Article
Engineering, Chemical
Domnina Razus, Venera Giurcan, Codina Movileanu, Maria Mitu
Summary: A computational study was conducted to investigate the effect of adding nitrogen to hydrogen-nitrous oxide flames at different initial pressures and temperatures. The results showed that increasing the initial pressure and temperature led to higher mass fractions of NO and flame temperature.
Article
Chemistry, Multidisciplinary
Pablo Molinillo, Bertrand Lacroix, Florencia Vattier, Nuria Rendon, Andres Suarez, Patricia Lara
Summary: In this study, it was found that RuSNS nanoparticles can catalyze the reduction of the greenhouse gas N2O to N-2 using different hydrosilanes.
CHEMICAL COMMUNICATIONS
(2022)
Article
Thermodynamics
Clayton R. Mulvihill, Sulaiman A. Alturaifi, Eric L. Petersen
Summary: This study measured the low-pressure limit rate constant of the N2O + M reaction using laser absorption spectroscopy and analyzed the results with excellent agreement with historical data. The determined expression for the rate constant showed better stability and precision over a wide temperature range.
COMBUSTION AND FLAME
(2021)
Article
Chemistry, Physical
Yan Lyu, Jiao Dong, Tian-tian Tang
Summary: This study experimentally investigated the explosion characteristics of H2-N2O mixture under different equivalence ratios and found that the introduction of orifice plates had different effects on the maximum explosion pressure and pressure rise rate under different combustion conditions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Engineering, Environmental
Lu-Qing Wang, Dai-Guo Chen, Hong-Hao Ma
Summary: The laminar burning velocity and cellular instabilities of premixed flame in H2-N2O mixtures were experimentally studied at different equivalence ratios and initial pressures. It was found that both the laminar burning velocity and Markstein length increase with the equivalence ratio. The most unstable flames were observed at phi= 0.4-0.6 due to the combined effects of thermal-diffusion and hydrodynamic instabilities. At lower initial pressure, the flame front is smooth, while at higher initial pressure, diffusion-thermal and hydrodynamic instabilities dominate the cellular structure of the flame front.
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
(2023)
Article
Engineering, Chemical
Venera Giurcan, Maria Mitu, Codina Movileanu, Domnina Razus
Summary: This study investigates the effects of initial pressure on laminar burning velocities of diluted methane-nitrous oxide mixtures through experiments and numerical simulations, and determines the corresponding parameters.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Acoustics
Yuan Cao, Ruifeng Wang, Jie Peng, Kun Liu, Weidong Chen, Guishi Wang, Xiaoming Gao
Summary: A high-sensitivity N2O photoacoustic sensor was developed using a 4.53 μm quantum cascade laser, which showed improved signal enhancement with the addition of 2.3% water vapor. The sensor achieved a minimum detection limit of 28 ppbv and a measurement precision of 34 ppbv, and utilized Kalman adaptive filtering to improve measurement precision by 2.3 times without sacrificing time resolution. Continuous measurements over 7 hours demonstrated the sensor's capabilities in monitoring atmospheric N2O concentrations.
Article
Thermodynamics
Ting Li, Lu-Qing Wang, Hong-Hao Ma, Jun Pan, Rui Liu, Zhao-Wu Shen, Shi-Yu Feng
Summary: This study investigated the explosion characteristics of hydrogen-methane-nitrous oxide mixtures with different equivalence ratios. The results showed that explosions caused by nitrous oxide have the potential for deflagration to detonation transition. The addition of methane increased the peak values of the maximum explosion pressure and the maximum pressure rise rate.
COMBUSTION SCIENCE AND TECHNOLOGY
(2022)
Article
Agronomy
Jordi T. Francis Clar, Robert P. Anex
Summary: Analysis of N2O isotope ratios is important for understanding N2O production pathways in soils and developing mitigation strategies. Measurement systems combining LAS instruments with automatic soil flux chambers can provide direct in situ N2O flux and high-resolution isotope ratio measurements. However, accurate interpretation of these measurements requires quantification of measurement accuracy at high sampling rates.
AGRICULTURAL AND FOREST METEOROLOGY
(2022)
Article
Chemistry, Multidisciplinary
Aniruddha Dey, Jesse B. Gordon, Therese Albert, Sinan Sabuncu, Maxime A. Siegler, Samantha N. MacMillan, Kyle M. Lancaster, Pierre Moenne-Loccoz, David P. Goldberg
Summary: A new nonheme iron(II) complex was reported, which reacts with NO(g) to form a stable mononitrosyl complex. The mononitrosyl complex exhibits highly activated characteristics and can rapidly convert to N2O in the absence of an exogenous reductant.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Environmental Sciences
Dengzhou Gao, Lijun Hou, Min Liu, Yanling Zheng, Guoyu Yin, Yuhui Niu
Summary: Studying N2O production and consumption processes along an intertidal elevation gradient can improve the understanding of N2O dynamics among coastal wetlands. The results showed that N2O emission rates were higher in high tidal zones compared to middle and low tidal zones. Gross N2O production and consumption rates were greater in high and low tidal zones, whereas N2O consumption proportions generally increased from high to low tidal zones. Bacterial denitrification was the dominant pathway, although NH2OH oxidation/fungal denitrification also contributed substantially to N2O production in high tidal flats. Changes in N2O dynamics along the elevation gradient were affected by carbon and nitrogen substrate availabilities as well as the redox environments.
ENVIRONMENTAL RESEARCH
(2022)
Article
Agronomy
Jinmei Zhong, Yaqi Song, Man Yang, Wei Wang, Zhaohua Li, Liya Zhao, Kun Li, Ling Wang
Summary: Paddy fields are significant sources of N2O emissions due to frequent fluctuations in soil water content. The contribution of N2O uptake to the reduction in net N2O emission varies with water content and is influenced by physicochemical factors and microbial regulatory mechanisms. However, the specific impact of these factors on N2O uptake in paddy soil remains largely unknown.
AGRICULTURAL WATER MANAGEMENT
(2023)
Article
Ecology
Xin Sun, Amal Jayakumar, John C. Tracey, Elizabeth Wallace, Colette L. Kelly, Karen L. Casciotti, Bess B. Ward
Summary: The study expands N2O consumption measurements from anoxic zones to oxic waters, revealing differences in the characteristics of N2O-consuming microbes. Experimental results suggest that microbes in the dynamic layer with steep oxygen and N2O gradients above the oxygen deficient zone play a significant role in N2O consumption.
Article
Agronomy
Jun Li, Zhengyue Xue, Yue Li, Guangyu Bo, Fengjiao Shen, Xiaoming Gao, Jian Zhang, Tu Tan
Summary: High-precision observations using LHRs were conducted to calculate greenhouse gas emissions from agricultural fields. The measurements showed that CO2, CH4, and N2O emissions from rice paddy fields had specific trends and responses to different agricultural practices. LHRs demonstrated high accuracy in monitoring atmospheric concentrations and have potential applications in monitoring emissions from rice paddy fields.
Article
Biodiversity Conservation
Huanhuan Wei, Xiaotong Song, Yan Liu, Rui Wang, Xunhua Zheng, Klaus Butterbach-Bahl, Rodney T. Venterea, Di Wu, Xiaotang Ju
Summary: Oxygen dynamics play a key role in controlling nitrous oxide (N2O) production processes in arable soils. Bacterial denitrification is the primary source of N2O emissions during the hot-wet summer, while nitrification or fungal denitrification contribute to about 50.0% of total emissions during the cold-dry winter. The findings help improve process models and develop targeted mitigation measures for N2O emissions.
GLOBAL CHANGE BIOLOGY
(2023)
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
Thermodynamics
Sean P. Cooper, Paul Marshall, Olivier Mathieu, Laura T. Pinzon, Clayton R. Mulvihill, Peter Glarborg, Eric L. Petersen
Summary: In this study, the combustion chemistry of H2S was investigated by using N2O as an oxidant. The water formation reaction was followed by laser absorption, and the results confirmed the accuracy of the H2S combustion model.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2023)
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
Thermodynamics
Claire M. Gregoire, Eric L. Petersen, Olivier Mathieu
Summary: This study investigates the pyrolysis of ethylene carbonate and evaluates the performance of an existing chemical kinetics mechanism. A tentative model is proposed to improve predictions, highlighting the need for further research.
COMBUSTION AND FLAME
(2023)
Article
Energy & Fuels
Matthew G. Sandberg, Claire M. Gregoire, Darryl J. Mohr, Olivier Mathieu, Eric L. Petersen
Summary: This study investigates the effect of norbornadiene (NBD) as a fuel additive on ignition delay times of hydrogen and methane mixtures. The results show that NBD can significantly decrease the ignition delay time for methane, but dramatically increase it for hydrogen reactions.
Article
Chemistry, Physical
Clayton R. Mulvihill, Yuri Georgievskii, Stephen J. Klippenstein
Summary: This paper investigates the quantitative descriptions of non-adiabatic transition rates at intermediate temperatures, focusing on the interplay between quantum effects and anharmonicity in the seam potential. The findings highlight the importance of quantum effects and anharmonicity in non-adiabatic reactions at intermediate temperatures.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Stephen J. Klippenstein, Clayton R. Mulvihill, Peter Glarborg
Summary: This study provides high-level theoretical kinetics predictions for NH2 + O reactions, which are important for predicting the chain branching and formation of NO in the oxidation of NH3 and thermal DeNO(x).
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
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)