Hongwei Zang , Shuo Wang , Junyan Chen , Helong Li , Huailiang Xu , Ruxin Li","doi":"10.1016/j.combustflame.2024.113542","DOIUrl":"https://doi.org/10.1016/j.combustflame.2024.113542","url":null,"abstract":"<div><p>Laser ignition (LI) is promising for green combustion of lean-fuel mixtures with controllable ignition timing and location. It was recently discovered that despite the inferior energy deposition and low thermal temperature in femtosecond (fs) laser-induced plasma, fs laser pulses can achieve a robust ignition of lean-fuel mixture through forming a “line” kernel by filamentation. Here, to clarify fs-LI mechanism, we investigated a dual-color (DC: 800 nm at 1.5 mJ and 400 nm at 0.43 mJ, ∼50 fs) fs-LI of a lean methane/air mixture with an equivalence ratio of <em>φ</em> = 0.87. An optical emission spectroscopy study was conducted to probe the N<sub>2</sub><sup>+</sup> and OH emissions and characterize the ignition success rate. It was demonstrated that fs-LI can be achieved at a lower minimum ignition energy (MIE) (<0.46 mJ) by the DC scheme than that (>0.7 mJ) by a single-color (SC: 800 nm at 2.0 and 2.4 mJ, ∼50 fs) scheme, indicating a strong wavelength effect on the successful ignition. A pump-probe measurement was carried out to reveal the effect of the ionization enhancement on the successful ignition. It was found that only when the two-color fs pulses are temporally overlapped, the OH yield is strongly enhanced and the MIE is decreased. By comparing the variation trend of the fluorescence intensity of OH with that of the direct ionization product N<sub>2</sub><sup>+</sup>, we ascribed fs-LI to a non-resonant photochemical ignition mechanism, in which the enhancement in the multiphoton/tunnel ionization of the lean-fuel mixture by the high-energy 400-nm photon can increase the yields of the reactive radicals through various dissociation and chain reaction pathways, and thus result in the successful ignition at the micro-joule level. This work unravels the essential role of the non-resonant photochemical ignition mechanism in fs-LI, and provides a promising route for the ignition of lean-fuel engines by compact ultrashort-pulsed lasers in the filamentation regime.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":4.4,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141249714","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 : 2024-06-05DOI: 10.1016/j.combustflame.2024.113500
Meng Yang , Tao Yu , Saiqing Meng , Ming Fang , Xiaolong Fu , Chenglong Tang , Zuohua Huang
With good mechanical properties and high specific impulse, nitrate ester plasticized polyether (NEPE) is potentially well suited for future high-energy propulsion systems. In this study, ignition and combustion behaviors of NEPE propellants with different graphene oxide (GO) addition contents were investigated under rapid thermal stimulus using an optical rapid compression machine (RCM). Ignition sensitivity was studied by examining the pressure evolutions and high-speed images at different temperatures and pressures. Results show that the lowest ignition temperature for all NEPE propellants decreases with the increase of pressure. At fixed pressure NEPE propellant without GO (GO0) has the lowest ignition temperature among all propellants, indicating that addition of GO decreases the ignition sensitivity of NEPE propellant. Interestingly, with the increase of GO ratio (GO/(GO + CL-20)) from 0.5 % to 2.0 %, the lowest ignition temperature presents a nonmonotonic increase. The addition of 0.5 % and 1.5 % have excellent desensitized effects, which have the potential to be applied in future propulsion systems. Moreover, the hot spots for all samples locate left or right surface of propellant, strong convective heat transfer by the rapid movement of pistons in RCM occurs. Secondly, the burning rate of GO0 is around 11 mm/s at 40 bar and 940 K, as observed by high-speed images. Note that burning rates are increased by 30–45 % with the addition of GO. In addition, simultaneous thermal analysis (STA) experiments were used to reveal the overall reactivity of the samples and NEPE propellant combustion kinetic process under rapid thermal stimulus was illustrated.
硝酸酯增塑聚醚(NEPE)具有良好的机械性能和较高的比冲,非常适合用于未来的高能推进系统。本研究使用光学快速压缩机(RCM)研究了不同氧化石墨烯(GO)添加量的 NEPE 推进剂在快速热刺激下的点火和燃烧行为。通过检测不同温度和压力下的压力演变和高速图像,研究了点火敏感性。结果表明,所有 NEPE 推进剂的最低点火温度都随着压力的增加而降低。在固定压力下,不添加 GO 的 NEPE 推进剂(GO0)的点火温度在所有推进剂中最低,这表明添加 GO 会降低 NEPE 推进剂的点火灵敏度。有趣的是,随着 GO 比率(GO/(GO + CL-20))从 0.5 % 增加到 2.0 %,最低点火温度呈现非单调增长。0.5 % 和 1.5 % 的添加量具有极佳的脱敏效果,有望应用于未来的推进系统。此外,所有样品的热点都位于推进剂的左右表面,RCM 中活塞的快速运动产生了强烈的对流传热。其次,根据高速图像观察,在 40 巴和 940 K 条件下,GO0 的燃烧速率约为 11 mm/s。请注意,添加 GO 后,燃烧速率提高了 30-45%。此外,还利用同步热分析(STA)实验揭示了样品的整体反应性,并说明了在快速热刺激下 NEPE 推进剂的燃烧动力学过程。
{"title":"Effects of graphene oxide addition on ignition sensitivity and burning rate of NEPE propellant under rapid thermal stimulus","authors":"Meng Yang , Tao Yu , Saiqing Meng , Ming Fang , Xiaolong Fu , Chenglong Tang , Zuohua Huang","doi":"10.1016/j.combustflame.2024.113500","DOIUrl":"https://doi.org/10.1016/j.combustflame.2024.113500","url":null,"abstract":"<div><p>With good mechanical properties and high specific impulse, nitrate ester plasticized polyether (NEPE) is potentially well suited for future high-energy propulsion systems. In this study, ignition and combustion behaviors of NEPE propellants with different graphene oxide (GO) addition contents were investigated under rapid thermal stimulus using an optical rapid compression machine (RCM). Ignition sensitivity was studied by examining the pressure evolutions and high-speed images at different temperatures and pressures. Results show that the lowest ignition temperature for all NEPE propellants decreases with the increase of pressure. At fixed pressure NEPE propellant without GO (GO0) has the lowest ignition temperature among all propellants, indicating that addition of GO decreases the ignition sensitivity of NEPE propellant. Interestingly, with the increase of GO ratio (GO/(GO + CL-20)) from 0.5 % to 2.0 %, the lowest ignition temperature presents a nonmonotonic increase. The addition of 0.5 % and 1.5 % have excellent desensitized effects, which have the potential to be applied in future propulsion systems. Moreover, the hot spots for all samples locate left or right surface of propellant, strong convective heat transfer by the rapid movement of pistons in RCM occurs. Secondly, the burning rate of GO0 is around 11 mm/s at 40 bar and 940 K, as observed by high-speed images. Note that burning rates are increased by 30–45 % with the addition of GO. In addition, simultaneous thermal analysis (STA) experiments were used to reveal the overall reactivity of the samples and NEPE propellant combustion kinetic process under rapid thermal stimulus was illustrated.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":4.4,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141249716","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 : 2024-06-05DOI: 10.1016/j.combustflame.2024.113536
Min Jung Lee , Young Tae Ghuak , Woonam Jung , Namsu Kim
This study is the first to present the emission characteristics of the fuel staging method for a pure ammonia-air flame using a coaxial tangential injection combustor. The primary combustor used in this study had the same swirl number of 3.3 as in a previous study; however, the dimension of the combustor was increased to examine at a higher thermal load. The emissions of NO, NO2, N2O, and NH3 were measured simultaneously under an elevated pressure. Consequently, secondary ammonia injection (fuel staging) was confirmed to be effective for NOx abatement even under pressurized conditions. In addition, excessive secondary ammonia injection exhibited an additional NOx reduction effect coupled with the generation of unburned N2O and NH3. The optimized amounts of NOx, N2O, and NH3 were 83, 23, and 11 ppm (@15 % O2, dry), respectively. The results of this study are expected to be useful as significant design and operating data for pure ammonia gas turbines.
{"title":"Emission control of an ammonia-air flame in a coaxial tangential injection combustor at elevated pressure conditions","authors":"Min Jung Lee , Young Tae Ghuak , Woonam Jung , Namsu Kim","doi":"10.1016/j.combustflame.2024.113536","DOIUrl":"https://doi.org/10.1016/j.combustflame.2024.113536","url":null,"abstract":"<div><p>This study is the first to present the emission characteristics of the fuel staging method for a pure ammonia-air flame using a coaxial tangential injection combustor. The primary combustor used in this study had the same swirl number of 3.3 as in a previous study; however, the dimension of the combustor was increased to examine at a higher thermal load. The emissions of NO, NO<sub>2</sub>, N<sub>2</sub>O, and NH<sub>3</sub> were measured simultaneously under an elevated pressure. Consequently, secondary ammonia injection (fuel staging) was confirmed to be effective for NO<sub>x</sub> abatement even under pressurized conditions. In addition, excessive secondary ammonia injection exhibited an additional NO<sub>x</sub> reduction effect coupled with the generation of unburned N<sub>2</sub>O and NH<sub>3</sub>. The optimized amounts of NO<sub>x</sub>, N<sub>2</sub>O, and NH<sub>3</sub> were 83, 23, and 11 ppm (@15 % O<sub>2</sub>, dry), respectively. The results of this study are expected to be useful as significant design and operating data for pure ammonia gas turbines.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":4.4,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141249718","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 : 2024-06-01DOI: 10.1016/j.combustflame.2024.113535
Shuqi Yang , Wenyang Peng , Kang Zhao , Lang Chen , Xu Zhang , Liuwei Guo
This study presents a numerical simulation of detonation waves in insensitive high explosives (IHE). A direct numerical simulation (DNS) method of detonation waves propagation was developed. It solves two-dimensional reactive Euler equations by using a semi-discrete node-centered finite-volume (NCFV) scheme on triangle mesh. Employing ZND model analytical solution as the initial condition, the upper and lower boundary conditions were designed as local sonic equilibrium conditions. The DNS method was validated using steady detonation wave propagation experimental results for tri-amino-tri-nitro-benzene (TATB) based explosives. The two-dimensional steady detonation propagation of the circular arc experiments was completed using a non-embedded technique (electric and optical fibre probe velocimetry). The comparison results demonstrate that the numerical method can provide a good prediction of the pseudo-steady-state detonation wave front propagation and the angular speed.
本研究介绍了不敏感烈性炸药(IHE)引爆波的数值模拟。研究开发了一种直接数值模拟(DNS)引爆波传播的方法。它在三角形网格上使用半离散节点中心有限体积(NCFV)方案求解二维反应欧拉方程。采用 ZND 模型分析解作为初始条件,上下边界条件设计为局部声波平衡条件。利用基于三氨基三硝基苯(TATB)炸药的稳定爆轰波传播实验结果对 DNS 方法进行了验证。圆弧实验的二维稳定爆轰传播是使用非嵌入式技术(电和光纤探针测速)完成的。对比结果表明,数值方法可以很好地预测伪稳态起爆波前传播和角速度。
{"title":"Development of Node-centered finite-volume diffusion method on triangle mesh for detonation propagation simulation in insensitive high explosives","authors":"Shuqi Yang , Wenyang Peng , Kang Zhao , Lang Chen , Xu Zhang , Liuwei Guo","doi":"10.1016/j.combustflame.2024.113535","DOIUrl":"10.1016/j.combustflame.2024.113535","url":null,"abstract":"<div><p>This study presents a numerical simulation of detonation waves in insensitive high explosives (IHE). A direct numerical simulation (DNS) method of detonation waves propagation was developed. It solves two-dimensional reactive Euler equations by using a semi-discrete node-centered finite-volume (NCFV) scheme on triangle mesh. Employing ZND model analytical solution as the initial condition, the upper and lower boundary conditions were designed as local sonic equilibrium conditions. The DNS method was validated using steady detonation wave propagation experimental results for tri-amino-tri-nitro-benzene (TATB) based explosives. The two-dimensional steady detonation propagation of the circular arc experiments was completed using a non-embedded technique (electric and optical fibre probe velocimetry). The comparison results demonstrate that the numerical method can provide a good prediction of the pseudo-steady-state detonation wave front propagation and the angular speed.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":4.4,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194176","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}
A possible method for a flammability reduction of the polymeric materials is the introduction of flame retardants into their composition. An effective search for optimal flame retardants and an understanding of their inhibition mechanisms requires the extensive information on the chemistry of their transformation in flames. A new data on chemical flame structure of a premixed H2/O2/Ar flame doped with 1000 ppm of triphenyl phosphate (TPP) at a pressure of 1 atm was obtained with a molecular-beam mass-spectrometry technique. Among intermediate products of the TPP decomposition were identified: several large phosphorus containing compounds, small phosphorus containing species (PO, PO2, HOPO, HOPO2), cyclic hydrocarbons (benzene, toluene, phenol), phenyl and phenoxy radicals. The detailed kinetic mechanism proposed earlier for the thermal degradation of TPP was updated with several new reactions including reactions with common flame radicals H/OH/CH3. Reaction rate constants were calculated using the Rice-Ramsberger-Kassel-Marcus theory and potential energy surfaces obtained by the DLPNO-CCSD(T)/cc-pVQZ//ωb97xd/6-31G(d) method. A comparison between experimental data and simulation results with the new model has shown a satisfactory qualitative and quantitative agreement, which confirmed that, the TPP decomposition occurs in flame according to the proposed scheme.
{"title":"Development of the detailed mechanism of pyrolysis and combustion of triphenyl phosphate: New quantum chemistry calculations and experimental data on structure of the H2/O2/Ar flame doped with TPP","authors":"A.G. Shmakov , I.E. Gerasimov , D.A. Knyazkov , K.N. Osipova , O.P. Korobeinichev , S.A. Trubachev , A.M. Mebel , D.P. Porfiriev , A.R. Ghildina","doi":"10.1016/j.combustflame.2024.113534","DOIUrl":"10.1016/j.combustflame.2024.113534","url":null,"abstract":"<div><p>A possible method for a flammability reduction of the polymeric materials is the introduction of flame retardants into their composition. An effective search for optimal flame retardants and an understanding of their inhibition mechanisms requires the extensive information on the chemistry of their transformation in flames. A new data on chemical flame structure of a premixed H<sub>2</sub>/O<sub>2</sub>/Ar flame doped with 1000 ppm of triphenyl phosphate (TPP) at a pressure of 1 atm was obtained with a molecular-beam mass-spectrometry technique. Among intermediate products of the TPP decomposition were identified: several large phosphorus containing compounds, small phosphorus containing species (PO, PO<sub>2</sub>, HOPO, HOPO<sub>2</sub>), cyclic hydrocarbons (benzene, toluene, phenol), phenyl and phenoxy radicals. The detailed kinetic mechanism proposed earlier for the thermal degradation of TPP was updated with several new reactions including reactions with common flame radicals H/OH/CH<sub>3</sub>. Reaction rate constants were calculated using the Rice-Ramsberger-Kassel-Marcus theory and potential energy surfaces obtained by the DLPNO-CCSD(T)/cc-pVQZ//ωb97xd/6-31G(d) method. A comparison between experimental data and simulation results with the new model has shown a satisfactory qualitative and quantitative agreement, which confirmed that, the TPP decomposition occurs in flame according to the proposed scheme.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":4.4,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194248","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}
Methane has become increasingly popular in rocket propulsion, but low stability and limited flammability range have always been a concern about methane-powered systems. Many stabilization methods have been developed to change the geometrical or flow characteristics of the burner. However, most of these efforts have yet to be practically successful due to cost and compatibility issues. Alternatively, other methods such as microwave, dielectric barrier, and nanosecond repetitive pulse (NRP) discharges have been proven to be efficient by modifying the kinetic and transport pathways. NRP discharges have shown promising results as one of the most effective low-temperature plasma (LTP) methods. In this paper, chemiluminescence imaging is used to study the effect of NRP discharge on liftoff and blowout, as the important stabilization parameters, by recording the liftoff height and liftoff/blowout velocities under a wide range of discharge (=0–10 kHz and =11–19 kV) and jet velocity (=2–60 m/s). Depending on these parameters, four different discharge regimes of corona, diffuse, filamentary, and arc were observed. The results have shown that high-intensity plasma in a filamentary discharge regime can provide a significant advantage in delaying the liftoff conditions, but no improvements in the blowout were observed. It was also found that NRP discharge can reduce the liftoff height. To explore the cause of the increased stability, a parametric numerical study is conducted using detailed plasma-assisted methane kinetic modeling coupled to a 1D opposed diffusion flame simulation. Results show that the extinction limits of diffusion flames can be dramatically enhanced by LTP due to the local formation of high radical and excited species concentrations, with subsequent recombination leading to increased temperature and higher reactivity in the flame zone. In addition, a 1D laminar flame speed evaluation shows that the plasma-generated active species can dramatically increase the flame speed, which, in turn, reduces the lifted flame height above the burner surface.
{"title":"Experimental and numerical study of stabilized flame in inverse coflow turbulent jet using nanosecond repetitively pulsed discharges","authors":"Saeid Zare , Nir Druker , Joseph Lefkowitz , Omid Askari","doi":"10.1016/j.combustflame.2024.113515","DOIUrl":"10.1016/j.combustflame.2024.113515","url":null,"abstract":"<div><p>Methane has become increasingly popular in rocket propulsion, but low stability and limited flammability range have always been a concern about methane-powered systems. Many stabilization methods have been developed to change the geometrical or flow characteristics of the burner. However, most of these efforts have yet to be practically successful due to cost and compatibility issues. Alternatively, other methods such as microwave, dielectric barrier, and nanosecond repetitive pulse (NRP) discharges have been proven to be efficient by modifying the kinetic and transport pathways. NRP discharges have shown promising results as one of the most effective low-temperature plasma (LTP) methods. In this paper, chemiluminescence imaging is used to study the effect of NRP discharge on liftoff and blowout, as the important stabilization parameters, by recording the liftoff height and liftoff/blowout velocities under a wide range of discharge (<span><math><mi>f</mi></math></span>=0–10 kHz and <span><math><mi>V</mi></math></span>=11–19 kV) and jet velocity (<span><math><mrow><mi>ν</mi></mrow></math></span>=2–60 m/s). Depending on these parameters, four different discharge regimes of corona, diffuse, filamentary, and arc were observed. The results have shown that high-intensity plasma in a filamentary discharge regime can provide a significant advantage in delaying the liftoff conditions, but no improvements in the blowout were observed. It was also found that NRP discharge can reduce the liftoff height. To explore the cause of the increased stability, a parametric numerical study is conducted using detailed plasma-assisted methane kinetic modeling coupled to a 1D opposed diffusion flame simulation. Results show that the extinction limits of diffusion flames can be dramatically enhanced by LTP due to the local formation of high radical and excited species concentrations, with subsequent recombination leading to increased temperature and higher reactivity in the flame zone. In addition, a 1D laminar flame speed evaluation shows that the plasma-generated active species can dramatically increase the flame speed, which, in turn, reduces the lifted flame height above the burner surface.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":4.4,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194504","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 : 2024-05-31DOI: 10.1016/j.combustflame.2024.113532
Pengjin Cao, Chengchao Cui, Peng Cheng, Xiao Bai, Qinglian Li
Variable-thrust cryogenic propellant rocket engines are gaining significant research interest in space exploration. However, low-frequency unstable combustion is still a challenging scenario, especially in fuel-rich preburner and low-thrust operating conditions of deep variable thrust. To deeply understand the mechanism of low-frequency unstable combustion, chemiluminescence images of CH* and background light images of the spray were obtained synchronously by chemiluminescence imaging and laser background light imaging, respectively. Both the spray and flame stabilization of liquid oxygen/methane swirl coaxial injector were studied through the continuous regulation of liquid oxygen mass flow rate. The results showed that low-frequency unstable combustion occur in both the start-up stage and the throttled stage under the fuel-rich condition at a frequency of 39.1∼48.1 Hz and an amplitude of 30% of the average combustor pressure. It is found that the two-phase flow instability of liquid oxygen is likely to induce spray and flame instability, resulting in low-frequency unstable combustion. The dimension subcooling degree of liquid oxygen is an important factor affecting unstable combustion. When the dimensionless subcooling degree is larger than 0.7, the low-frequency unstable combustion is suppressed. On the other hand, as the mixing ratio decreases, the flame oscillation mode gradually transforms from the longitudinal oscillation mode to contraction/expansion mode. Flame filling up and flashback processes can be observed in both flame oscillation modes, and the entropy coupling mechanism of the oscillation mode is explained in detail. Furthermore, an oscillation period is determined to include four processes: propellants filling up and flame liftoff; heat release of the combustion products and entropy disturbance; acceleration of the entropy wave through the nozzle creating an acoustic disturbance; and flame flashback, in which the heat release time of combustion products and entropy disturbance is the longest.
{"title":"Investigation on spray and flame stabilization of a LOX/methane swirl coaxial injector","authors":"Pengjin Cao, Chengchao Cui, Peng Cheng, Xiao Bai, Qinglian Li","doi":"10.1016/j.combustflame.2024.113532","DOIUrl":"10.1016/j.combustflame.2024.113532","url":null,"abstract":"<div><p>Variable-thrust cryogenic propellant rocket engines are gaining significant research interest in space exploration. However, low-frequency unstable combustion is still a challenging scenario, especially in fuel-rich preburner and low-thrust operating conditions of deep variable thrust. To deeply understand the mechanism of low-frequency unstable combustion, chemiluminescence images of CH* and background light images of the spray were obtained synchronously by chemiluminescence imaging and laser background light imaging, respectively. Both the spray and flame stabilization of liquid oxygen/methane swirl coaxial injector were studied through the continuous regulation of liquid oxygen mass flow rate. The results showed that low-frequency unstable combustion occur in both the start-up stage and the throttled stage under the fuel-rich condition at a frequency of 39.1∼48.1 Hz and an amplitude of 30% of the average combustor pressure. It is found that the two-phase flow instability of liquid oxygen is likely to induce spray and flame instability, resulting in low-frequency unstable combustion. The dimension subcooling degree of liquid oxygen is an important factor affecting unstable combustion. When the dimensionless subcooling degree is larger than 0.7, the low-frequency unstable combustion is suppressed. On the other hand, as the mixing ratio decreases, the flame oscillation mode gradually transforms from the longitudinal oscillation mode to contraction/expansion mode. Flame filling up and flashback processes can be observed in both flame oscillation modes, and the entropy coupling mechanism of the oscillation mode is explained in detail. Furthermore, an oscillation period is determined to include four processes: propellants filling up and flame liftoff; heat release of the combustion products and entropy disturbance; acceleration of the entropy wave through the nozzle creating an acoustic disturbance; and flame flashback, in which the heat release time of combustion products and entropy disturbance is the longest.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":4.4,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194128","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 : 2024-05-31DOI: 10.1016/j.combustflame.2024.113502
Vahid Yousefi-Asli , Shem Lau-Chapdelaine , Gaby Ciccarelli
Normal shock wave reflection driven detonation initiation was investigated in a 7.63-cm square cross-section shock tube using novel stereo visualization. High-speed schlieren video captured shock reflection and detonation onset through the sidewall of the shock tube, and simultaneously, self-luminous imaging through the end wall enabled the determination of the location of detonation onset in three-dimensional space. Tests were carried out with nitrogen- diluted stoichiometric ethylene-oxygen. Weak and strong detonation initiation modes were observed at the low and high end of the reflected shock temperature range tested, respectively. A novel reflected shock bifurcation driven weak detonation initiation mode was observed at intermediate temperatures where a flame, ignited at one, or multiple, reflecting wall corners, accelerated along the channel wall corner reaching the bifurcated reflected shock wave. The flame rapidly spread through the bifurcation stagnation bubble transitioning to detonation. The reflected shock temperature range that this new weak initiation mode was observed depends on the reflected shock pressure. For low reflected shock pressures, typical of historic detonation initiation shock reflection studies, this weak bifurcation mode was not observed. Nonreactive three-dimensional Navier-Stokes simulations showed that the reflected shock bifurcation generates flow conditions along the channel wall corners that can explain the observed flame propagation from the end wall to the stagnation bubble, and the subsequent rapid spreading in the stagnation bubble.
{"title":"Novel weak detonation initiation from normal shock reflection in square cross-section shock tubes","authors":"Vahid Yousefi-Asli , Shem Lau-Chapdelaine , Gaby Ciccarelli","doi":"10.1016/j.combustflame.2024.113502","DOIUrl":"10.1016/j.combustflame.2024.113502","url":null,"abstract":"<div><p>Normal shock wave reflection driven detonation initiation was investigated in a 7.63-cm square cross-section shock tube using novel stereo visualization. High-speed schlieren video captured shock reflection and detonation onset through the sidewall of the shock tube, and simultaneously, self-luminous imaging through the end wall enabled the determination of the location of detonation onset in three-dimensional space. Tests were carried out with nitrogen- diluted stoichiometric ethylene-oxygen. Weak and strong detonation initiation modes were observed at the low and high end of the reflected shock temperature range tested, respectively. A novel reflected shock bifurcation driven weak detonation initiation mode was observed at intermediate temperatures where a flame, ignited at one, or multiple, reflecting wall corners, accelerated along the channel wall corner reaching the bifurcated reflected shock wave. The flame rapidly spread through the bifurcation stagnation bubble transitioning to detonation. The reflected shock temperature range that this new weak initiation mode was observed depends on the reflected shock pressure. For low reflected shock pressures, typical of historic detonation initiation shock reflection studies, this weak bifurcation mode was not observed. Nonreactive three-dimensional Navier-Stokes simulations showed that the reflected shock bifurcation generates flow conditions along the channel wall corners that can explain the observed flame propagation from the end wall to the stagnation bubble, and the subsequent rapid spreading in the stagnation bubble.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":4.4,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194129","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}