Article
Energy & Fuels
Yifan Jin, Xin Li, Xin Wang, Zhihao Ma, Xianglin Chu
Summary: The contribution of dimethyl ether (DME) to the ignition delay times (IDTs) of ammonia (NH3) was investigated. The experiments were conducted under different pressure, temperature, equivalence ratio, and NH3/DME mixing ratios. The results showed that the addition of DME decreased the IDTs and promoted the reactivity of NH3. The promoting effect of DME on NH3 ignition was weakened under higher temperature and pressure conditions. An updated mechanism was proposed to explain the promoting effect of DME on NH3 ignition, and the numerical analysis showed that it was primarily due to an increase in the rate of production and concentration of the radical pool, especially the OH radical pool.
Article
Energy & Fuels
Xin Li, Zhihao Ma, Yifan Jin, Xin Wang, Zhideng Xi, Shiji Hu, Xianglin Chu
Summary: This study aims to investigate the influence of methanol addition on the auto-ignition of ammonia under high temperature and low pressure. The ignition delay times (IDTs) of ammonia/methanol mixtures were studied using a shock tube at different conditions. A simplification model (NH3-M model) was constructed based on the Zhang and FFCM-1 mechanisms, and chemical kinetic analyses were performed. The results showed that the addition of 5% methanol significantly shortened the IDTs of the ammonia/methanol mixtures.
Article
Energy & Fuels
Dong He, Zhimin Peng, Yanjun Ding
Summary: This study compared the performance of different butane isomers as additives in hydrogen-enriched fuel mixtures through experiments and simulations. The results showed that adding isobutane significantly prolonged ignition delay times compared to n-butane, with differences in CO2 formation pathways at selected time points.
Article
Energy & Fuels
Xin Li, Xianglin Chu, Zhihao Ma, Yifan Jin, Xin Wang, Zhideng Xi, Shiji Hu, Hao Chen
Summary: In this study, the ignition delay times (IDTs) of ammonia/ethanol mixtures with different ethanol fractions were measured and analyzed. The results showed that ethanol had a nonlinear and strong ignition-enhancing effect on the IDT of ammonia. A new ammonia/ethanol model was proposed to predict the experimental results reliably.
Article
Thermodynamics
S. A. Alturaifi, C. R. Mulvihill, O. Mathieu, E. L. Petersen, J. Mike
Summary: This study provides shock-tube species time-history data for 2-methyl-2-butene (2M2B) to validate detailed chemical kinetics mechanisms, revealing discrepancies in major reaction pathways among different mechanisms. Sensitivity analysis and characterization of multiple characteristic times are used to quantify mechanism performance and validate rapid fuel decomposition reactions independently. The proper collection and interpretation of such data is documented, which is useful for future studies.
COMBUSTION AND FLAME
(2021)
Article
Energy & Fuels
Yitong Zhai, Zhandong Wang, Vasilios G. Samaras, S. Mani Sarathy
Summary: This study investigates the low-temperature oxidation of n-nonane and elucidates the formation mechanisms of various isomers through experimental and simulation approaches. It provides deep insights into the low-T oxidation of n-nonane and contributes to the development of kinetic models.
Article
Thermodynamics
Lei Shi, Dongdong Chen, Zujun Zheng, Ping Xu, Rui Wang, Changhua Zhang
Summary: Vitiation effect is crucial in combustion experiments, with NO2 playing a significant role in affecting the ignition behavior of hydrocarbons like n-heptane. The addition of NO2 can promote n-heptane oxidation and reduce ignition delay times at high temperatures, while having a minimal impact at lower temperatures. The effect of NO2 is dependent on temperature and NO2 concentration levels.
COMBUSTION AND FLAME
(2021)
Article
Thermodynamics
Jinhu Liang, Chen Zhao, Ziwen Zhao, Xinhui Wang, Ming-Xu Jia, Quan-De Wang, Yang Zhang, Fengqi Zhao
Summary: This study investigates the high-temperature ignition and pyrolysis characteristics of cyclohexylamine through experimental and kinetic modeling approaches. The results show that the ignition delay times and pyrolysis product distributions of cyclohexylamine are influenced by temperature, pressure, and equivalence ratio. A detailed kinetic mechanism accurately predicts the experimental results. Sensitivity analysis identifies the most sensitive reaction as O2 + H = O + OH, and the abstraction reaction of cyclohexylamine with OH radical also exhibits significant sensitivity coefficients. Reaction path analysis reveals the control role of abstraction reactions in the initial oxidation of cyclohexylamine.
COMBUSTION AND FLAME
(2023)
Article
Thermodynamics
Lincheng Li, Mingda Hu, Wenjing Qu, Zhen Gong, Liyan Feng
Summary: The study revealed that under high temperature and low pressure conditions, the ignition delay of methanol/n-heptane mixtures is influenced by the concentration of methanol and the presence of n-heptane. While an increase in methanol accelerates ignition, n-heptane promotes reactivity of the system but also shows inhibitory effects.
Article
Energy & Fuels
Yongchao Dong, Xin Wang, Zhihao Ma, Xin Li, Yifan Jin
Summary: NO2 was found to promote the ignition characteristics of methanol fuel by increasing the generation of OH radicals and rapid accumulation in the early ignition stage, which interfered with the reaction system and advanced the ignition of methanol.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Thermodynamics
Lingfeng Dai, Yi Yuan, Qianjin Lin, Wenyu Li, Chun Zou, Jiacheng Liu, Jianghui Luo
Summary: The ignition delay times (IDTs) of NH3/DMM mixtures at different DMM blending ratios were measured under specific conditions. A detailed DMM-NH3 model was proposed, which accurately predicted the IDTs and laminar flame speeds of NH3/DMM mixtures. The effects of various reactions, such as prompt NO and reburn reactions, recombination reactions, H-abstraction reactions, and disproportionation reactions, on ignition were discussed in detail.
COMBUSTION AND FLAME
(2023)
Article
Chemistry, Physical
Ziyu Wang, Chao Yan, Bowen Mei, Ying Lin, Yiguang Ju
Summary: This study investigates the oxidation of diethyl ether (DEE) under low-temperature and ultra-high-pressure conditions. The experimental data shows that DEE exhibits unusual low-temperature oxidation behavior with two negative temperature coefficient (NTC) zones. Increasing the pressure stabilizes RO2 and promotes HO2 chemistry, resulting in weaker NTC zones. The existing DEE model is updated to improve the predictability of key species, especially at intermediate temperature.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Thermodynamics
Adam J. Susa, Ronald K. Hanson
Summary: This paper reports simultaneous schlieren and emission imaging through the side wall of a round shock tube for experimental autoignition studies. Autoignition experiments are conducted for non-dilute propane-oxygen-argon mixtures at elevated temperatures and pressures. The results show the importance of experimental design and provide valuable data for understanding autoignition processes.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2023)
Article
Energy & Fuels
James M. Harman-Thomas, Touqeer Anwar Kashif, Kevin J. Hughes, Mohamed Pourkashanian, Aamir Farooq
Summary: Experimental data on ignition delay times (IDTs) of syngas in CO2 diluted conditions were obtained. It was found that the reaction of CO2 and H to form CO and OH caused the separation of H2 and CO ignition, increasing the complexity of determining the IDTs. A method to determine simulated IDTs was proposed for effective comparison with experimental data.
Article
Energy & Fuels
James M. Harman-Thomas, Touqeer Anwar Kashif, Kevin J. Hughes, Mohamed Pourkashanian, Aamir Farooq
Summary: In this study, the ignition delay times of hydrogen in a high concentration of CO2 bath gas were measured, and two chemical kinetic mechanisms were compared. The results showed that the UoS sCO2 2.0 mechanism outperformed AramcoMech 2.0 in simulating hydrogen ignition delay times in CO2 bath gas. Further validation should focus on the importance of OH time-histories.
Article
Engineering, Mechanical
Charles L. Keesee, Bing Guo, Eric L. Petersen
Summary: New laminar flame speed experiments have been conducted for kerosene-based liquid fuels, such as Jet-A, RP-1, and diesel fuel #2, in order to accurately understand their combustion characteristics. Fuel mole fraction is shown to be a more suitable parameter for comparison between different batches of fuel due to uncertainties in the precise composition of these fuels.
JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME
(2021)
Article
Optics
Sulaiman A. Alturaifi, Eric L. Petersen
Summary: Scanning-wavelength laser absorption measurements were conducted to determine line strengths and broadening coefficients of ammonia transitions in the Q-branch of the v(2) fundamental band. The spectroscopic parameters obtained are useful for developing NH3 detection sensors, especially for high-temperature applications.
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
(2021)
Article
Thermodynamics
Andrew J. Tykol, F. A. Rodriguez, J. C. Thomas, E. L. Petersen
Summary: This study evaluated the effects of nano- and micro-sized metal oxides on the combustion of automotive airbag gas generant systems, with micro-ceria observed as the only additive that enhanced the burning rate.
COMBUSTION SCIENCE AND TECHNOLOGY
(2022)
Article
Engineering, Aerospace
James C. Thomas, Eric L. Petersen
Summary: A survey of literature and thermochemical databases revealed wide ranges in the thermochemical properties of hydroxyl-terminated polybutadiene (HTPB), particularly the heat of formation. Six group additive schemes were used to estimate the heat of formation of HTPB and predict decreases due to increased hydroxyl functionality and curing reactions. Chemical equilibrium analyses showed that variations in the heat of formation of HTPB can impact combustion gas properties and theoretical propellant performance within practical operating conditions.
Article
Thermodynamics
James C. Thomas, Felix A. Rodriguez, Eric L. Petersen
Summary: This study evaluates the effects of various metal additives on the performance of hybrid rockets and finds that the inclusion of metal additives can reduce the regression rate without significantly affecting the combustion efficiency. Among the additives, zirconium is the best choice. Additionally, the combustion efficiency is well correlated with the combustion residence time.
COMBUSTION SCIENCE AND TECHNOLOGY
(2023)
Article
Energy & Fuels
Olivier Mathieu, Claire M. Gregoire, Mattias A. Turner, Darryl J. Mohr, Sulaiman A. Alturaifi, James C. Thomas, Eric L. Petersen
Summary: Through experiments and numerical analysis, it was found that modern detailed kinetics mechanisms can accurately predict the combustion properties of thermal runaway gases from a lithium-ion battery.
Article
Chemistry, Physical
Cassio Brunoro Ahumada, M. Sam Mannan, Qingsheng Wang, Eric L. Petersen
Summary: Experiments were conducted to investigate the detonation onset behind solid obstructions with uneven blockage ratio and opening shape. The study found that the geometric features of the second obstruction, including the opening shape, blockage ratio, and opening dimension, have varying effects on the detonation onset time and obstacle-induced shock strength. The critical conditions for detonation initiation were found to be correlated with the blockage ratio and effective opening dimension. The Taguchi analysis revealed that the blockage ratio of the second obstacle is the most influential factor for early detonation onset, while the shape and opening dimension have minor effects. This study emphasizes the importance of considering the blockage ratio pattern for overpressure estimation during gaseous explosions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Mechanics
J. C. Thomas, F. A. Rodriguez, D. S. Teitge, L. N. Kunka, G. N. Gaddis, Z. K. Browne, C. B. Ahumada, E. T. Balci, S. Jackson, E. L. Petersen, E. S. Oran
Summary: This paper describes an experimental evaluation of shock wave transmission from a detonating gas mixture in an open-ended tube into an inert atmosphere. The results show the successful deflagration-to-detonation transition and the formation of a transmitted shock wave. The study also characterizes the transmission of the shock wave into the surrounding environment and the conditions behind the transmitted shock wave.
Article
Energy & Fuels
Claire M. Gregoire, Charles K. Westbrook, Olivier Mathieu, Sean P. Cooper, Sulaiman A. Alturaifi, Eric L. Petersen
Summary: This study presents the kinetic treatment of the full group of C5 olefins and investigates the impact of C=C double bond position and branching on combustion properties through experimental measurements and numerical predictions. The results show noticeable differences between different isomers and provide insights into the combustion behavior of pentene isomers.
Article
Energy & Fuels
Claire M. Gregoire, Sean P. Cooper, Eric L. Petersen
Summary: Toluene oxidation was investigated using laser diagnostics to measure carbon monoxide and water profiles. The results are important for validating chemical kinetics mechanisms under highly dilute conditions.
Article
Chemistry, Physical
Claire M. Gregoire, Charles K. Westbrook, Sean P. Cooper, Mattias A. Turner, Sulaiman A. Alturaifi, Olivier Mathieu, Eric L. Petersen
Summary: The combustion properties of a gasoline-like blend of pentene isomers were investigated using various experimental measurements. Laminar flame speeds and ignition delay times were analyzed, along with CO time-history profiles. Numerical predictions using a validated chemical kinetics mechanism were presented, showing excellent results in modeling pentene-isomer combustion chemistry.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Damien Nativel, Can Shao, Sean P. Cooper, Eric L. Petersen, Christof Schulz, Mustapha Fikri, Sebastian Peukert
Summary: The influence of methanol and butanol on soot formation during the pyrolysis of a toluene primary reference fuel mixture was investigated. It was found that soot formed during the pyrolysis is primarily caused by the thermal decomposition of toluene. Adding methanol results in a slight reduction of soot formation, while adding butanol shifts the soot formation to higher temperatures without overall reduction.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Engineering, Aerospace
Felix A. Rodriguez, James C. Thomas, Thomas E. Sammet, David S. Teitge, Eric L. Petersen
Summary: Ammonium perchlorate (AP) is a commonly used oxidizer in composite propellants, and its combustion behavior can be controlled by micro- and nano-metal oxide catalysts. The study found that micro-iron oxide increased the burning rate of AP within a certain pressure range, while nano-titanium oxide and nano-iron oxide increased the burning rate at higher pressures. The presence of catalytic additives eliminated the negative slope typically observed in the burning rate curve of plain AP, and nano-additive formulations showed higher low-pressure deflagration limits.
JOURNAL OF PROPULSION AND POWER
(2022)
Article
Thermodynamics
Mattias A. Turner, Pradeep Parajuli, Waruna D. Kulatilaka, Eric L. Petersen
Summary: In this study, chemiluminescence spectra of atmospheric-pressure flames doped with phosphorus-containing compounds were analyzed. The intensity of the doped flame emission increased relative to the neat flames, but no clear spectral features were identified. The observed continuum emission is attributed to blackbody emission from high-temperature soot particles.
JOURNAL OF THERMOPHYSICS AND HEAT TRANSFER
(2022)
Article
Engineering, Aerospace
Catherine A. M. Dillier, Erica D. Petersen, Thomas Sammet, Eric L. Petersen
Summary: This study focuses on the roles of aluminum and ammonium perchlorate in ammonium perchlorate/R45-M hydroxyl-terminated polybutadiene composite propellants. Through testing various formulations at high pressures, it was found that the particle size, distribution, and aluminum concentration significantly affect the propellant's performance.
JOURNAL OF PROPULSION AND POWER
(2021)
Article
Thermodynamics
Yifan Yang, Haodong Zhang, Linye Li, Mingming Gu, Xi Xia, Fei Qi
Summary: This paper investigates the formation of a blue whirl by controlling tangential and radial airflows. By using a unique fire whirl apparatus, the blue whirl can be formed directly upon ignition without going through the transient phase. The study also discovers new flame regimes and explores the mechanism behind the formation and transition of the blue whirl.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Xiaobin Qi, Songyan Gao, Zhiping Zhu, Qinggang Lyu, Haixia Zhang
Summary: This study experimentally investigated the propagation characteristics of reverse combustion under oxygen-limited and enriched conditions. The contribution of volatiles gas-phase oxidation and char surface oxidation to reverse combustion was evaluated. The results showed that oxygen enrichment expanded the operating range of oxygen flow rate for reverse combustion and enhanced the low-temperature oxidation of the solid fuel. The findings provide a better understanding of the driving mechanism of reverse combustion and have important implications for efficient thermal conversion of solid fuels.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Bingjie Chen, Peng Liu, Bingzhi Liu, Zhandong Wang, Xiang Gao, William L. Roberts
Summary: In this study, the low temperature oxidation of 1,2,4-trimethylbenzene was investigated using experiments and numerical simulations. The results showed the presence of toxic oxygenated aromatic compounds and proposed potential formation pathways. The numerical simulations accurately predicted the mole fractions of most compounds, but some compounds were missing.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Meng Sui, Zhiheng Zhu, Fashe Li, Hua Wang
Summary: The effect of adding ferrocene as a combustion catalyst to Jatropha biodiesel on its pyrolysis and combustion performance is investigated. The results show that adding ferrocene reduces activation energy and harmful emissions while improving combustion efficiency.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Manaf Sheyyab, Mohammed Abdulrahman, Subharaj Hossain, Patrick T. Lynch, Eric K. Mayhew, Kenneth Brezinsky
Summary: Fuel surrogates, simplified representations of complex fuels, accurately model speciation results and reaction kinetics, reproduce the ignition quality and chemical functional group compositions of their parent fuels.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Yan Wang, Shumeng Xie, Hannes Bottler, Yiqing Wang, Xinyi Chen, Arne Scholtissek, Christian Hasse, Zheng Chen
Summary: This study investigates how flow affects the ignition and transition process of a cool flame. The results show that the ignition energy determines the highest temperature and the strain rate influences the flame propagation and the transition from cool flame to hot flame.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Tanusree Chatterjee, Mengyuan Wang, Goutham Kukkadapu, Chih-Jen Sung, William J. Pitz
Summary: Cycloalkanes, including cyclohexane, are important hydrocarbons in transportation fuels. However, limited oxidation data at low-to-intermediate temperatures and inadequate predictive ability of kinetic models have hindered the understanding and improvement of cyclohexane oxidation. This study provides experimental and modeling results to develop a more accurate kinetic model for cyclohexane oxidation.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Tao Wu, Erik Hagen, Haiyang Wang, Dylan J. Kline, Michael R. Zachariah, Carole Rossi
Summary: It was found that incorporating CuO into Al/I2O5 can significantly reduce the ignition time and enhance the combustion performance. The optimum composition of 80/20 wt% of I2O5/CuO shows a 30 times shorter ignition time and produces a peak pressure and pressurization rate 4 and 26 times greater than traditional Al/I2O5. A series of characterizations helped unravel the cause of improvement and propose a reaction mechanism for this ternary Al/I2O5/CuO system. This study proposes a facile, inexpensive, and efficient way to enhance the combustion performance of Al/I2O5 biocidal nanoenergetic materials.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Mahmoud Gadalla, Shervin Karimkashi, Islam Kabil, Ossi Kaario, Tianfeng Lu, Ville Vuorinen
Summary: In this study, the flame initiation process in dual-fuel spray assisted combustion is explored through scale-resolved simulations, providing numerical evidence on the initiation of premixed flames. It is found that there is a transient mixed-mode combustion phase after ignition, followed by a primarily deflagrative combustion mode. The interactions between turbulence and premixed flame front are characterized in the corrugated regime.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Neeraj Kumar Pradhan, Arindrajit Chowdhury, Debasis Chakraborty, Neeraj Kumbhakarna
Summary: In this study, a modified model for predicting the burn rate of composite solid propellants is proposed. The model has been validated against experimental and theoretical results, and it outperforms existing models in all cases considered. The model is highly robust and provides results quickly, making it highly efficient in terms of time, effort, and computational resources.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Lili Ye, Zhihe Zhang, Fan Wang, Xiaodong Wang, Yiming Lu, Lei Zhang
Summary: This study investigated the pyrolysis mechanism of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) explosive using ab initio and kinetic modeling simulations. The results showed that N-NO2 bond fission and C-H beta-scission are important channels in the decomposition of HMX.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Andrei N. Lipatnikov, Hsuchew Lee, Peng Dai, Minping Wan, Vladimir A. Sabelnikov
Summary: This study investigates the importance of thermodiffusive and hydrodynamic instabilities of laminar flames in turbulent flows through numerical simulations. The analysis suggests that laminar flame instabilities play a minor role at sufficiently high Karlovitz numbers.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Shijie Xu, Yue Qiu, Leilei Xu, Jianqing Huang, Shen Li, Elna J. K. Nilsson, Zhongshan Li, Weiwei Cai, Marcus Alden, Xue-Song Bai
Summary: Metal powder is a promising carbon-free and recyclable energy carrier. In this study, a computational model for the combustion and phase change of micron-sized iron particles was proposed and validated. The model successfully captures the melting, surface reactions, cooling, and solidification processes. The study also reveals a two-stage solidification phenomenon and identifies a diffusion-controlled mechanism during the melting process. The reaction between iron and CH4/O2/N2 flame products is found to play a significant role in the iron combustion process.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Khalid Aljohani, Abd El-Sabor Mohamed, Haitao Lu, Henry J. Curran, S. Mani Sarathy, Aamir Farooq
Summary: This study investigates the impact of exhaust gas recirculation (EGR) and NOx on the ignition delay time of oxygenated gasoline. A gasoline surrogate model is developed and the experimental data are useful for predicting fuel ignition behavior in internal combustion engines. The results show that EGR inhibits gasoline reactivity, while NOx has a promoting effect at high temperatures. This research is important for understanding the combustion behavior of gasoline in engines.
COMBUSTION AND FLAME
(2024)
Article
Thermodynamics
Chengcheng Ao, Jia Yan, Tong Yan, Lidong Zhang, Pan Wang
Summary: This study investigates the inhibitory effect of ammonia blended with hydrocarbon fuels on soot formation. The results show that there is a chemical interaction between ammonia and polycyclic aromatic hydrocarbons (PAHs), blocking the formation of larger PAHs.
COMBUSTION AND FLAME
(2024)
