Detailed Chemical Kinetic Models for Nanothermites Combustion

Catoire, L.

doi:10.1002/prep.201800115

Cited by 7 publications

(4 citation statements)

References 28 publications

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“…The Tammann temperature acquires significance due to the propensity of materials to exhibit an augmented susceptibility towards accidental ignition initiation at or beyond this temperature. Consequently, comprehending the Tammann temperature emerges as a pivotal consideration for elucidating the behavior of nano-Al/Fe 2 O 3 -KClO 3 compositions, particularly within the domains of thermochemistry and chemical kinetics [155], wherein the temperature-dependent reactivity profiles and reaction dynamics are of paramount importance.…”

Section: Thermal Run-away and Heat Transfermentioning

confidence: 99%

“…The Tammann temperature plays a significant role in determining the thermal stability and reactivity of Al/Fe 2 O 3 -KClO 3 compositions, attributes that acquire paramount importance for their deployment across practical applications [155]. The Tammann temperature manifests a significant impact on the combustion behavior, wherein the heat transfer mechanisms driving the combustion process emerge as critical considerations within this context [156].…”

Section: Thermal Run-away and Heat Transfermentioning

confidence: 99%

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Hot Bridge-Wire Ignition of Nanocomposite Aluminum Thermite Synthesized Using Sol-Gel-Derived Aerogel with Tailored Properties for Enhanced Reactivity and Reduced Sensitivity

Ghedjatti,

Yuan,

Wang

2024

Energies

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The development of nano-energetic materials has significantly advanced, leading to enhanced properties and novel applications in areas such as aerospace, defense, energy storage, and automobile. This research aims to engineer multi-dimensional nano-energetic material systems with precise control over energy release rates, spatial distribution, and temporal and pressure history. In this context, sol–gel processing has been explored for the manufacture of nanocomposite aluminum thermites using aerogels. The goal is to produce nano-thermites (Al/Fe2O3) with fast energy release rates that are insensitive to unintended initiation while demonstrating the potential of sol–gel-derived aerogels in terms of versatility, tailored properties, and compatibility. The findings provide insightful conclusions on the influence of factors such as secondary oxidizers (KClO3) and dispersants (n-hexane and acetone) on the reaction kinetics and the sensitivity, playing crucial roles in determining reactivity and combustion performance. In tandem, ignition systems contribute significantly in terms of a high degree of reliability and speed. However, the advantages of using nano-thermites combined with hot bridge-wire systems in terms of ignition and combustion efficiency for potential, practical applications are not well-documented in the literature. Thus, this research also highlights the practicality along with safety and simplicity of use, making nano-Al/Fe2O3-KClO3 in combination with hot bridge-wire ignition a suitable choice for experimental purposes and beyond.

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Section: Thermal Run-away and Heat Transfermentioning

confidence: 99%

Section: Thermal Run-away and Heat Transfermentioning

confidence: 99%

Hot Bridge-Wire Ignition of Nanocomposite Aluminum Thermite Synthesized Using Sol-Gel-Derived Aerogel with Tailored Properties for Enhanced Reactivity and Reduced Sensitivity

Ghedjatti,

Yuan,

Wang

2024

Energies

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“…Further speaking, the underlying reaction mechanisms at the atomic level remain unclear. Clearly, it is difficult to measure experimentally the details of such the rapidly high-temperature reactions [15]. This shows that theoretical simulations are very important and necessary in understanding the reaction mechanism.…”

Section: Introductionmentioning

confidence: 99%

Reaction mechanism of core–shell Al@SiO₂ nanoparticles from molecular dynamics simulations

Zhang¹,

Wang²,

Yu³

et al. 2022

Modelling Simul. Mater. Sci. Eng.

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Nanothermites play an important roles in both civil and military fields. In this paper, using molecular dynamics simulations with reactive force field (ReaxFF), we study the thermally induced reactions of core-shell Al@SiO2 nanoparticles to elucidate the underlying reaction mechanism between Al and a metallic oxide. Core-shell Al@SiO2 nanoparticles undergo a four-stage explosive reaction after being heated to the ignition temperature. They are, in sequence: (i) Heat is released from the core-shell interface to Al core, and Al core begins to melt. (ii) The melted Al core accelerates the redox exothermic reaction, producing a pure Si shell. (iii) The Si shell moves towards the center of the system under electric field induction, and the distorted AlnO (n = 4, 5) clusters are ejected from the system’s surface. (iv) The detonation of the nanoparticles, and the formation of final products. Notably, the electric-field-induced Al atoms diffuse faster than the O atoms throughout the reaction. Our findings provide a reference guide for the reactions of nanothermites

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“…There is not even a consensus of measurement as it is difficult to measure experimentally the mechanism involved in such a fast and high-temperature reaction [21]. Also, experimental data of chemical kinetics and thermodynamics for metals or metal-containing compounds are scarce in literature [22], which makes it difficult to propose a detailed kinetic model for a thermite reaction, since experimental data is needed to build and validate a modeled chemical kinetic mechanism. Therefore, much experimental and theoretical research is still required to provide a more predictive model.…”

Section: Introductionmentioning

confidence: 99%

Detailed Numerical Modeling and Simulation of Fe₂O₃−Al Thermite Reaction

Souza

Lemos

2021

Propellants Explo Pyrotec

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A thermite reaction is a self-propagating exothermic reaction with many practical applications in welding processes, material synthesis, pyrotechnic and initiator technologies. Motivated by the above-mentioned, the present study involves modeling and simulation of common hematite-aluminum thermite reaction with the aim of predicting temperature levels and radial burning speeds in a thin disk ignited at the center. Balance equations of species and energy conservation were solved in one dimension space by applying a finite difference method, considering no species transport and a one-step mechanism. The Arrhenius equation was adopted to model the kinetics rate. Phase change and temperature dependence of the thermochemical properties were also considered. Analyses of spatial and temporal meshes revealed that numerical results were independent of the grid used. Predictions show that the ignition procedure affects the formation of the reaction-front, higher temperatures, and longer ignition zones can start the self-sustained reaction earlier. However, once the reaction wave is established, its velocity and peak temperature are the same, independent of the initial temperature profile. Simulations herein also show that an increase of the activation energy and decrease of the pre-exponential factor slows down the reaction speed considerably, impacting on accurate prediction of reactionwave velocity. Further, the activation energy influences the burning velocity much more drastically than the pre-exponential factor. The maximum temperature observed in the model is around the melting temperature of alumina (2327 K), which is in agreement with the experimental results reported in the literature.

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Detailed Chemical Kinetic Models for Nanothermites Combustion

Abstract: The development of nanothermites and the understanding of their behaviors need several improvements in many domains including thermochemistry and chemical kinetics. In this paper a brief state of the art is presented in these fields and possible approaches are presented.

Cited by 7 publications

References 28 publications

Hot Bridge-Wire Ignition of Nanocomposite Aluminum Thermite Synthesized Using Sol-Gel-Derived Aerogel with Tailored Properties for Enhanced Reactivity and Reduced Sensitivity

Hot Bridge-Wire Ignition of Nanocomposite Aluminum Thermite Synthesized Using Sol-Gel-Derived Aerogel with Tailored Properties for Enhanced Reactivity and Reduced Sensitivity

Reaction mechanism of core–shell Al@SiO₂ nanoparticles from molecular dynamics simulations

Detailed Numerical Modeling and Simulation of Fe₂O₃−Al Thermite Reaction

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Detailed Chemical Kinetic Models for Nanothermites Combustion

Abstract: The development of nanothermites and the understanding of their behaviors need several improvements in many domains including thermochemistry and chemical kinetics. In this paper a brief state of the art is presented in these fields and possible approaches are presented.

Cited by 7 publications

References 28 publications

Hot Bridge-Wire Ignition of Nanocomposite Aluminum Thermite Synthesized Using Sol-Gel-Derived Aerogel with Tailored Properties for Enhanced Reactivity and Reduced Sensitivity

Hot Bridge-Wire Ignition of Nanocomposite Aluminum Thermite Synthesized Using Sol-Gel-Derived Aerogel with Tailored Properties for Enhanced Reactivity and Reduced Sensitivity

Reaction mechanism of core–shell Al@SiO2 nanoparticles from molecular dynamics simulations

Detailed Numerical Modeling and Simulation of Fe2O3−Al Thermite Reaction

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Product

Resources

About

Reaction mechanism of core–shell Al@SiO₂ nanoparticles from molecular dynamics simulations

Detailed Numerical Modeling and Simulation of Fe₂O₃−Al Thermite Reaction