Article
Thermodynamics
Qiang Xu, Bingzhi Liu, Weiye Chen, Tongpo Yu, Zunhua Zhang, Cheng Zhang, Lixia Wei, Zhandong Wang
Summary: The study developed a JSR system coupled with SVUV-PIMS and GC analysis, which allows for complementary analysis and cross-checking by different methods to improve the accuracy and fidelity of experimental data. This newly developed experimental method enables simultaneous and comprehensive measurement of fuel low-temperature oxidation products, providing a valuable tool for studying fuel low-temperature oxidation chemistry, revealing species pools, and developing combustion models.
COMBUSTION AND FLAME
(2022)
Article
Thermodynamics
Weiye Chen, Qiang Xu, Hao Lou, Qimei Di, Cheng Xie, Bingzhi Liu, Jiuzhong Yang, Herve Le Gall, L. S. Tran, Xudi Wang, Zongyu Xia, Olivier Herbinet, Frederique Battin-Leclerc, Zhandong Wang
Summary: Low temperature oxidation chemistry is important in the auto-ignition process of internal combustion engines. This study develops a variable pressure jet-stirred reactor (VPJSR) platform and probes intermediates using synchrotron vacuum ultraviolet photoionization mass spectrometry. The setup is validated by repeating experiments and shows good agreement with literature data. The VP-JSR system is valuable for studying fuel chemistry and guiding the development of reaction systems at high pressures.
COMBUSTION AND FLAME
(2022)
Article
Chemistry, Physical
Qihang Zhang, Long Zhu, Zhandong Wang, Yuzhu Liu
Summary: In this study, the photoionization and photodissociation of BrFPh molecules were investigated using VUV synchrotron radiation. The experimental results for the photoionization and dissociation energies of various isomers were in good agreement with theoretical calculations using DFT. This research provides important theoretical support for analyzing the photoionization and dissociative photoionization processes of BrFPh molecules.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Biochemical Research Methods
Diego de O. Rogerio, Reinaldo L. Cavasso-Filho, Alexsandre F. Lago
Summary: The dissociative photoionization dynamics of the chloroacetone molecule in the gas phase induced by VUV synchrotron radiation has been investigated. The appearance energies for relevant cation fragments, fragmentation pathways, and cation species have been analyzed and discussed. In addition, structural and energetic parameters of the cations were examined based on quantum chemical numerical calculations.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Optics
Yujie Zhao, Pei Huang, Li Li, Ke Wang, Haohang Yang, Jianhui Jin, Yuqian Chen, Qi Zeng, Junjie Du, Yibao Liu, Liusi Sheng, Maoqi Cao
Summary: The photoionization and dissociative photoionization of o-xylene were studied using synchrotron radiation vacuum ultraviolet light. The ionization energy and appearance energies of fragment ions were determined, with a detailed mechanism presented for C6H6+ dissociation. Geometries of intermediates, transition states, and products were performed, with discussions on the mechanisms involved.
EUROPEAN PHYSICAL JOURNAL D
(2021)
Article
Chemistry, Physical
Yanbo Li, Weiye Chen, Long Zhu, Huanhuan Wang, Jiwen Guan, Xiaobin Shan, Fuyi Liu, Zhandong Wang
Summary: The study focused on the photoionization and dissociation processes of BVOC MBO232, demonstrating a rare CH3 migration towards the cation. This phenomenon was explained through quantum chemistry calculations and molecular orbital analysis.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Analytical
Yongdi He, Jinou Song, Yuan Zhuang, Jiuzhong Yang, Zhongwei Meng, Qiang Xu
Summary: In this study, the pyrolysis of 1-nitropropane was investigated using synchrotron vacuum ultraviolet photoionization and molecular-beam mass spectrometry. Various species and reaction pathways were identified, providing valuable information for further quantum mechanical calculations and a better understanding of the chemistry involved in 1-NP pyrolysis.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2021)
Article
Chemistry, Analytical
Yongdi He, Jinou Song, Yuan Zhuang, Liang Qiu, Jiuzhong Yang, Qiang Xu
Summary: An experimental study on the pyrolysis of 2-nitropropane was conducted at low pressure, detecting various pyrolysis species and nitrogenous intermediates using VUV photoionization and MBMS techniques. The findings were used to discuss the pyrolysis pathways of 2-NP.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2021)
Article
Chemistry, Physical
Dror M. Bittner, Krishnendu Gope, Ester Livshits, Roi Baer, Daniel Strasser
Summary: In this study, the competing mechanisms involved in the Coulomb explosion of 2-propanol (CH3)(2)CHOH2+ dication formed by an ultrafast extreme ultraviolet pulse were investigated. Over 20 product channels were identified and characterized using 3D coincidence imaging of the ionic fragments. The results indicate a dominant sequential mechanism involving the cleavage of a C-C bond and secondary fragmentation of the hydroxyethyl cation, while C-O bond dissociation channels were less frequent. Exotic structural rearrangements were also observed. The relative yield of H3+ product was found to be suppressed compared to methanol and alkene dications.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Thermodynamics
Jin-Tao Chen, Zhi-Hao Jin, Wang Li, Kai-Ru Jin, Shu-Bao Song, Jiu-Zhong Yang, Zhen-Yu Tian
Summary: The pyrolysis of benzyl alcohol was studied in a flow tube reactor under different pressures, revealing that H-abstraction reactions with H atoms and OH radicals are the main consumption pathway. Various factors affect the pyrolysis and oxidation processes of benzyl alcohol, providing a theoretical basis for further research on combustion chemical kinetics.
COMBUSTION AND FLAME
(2021)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Thermodynamics
Haodong Chen, Ruzheng Zhang, Handong Liao, Feng Zhang, Jiuzhong Yang, Bin Yang
Summary: The present study investigates the chemical kinetics of low-temperature oxidation of propane activated by nanosecond pulsed dielectric barrier discharge in a flow reactor. Molecular beam mass spectrometry with tunable synchrotron vacuum ultraviolet photoionization (SVUV-PIMS) is employed for components identification and quantification. A kinetic model incorporating plasma chemistry and combustion chemistry is developed for plasma-assisted oxidation of propane.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2023)
Article
Thermodynamics
Yixuan Jing, Jintao Cui, Bingzhi Liu, Qingbo Zhu, Qiang Xu, Zhihong Hu, Feiyan Fu, Lili Xing, Zhandong Wang
Summary: Pyrolysis experiments of DMMP were conducted in a JSR coupled to SVUV-PIMS to measure the mole fraction profiles of DMMP and its products. The results showed that DMMP mainly undergoes isomerization channels before decomposing into pyrolysis products, which is different from the literature models. The kinetic model of DMMP was improved by adding newly calculated reactions and their rate constants and updating the rate constants of unimolecular reactions.
COMBUSTION AND FLAME
(2023)
Article
Biochemistry & Molecular Biology
Golbon Rezaei, Giovanni Meloni
Summary: Biofuels have gained attention for their potential in reducing carbon emissions and providing a renewable solution to unsustainable fossil fuels. This study focused on the oxidation of alpha-angelica lactone using synchrotron radiation and identified major reaction products. The research provides insights into possible pathways for the formation of these primary products.
Article
Chemistry, Physical
Min Liu, Marwa Abdelmouleh, Alexandre Giuliani, Laurent Nahon, Jean-Christophe Poully
Summary: Gas-phase UV-VUV spectroscopy enables the analysis of organic molecules without solvent effects or limitations in spectral range. Soft sources like electrospray or laser desorption ionization are alternatives to heating-based methods for studying thermolabile molecules, but ion production occurs. UV-VUV action spectroscopy is therefore the preferred method for studying gas-phase molecular ions. However, previous investigations have shown that the UV-VUV action spectrum of a given molecular ion depends on its charge state. Through this study, we demonstrate the use of charge-tagging action spectroscopy to obtain the UV-VUV photofragmentation spectrum of neutral thermally fragile organic molecules.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Thermodynamics
Sirio Brunialti, Xiaoyuan Zhang, Tiziano Faravelli, Alessio Frassoldati, S. Mani Sarathy
Summary: This work presents a methodology for automatically generating predictive lumped sub-mechanisms for normal and branched alkanes. Detailed sub-mechanisms for alkanes are generated using an updated version of the MAMOX ++ software, incorporating recent progress in low-temperature reaction classes and rate rules. The methodology proposes a new approach to generate lumped sub-mechanisms for fuel molecules by fitting stoichiometric parameters and reaction rates to match those in the detailed model. Validations show that the detailed models capture experimental targets well, while the lumped models perform similarly for normal alkanes but have slightly greater deviations for branched alkanes.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2023)
Article
Thermodynamics
Haitao Lu, Fuqiang Liu, Shashank S. Nagaraja, Shijun Dong, Mattias A. Turner, Olivier Mathieu, Eric L. Petersen, Jesus Caravaca Vilchez, Karl Alexander Heufer, Gang Xu, S. Mani Sarathy, Henry J. Curran
Summary: In order to reduce particulate emissions and improve air quality, it is crucial to understand the formation of polycyclic-aromatic hydrocarbons (PAHs) and their precursors during combustion, particularly for 2-butyne. This study conducted pyrolysis, oxidation, and laminar flame speed experiments for 2-butyne, and developed a comprehensive chemical kinetic model that was validated against experimental data. The research findings identify the key reactions involved in 2-butyne decomposition, ignition, and oxidation, shedding light on the formation mechanisms of PAHs and offering insights for reducing soot emissions.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2023)
Article
Thermodynamics
Tairan Wang, Kiran K. Yalamanchi, Xin Bai, Shuyuan Liu, Yang Li, Bei Qu, Goutham Kukkadapu, S. Mani Sarathy
Summary: This study investigates the thermochemistry of OPAH species and relevant radicals using quantum-chemical calculations. Thermochemical properties for C 5 -C 18 OPAHs were determined at different temperatures, and a accurate thermochemistry database for OPAHs was developed. The existing group additivity method does not apply to OPAHs, and new group additivity values were obtained for larger OPAHs. These thermodynamic properties and group additivity values are crucial for accurate kinetic models for OPAH formation chemistry and emission control.
COMBUSTION AND FLAME
(2023)
Article
Thermodynamics
Khaiyom Hakimov, Yang Li, S. Mani Sarathy, Jihad Badra, Emre Cenker, Aamir Farooq
Summary: Ignition delay times (IDTs) of iso-octane/air mixture were measured at different conditions. The study found that IDTs were longer at lower equivalence ratio and shorter at higher pressures. Existing chemical kinetic models showed notable differences compared to the experimental data at fuel-lean conditions, and modifications were made based on sensitivity analyses to improve model performance.
COMBUSTION AND FLAME
(2023)
Article
Thermodynamics
Yingtao Wu, Xiangdong Kong, Tao Yu, Zhaoming Mai, Shutong Cao, Qingwei Yu, Jinhu Liang, Shashank S. Nagaraja, S. Mani Sarathy, Zuohua Huang, Chenglong Tang
Summary: This study investigates the reactions between Tetramethylethylenediamine (TMEDA) and O2 under ignition conditions. Significant low-temperature reactivity and autoignition of 2% TMEDA/O2 mixtures were observed. Ignition delay times were measured in a rapid compression machine and a high-pressure shock tube, and TMEDA pyrolysis products were obtained in a single pulse shock tube. A hierarchical chemical kinetic model of TMEDA was developed and validated using experimental data, showing good predictions across different conditions.
COMBUSTION AND FLAME
(2023)
Article
Chemistry, Physical
Maximilian Hellmuth, Bingjie Chen, Chaimae Bariki, Liming Cai, Florence Cameron, Alina Wildenberg, Can Huang, Sebastian Faller, Yihua Ren, Joachim Beeckmann, Kai Leonhard, Karl Alexander Heufer, Nils Hansen, Heinz Pitsch
Summary: Bio-hybrid fuels, such as heterocyclic acetals 1,3-dioxane and 1,3-dioxolane, show promise for achieving a carbon-neutral and low-emission future in transportation. Comprehensive experimental and numerical investigations were conducted to understand the combustion chemistry and pollutant formation of these fuels. The results revealed differences in reactivity and pollutant formation between 1,3-dioxane and 1,3-dioxolane, despite their similar molecular structures.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Engineering, Chemical
Yuhang Yu, Sean-Thomas B. Lundin, Keisuke Obata, S. Mani Sarathy, Kazuhiro Takanabe
Summary: A comprehensive microkinetic mechanism for the oxidative coupling of methane (OCM) was developed and verified using a La2O3-CeO2 catalyst. The mechanism accurately predicted the temperature and pressure dependencies of the reaction, providing guidance for achieving high C2-3 yields.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Automation & Control Systems
Khalid Alhazmi, S. Mani Sarathy
Summary: Model-based control is a prevalent technique for engineering systems, but complex systems with changing dynamics require online system identification. This study proposes an algorithm for nonintrusive, online, nonlinear parameter estimation using deep reinforcement learning. The RL-based parameter estimation policy accurately predicts system states with less than 1% error in various conditions. The algorithm is tested on a simulation of selective hydrogenation of acetylene, a highly nonlinear system. (c) 2023 Elsevier Ltd. All rights reserved.
JOURNAL OF PROCESS CONTROL
(2023)
Article
Thermodynamics
Shashank Sakleshpur Nagaraja, S. Mani Sarathy
Summary: Energy production from natural gas has increased globally. Understanding the reactivity of different gas blends is important for the development of fuel-source independent combustors and future engines. An artificial neural network-based model is developed to predict the ignition delay time of natural gas blends, which outperforms multiple linear regression and accurately predicts experimental data.
COMBUSTION SCIENCE AND TECHNOLOGY
(2023)
Article
Electrochemistry
Nicholas R. Cross, Holkan Vazquez-Sanchez, Matthew J. Rau, Serguei N. Lvov, Michael A. Hickner, Christopher A. Gorski, Shashank S. Nagaraja, S. Mani Sarathy, Bruce E. Logan, Derek M. Hall
Summary: In this study, the performance of thermally regenerative batteries (TRBs) was examined with the use of different membranes. It was found that an inexpensive hydrocarbon CEM (Selemion CMVN) had low ammonia crossover and good performance. Additionally, a thin anion exchange membrane (Sustainion) showed high peak power density due to low resistance, but low average power density and energy density due to high ammonia flux. Techno-economic analysis showed that Selemion CMVN had the lowest levelized cost of storage.
ELECTROCHIMICA ACTA
(2023)
Article
Thermodynamics
M. Monge-Palacios, E. Grajales-Gonzalez, S. Mani Sarathy
Summary: This study conducted the first molecular dynamics study of the oxidation of methanol in four supercritical environments, revealing changes in the oxidation chemistry when supercritical CO2 and/or H2O are present. The collision analysis showed that collisions with H2O can efficiently activate methanol for dissociation events. The findings contribute to the development of kinetic models for methanol oxidation/pyrolysis and the implementation of oxy-combustion and hydrothermal combustion techniques.
Review
Energy & Fuels
Thibault F. Guiberti, Giuseppe Pezzella, Akihiro Hayakawa, S. Mani Sarathy
Summary: Ammonia is a molecule that has been crucial to human activities for centuries, widely used in fertilizers, industrial chemicals, and emissions after-treatment systems. Ammonia's properties make it of interest as a hydrogen carrier in energy applications. However, challenges such as low flammability and potential high emissions exist in ammonia combustion. This mini review discusses these challenges and recent state-of-the-art approaches to overcome them.
Article
Chemistry, Physical
Talitha M. Selby, Fabien Goulay, Satchin Soorkia, Amelia Ray, Ahren W. Jasper, Stephen J. Klippenstein, Alexander N. Morozov, Alexander M. Mebel, John D. Savee, Craig A. Taatjes, David L. Osborn
Summary: The reaction mechanism of hydrocarbon ring growth in sooting environments is still a topic of debate. This study focuses on the reaction between phenyl radical and propargyl radical, and investigates the effect of temperature on product formation. Experimental data and theoretical calculations suggest that as temperature increases, additional isomers are formed, potentially due to the contribution of hydrogen atom reactions.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
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
Energy & Fuels
Basem A. Eraqi, Shashank S. Nagaraja, Et-touhami Es-sebbar, S. Mani Sarathy
Summary: This study examines the impact of NO-addition and N-2-dilution on the autoignition process of n-C-10-n-C-14 alkanes, which are crucial components of diesel and kerosene-based jet fuels. The results show that N-2-dilution consistently increases the ignition delay time (IDT) for the tested fuels, while the effect of NO-addition is temperature-dependent. The study provides valuable fundamental combustion data for n-C-10-n-C-14 fuels and fills a gap in the literature. These findings can be utilized by engine researchers to develop more efficient and cleaner combustion engine technologies.
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)