Review
Thermodynamics
Wei-Qiang Pang, Richard A. Yetter, Luigi T. DeLuca, Vladimir Zarko, Alon Gany, Xiao-Hong Zhang
Summary: Metal fuels with high energy densities are attractive for solid/hybrid rocket propulsion and energy-conversion applications. Boron powder is an ideal fuel candidate due to its high gravimetric and volumetric heats of combustion. However, amorphous boron has drawbacks of high ignition temperatures and incomplete combustion. Thus, there is growing interest in using boron-based composite energetic materials. This review provides a comprehensive overview of the preparation, combustion, and applications of boron-based composite energetic materials, and discusses the future challenges in the field.
PROGRESS IN ENERGY AND COMBUSTION SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Liqiong Luo, Wenjia Hao, Bo Jin, Zhicheng Guo, Jinkun Guo, Quancheng Liu, Hu Deng, Rufang Peng
Summary: The design and construction of high-dimensional energetic metal organic frameworks (EMOFs) offer a promising approach to achieve a balance between stability and energetic performance. In this study, a 3D EMOF [Pb3(BTT)2]n was successfully explored and characterized. It exhibits high density, excellent stability, and solvent-free properties, as confirmed by single-crystal X-ray diffraction and laser initiation systems.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Engineering, Environmental
Tao Wu, Vidushi Singh, Baptiste Julien, Christophe Tenailleau, Alain Esteve, Carole Rossi
Summary: In this study, the reaction mechanism of nanoTi-based thermite was investigated for the first time. It was found that adding nanoTi into thermite can improve combustion efficiency and lower the ignition temperature. The oxidation of Ti in contact with a strong oxidizer CuO was quantitatively analyzed to establish the mechanisms driving this improvement. The results showed that the Ti/CuO system undergoes a rapid and early oxidation, resulting in the formation and propagation of titania. It was also found that replacing Al with Ti in nanothermites can significantly decrease ignition time and increase burn rate.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Thermodynamics
Yage He, Xianshuang Wang, Yeping Ren, Pengwan Chen, Yugui Yao, Rui Liu, Ruibin Liu
Summary: The Al/PTFE reactive material shows potential applications in defense and military, and its microscopic reaction process has been investigated through laser-induced plasma spectroscopy and high-speed schlieren photographs. Different plasma chemistry and combustion behavior of microscale Al/PTFE from pure Al have been observed, and a qualitative reaction model has been proposed to describe the response and combustion behavior. This study provides support for the application of these insensitive reactive materials in laser ignition.
COMBUSTION AND FLAME
(2023)
Article
Engineering, Environmental
Jagadish Das, Daniel Shem-Tov, Shijie Zhang, Cong-Zhang Gao, Lei Zhang, Chuang Yao, Eli Flaxer, Jorg Stierstorfer, Maximilian Wurzenberger, Igor Rahinov, Michael Gozin
Summary: The chemistry of lead-, azide- and perchlorate-free photosensitive energetic materials is an emerging field of research with wide applications. In this study, new sulfur-containing energetic molecules were designed, synthesized, and their properties were studied. These molecules showed good thermostability and brisance, and one of them exhibited laser igniting properties. Extensive calculations were performed to study the laser ignition mechanism.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Thermodynamics
Kyle E. Uhlenhake, Mateo Gomez, Diane N. Collard, Metin Ornek, Steven F. Son
Summary: Laser ignition of solid propellants is often challenging due to a lack of optical absorptivity, but modified propellants with reactive nano-aluminum and polyvinylidene fluoride additives can enhance absorption and sustain ignition with low-energy laser.
COMBUSTION AND FLAME
(2023)
Article
Thermodynamics
Kyle E. Uhlenhake, Daniel Olsen, Mateo Gomez, Metin Ornek, Min Zhou, Steven F. Son
Summary: Laser or flash excitation provides increased safety and control for energetic systems compared to electrical ignition. Nano aluminum particles combined with a polyvinylidene fluoride binder/oxidizer create a full-density photosensitive material, showing promising results for ignition in practical energetic systems.
COMBUSTION AND FLAME
(2021)
Article
Engineering, Environmental
Kang Xue, Huaiyu Li, Lun Pan, Yiran Liu, Xiangwen Zhang, Ji-Jun Zou
Summary: This study introduces the fabrication of two types of nAl@MOF energetic particles using an in-situ electrostatic self-assembly method, followed by characterization of their thermal properties, ignition, and combustion performances. The results show that nAl@MOF exhibits improved combustion properties with lower ignition delay time, higher peak pressure, and faster pressurization rate compared to conventional nAl particles, indicating a promising strategy for advanced aerospace fuels.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Nanoscience & Nanotechnology
Sang Guk Jeong, Gangaraju Manogna Karthik, Eun Seong Kim, Alireza Zargaran, Soung Yeoul Ahn, Man Jae Sagong, Suk Hoon Kang, Jung-Wook Cho, Hyoung Seop Kim
Summary: This study demonstrates a new method of controlling microstructures through selective laser melting, developing materials with heterogeneous structures and achieving an excellent combination of strength and ductility. The research provides a new direction for producing heterostructured materials with enhanced strength and ductility in metal additive manufacturing.
SCRIPTA MATERIALIA
(2022)
Article
Biochemical Research Methods
Wei Liu, Yongan Feng, Yapeng Yao, Zihang Liang, Fei Xiao, Zhongliang Ma
Summary: This work successfully fabricated MEMS compatible energetic material arrays and composite films and characterized their properties. The results showed that the morphology and composition of the materials can be effectively regulated, and the energetic properties of the composite films can be adjusted. This work provides a reference for integrating energetic materials into MEMS systems.
Article
Biochemical Research Methods
Wei Liu, Yongan Feng, Yapeng Yao, Zihang Liang, Fei Xiao, Zhongliang Ma
Summary: Integrating energetic materials with microelectromechanical systems (MEMS) has potential applications in miniaturized aerospace and explosive systems.
Article
Engineering, Environmental
Zaira Alibay, Dylan J. Kline, Miles C. Rehwoldt, Prithwish Biswas, Steven Herrera, Haiyang Wang, Michael R. Zachariah
Summary: This study investigates spatially localized remote ignition of additively manufactured composites through microwave absorption, finding that ignition delay decreases with increasing power until reaching a saturation region where ignition sensitivity is limited by combustion kinetics. It was discovered that Ti nanoparticles oxidize with O2 at lower temperatures than PVDF fluorination, driving combustion in the process.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Thermodynamics
Luis A. Carbajal-Carrasco, Zakaria Bouali, Arnaud Mura
Summary: A single-step chemistry model has been developed to recover the ignition delays of reactive heterogeneous mixtures, with an optimization procedure applied to key parameters. High activation energy asymptotics have been recalled to highlight the dependence of ignition delay on corresponding quantities. An efficient tabulation method is proposed for composition variables, ensuring the restitution of ignition and propagation features through the consideration of cross-over temperature.
COMBUSTION AND FLAME
(2021)
Article
Chemistry, Multidisciplinary
Wei Du, Pengfei Tang, Bo Yang, Lei Yang, Xiaodong Li, Ming Duan, Shaohua Gou, Qing Ma
Summary: In this research, donor-acceptor & pi;-conjugated energetic catalysts were designed and synthesized. Nonmetallic hybrid energetic composites were prepared by assembling the catalysts into ammonium perchlorate (AP). The study successfully discovered a new ignition mechanism and applied it to other common energetic materials. It provides guidance for the development of metal-free laser-ignitable energetic composites in the field of aerospace engineering.
Article
Engineering, Environmental
Kang Xue, Huaiyu Li, Lun Pan, Chongjun Li, Xiangwen Zhang, Ji-Jun Zou
Summary: Functionalized energetic-microcapsules containing boron nanoparticles uniformly encapsulated in chitosan and dispersed metal catalyst show potential in improving combustion rate and energy output of propellants through microfluidic technology.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Thermodynamics
Siva Kumar Valluri, Mirko Schoenitz, Edward L. Dreizin
Summary: Micron-sized nanocomposite powders containing different metal fluorides were prepared, and their reactions upon heating were studied. Fluorination accelerated oxidation and reduced ignition temperature. The reaction mechanisms varied for different fuels and oxidizers.
COMBUSTION SCIENCE AND TECHNOLOGY
(2023)
Article
Thermodynamics
Elif Irem Senyurt, Edward L. Dreizin
Summary: A simplified heat and mass transfer model is used to predict thermal runaway of burning metal particles in an oxidizing gas. The model takes into account transition transport phenomena important for particles with sizes comparable to the mean free path of gas molecules. Different fuels like aluminum, magnesium, and boron are considered, with varying reaction kinetics and thermal accommodation coefficient values influencing the predicted results.
COMBUSTION AND FLAME
(2022)
Article
Materials Science, Composites
Md Sahid Hassan, Kazi Md Masum Billah, Samuel Ernesto Hall, Sergio Sepulveda, Jaime Eduardo Regis, Cory Marquez, Sergio Cordova, Jasmine Whitaker, Thomas Robison, James Keating, Evgeny Shafirovich, Yirong Lin
Summary: Thermoplastic materials are widely used in SLS 3D printing applications, but their lack of inter-chain bonding results in inferior mechanical and thermal properties. Therefore, the 3D printing of high-performance crosslinked thermosets using SLS technology is important. In this study, a thermoset resin was successfully 3D printed using SLS and its thermal and mechanical stability were improved through post-curing.
JOURNAL OF COMPOSITES SCIENCE
(2022)
Article
Thermodynamics
Sergio Cordova, Kevin Estala-Rodriguez, Evgeny Shafirovich
Summary: The oxidation kinetics of spherical and non-spherical Mg particles in oxygen were investigated in this study. The oxidation process can be modeled as a single-step reaction, with the Avrami-Erofeev model providing the best fit for the experimental thermogravimetric curves. Scanning electron microscopy showed submicron grain formation in the oxidized spherical particles, while slower nucleation in the 30 and 60 µm particles led to sigmoidal thermogravimetric curves.
COMBUSTION AND FLAME
(2022)
Article
Thermodynamics
Sergio Cordova, Kevin Estala-Rodriguez, Evgeny Shafirovich
Summary: Chemical heat integrated power systems offer high energy densities and long lifetimes, making them suitable for space missions. A study on a new concept of such a system combining a metal combustor and a chemical oxygen generator reveals the phenomena of propagation of a thermal wave and reverse ignition caused by infiltration-controlled combustion of metal powders. The experiment shows that coflow combustion can be achieved when a metal with a low Pilling-Bedworth ratio is used.
COMBUSTION AND FLAME
(2022)
Article
Nanoscience & Nanotechnology
Hicham Jabraoui, Alain Esteve, Mirko Schoenitz, Edward L. Dreizin, Carole Rossi
Summary: This theoretical work investigates the influence of nanopores at CuO-Al nanothermite interfaces on the initial stage of thermite reaction using ReaxFF molecular dynamics simulations. The presence of a pore significantly affects the growth kinetics and composition of the alumina layer, impacting the initiation properties of the nanothermite.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Energy & Fuels
Mehnaz Mursalat, Mirko Schoenitz, Edward L. Dreizin
Summary: Spherical boron powders were prepared by ball milling and their combustion performance was compared with irregularly-shaped milled and commercial powders. The results showed that ball milling shifted the onset of boron oxidation to lower temperatures and finer spherical powders exhibited higher initial oxidation rates and combustion activity.
Article
Thermodynamics
Kevin Estala-Rodriguez, Sergio Cordova, Evgeny Shafirovich
Summary: Power systems based on combustion are being explored as an alternative in space missions where solar and nuclear energy are impractical. This study investigates the oxidation and combustion behavior of stabilized lithium metal powder (SLMP) in oxygen and carbon dioxide environments. Thermogravimetric analysis and differential scanning calorimetry were performed, indicating the formation of lithium peroxide and lithium monoxide at different temperatures. Laser ignition experiments were also conducted in a CO2 environment, but self-sustained combustion of SLMP was not achieved due to hindrance from the formed products.
PROCEEDINGS OF THE COMBUSTION INSTITUTE
(2023)
Article
Engineering, Aerospace
Evgeny Shafirovich
JOURNAL OF PROPULSION AND POWER
(2023)
Article
Thermodynamics
Purvam M. Gandhi, Mirko Schoenitz, Edward L. Dreizin
Summary: Metal-oxidizer nanocomposites have gained attention as potential gas-generating energetic materials that can replace or enhance CHNO compounds in certain applications. Experimentalists have used enclosed chambers to ignite metal-based energetic materials and report pressures. However, direct comparison of the reported pressures is difficult due to differences in chamber volume and mass. A parameter proportional to the released energy is proposed to harmonize experimental data, and calculations suggest that some nanothermites and ammonium nitrate-based energetic materials have achieved their theoretical performance levels. Furthermore, the calculations show that ammonium nitrate is a superior oxidizer compared to ammonium perchlorate.
COMBUSTION AND FLAME
(2023)
Article
Chemistry, Multidisciplinary
Ella V. Ivanova, Ashvinkumar Vasudevan, Elif Irem Senyurt, Mirko Schoenitz, Alexei F. Khalizov, Edward L. Dreizin, Gennady Y. Gor
Summary: In this study, experimental measurements and computational predictions were used to determine the surface tension values of DMMP and DIMP. The accuracy of the predictive method was validated by the agreement between the computational predictions and experimental results. Additionally, the surface tension values of sarin were also obtained using this method and compared with literature data. These findings are significant for predicting the formation and evolution of aerosols made of these chemicals.
Article
Materials Science, Composites
Sofia Gabriela Gomez, Andrea Irigoyen, Stephanie Gonzalez, Kevin Estala-Rodriguez, Evgeny Shafirovich, Md Sahid Hassan, Saqlain Zaman, Yirong Lin
Summary: This paper studied the synthesis, fabrication, and characterization of hollow thermoset microspheres for syntactic polymer foam, which are essential in various applications. Hollow polymer microspheres were made by developing core-shell composites and removing the polystyrene core. The contribution of the microspheres to the energy absorption of the syntactic foam was observed through microscopic analysis, and the effects of synthesis parameters and fabrication methods were studied.
JOURNAL OF COMPOSITES SCIENCE
(2023)
Article
Thermodynamics
Purvam Mehulkumar Gandhi, Jonathan McNanna, Mirko Schoenitz, Edward L. Dreizin
Summary: Composite powders of boron and potassium nitrate (PN) with different particle shapes were prepared by milling with and without an emulsion as process control agent. The spherical powders showed more homogeneous mixing between boron and PN. The spherical composite powders exhibited lower ignition temperatures, lower activation energies for ignition, shorter ignition delays, and greater rates of pressure rise compared to irregularly-shaped powders.
COMBUSTION AND FLAME
(2023)
Article
Chemistry, Applied
Siva Kumar Valluri, Lawrence Salvati, Edward L. Dreizin, Dana D. Dlott
Summary: Metal/oxidizer composites have the potential to release more energy than organic explosives, but their slow energy release makes them unsuitable for high-performance explosives. Through arrested reactive milling (ARM), metal composite microparticles with internal pores were produced to facilitate rapid shear mixing of fuel and oxidizer under shock compression. By evaluating the thermal emission and ignition behavior of the composites, it was found that internal porosity can be engineered to increase the chemical reactivity of metal/oxidizer composites.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2023)
Article
Chemistry, Applied
Siva Kumar Valluri, Lawrence Salvati III, Edward L. Dreizin, Dana D. Dlott
Summary: Metal/oxidizer composites are generally not suitable for high-performance explosives due to slow energy release, but internal porosity can be engineered to increase their chemical reactivity under shock.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2023)
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)