Particle Size Effects on Thermal Decomposition of Energetic Material

Fathollahi, Manoochehr; Pourmortazavi, Seied Mahdi; Hosseini, Seyed Ghorban

doi:10.1080/07370650701719295

Cited by 62 publications

(25 citation statements)

References 34 publications

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“…[138] Of course, lattice stabilization might be a possibility, that is, decomposition occurs does not occur in the lattice, [6] but only after transformation to the liquid state due to the much greater translational freedom it provides. [178] In this case, fusion and breakdown reactions are almost simultaneous and the observation of T fus itself is correct. This behavior can generally not be known a priori; a clear discrimination between melting and decomposition processes can only be done in specialized DSC investigations, however.…”

Section: Outliers and Validationmentioning

confidence: 80%

Is Universal, Simple Melting Point Prediction Possible?

et al. 2011

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An investigation of the melting points of 520 organic 1:1 salts is presented with the aim of developing a universal, simple, physically well-founded prediction scheme. The general reliability and reproducibility of the recorded experimental data are discussed with respect to purity, phase behavior, disorder and thermal history of a given substance. Additionally, mistakes, systematic errors, or lack of conventions can lead to considerable differences in the experimental measurements. A rough error bar for the reproducibility of the melting points of organic salts of ±5 to ±15 °C can be assigned. With this restraint, we developed two simple, semiempirical, five- and nine-parameter schemes with easy-to-calculate quantities. With these, we could predict the melting temperature of a given organic salt in the temperature range of -25 to +300 °C with an average error of 33.5 °C and a relative error of 9.3%. All calculated quantities are assessed with the help of conventional DFT, COSMO and COSMO-RS calculations, and are currently implemented into the IL-Prop module of the upcoming version of COSMOtherm. These prediction schemes are suitable for high-throughput computational screening of substances in the context of "computer-aided synthesis". Therefore, they are valuable tools to find a compound with a suitable melting point before its first synthesis.

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Section: Outliers and Validationmentioning

confidence: 80%

Is Universal, Simple Melting Point Prediction Possible?

et al. 2011

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“…1 predicts that the plot ln ( 2 ) against 1 is a straight line with a -slope. However, despite the intensive application of Kissinger's method in interpreting DSC data [9,[11][12][13], significant inaccuracies in the determination of Ea may arise from the inherent methodological approximation. First, the physical meaning of the apparent kinetic parameters is not always clear: the concept of reaction progress should be limited to independent reactions occurring successively after each other, within specific temperature ranges, which is not the case in our system where elementary physical mechanisms interact with each other and occur concurrently at all temperatures, according to their specific kinetics.…”

Section: Theoretical Approachmentioning

confidence: 99%

A redox reaction model for self-heating and aging prediction of Al/CuO multilayers

Lahiner

Zappata

Cure

et al. 2019

Combustion Theory and Modelling

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Sputter-deposited Al/CuO multilayers capable of highly energetic reactions have been the subject of intense studies for tunable initiation and actuation. Designing high performance Al/CuO-based initiator devices definitively requires reliable prediction of their ignition and reaction kinetics including self-heating or aging as a function of heating rate and environmental conditions. The paper proposes a heterogeneous reaction model integrating an ensemble of basic mechanisms (oxygen diffusion, structural transformations, polymorphic phase changes) that have been collected from recent experimental investigations. The reaction model assumes that the rate of reaction is limited by the transport of oxygen across the growing layer of Al2O3 separating Al and CuO. Importantly, we show that the model predicts reasonably all exotherms through a wide range of temperature (ambient -1000 °C), all resulting from a pure diffusion process as experimentally observed for such Al/CuO multilayers. The model shows how the temperature ramp affects the structure of the multilayer and especially the growth of alumina-based interfacial regions. It highlights the importance of the interfacial chemistry evolution such as the native mixture of AlxCuyOz transformation into a thin amorphous alumina, and the polymorphic phase transformation of this latter. The first one occurring at ~350 °C results in a loss of continuity of the interface leading to the accelerated redox 2 reaction whereas the second one occurring between 500 and 600 °C produces a denser barrier to oxygen diffusion leading to the stop of redox reaction. We finally use the model to simulate thermal annealing as usually performed in accelerated aging experiments. We theoretically observe and experimentally validate that a two weeks exposure of the multilayers at 200 °C starts degrading the multilayers thermal properties whereas when the temperature remains below 200 °C, the material keeps its entire integrity.

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“…In order to improve the combat effect and safe performance of weapons, energetic materials with different particle sizes have been manufactured and used, because they may exhibit different chemical and physical properties. For the safety of energetic materials during manufacturing, storing and using process, much effort has been devoted to investigating the effects of energetic material particle size on thermal decomposition [1][2][3][4][5][6][7][8][9][10]. Particle sizes of energetic materials can influence the initiation process and thermal decomposition kinetics.…”

Section: Introductionmentioning

confidence: 99%

Size‐dependent Effect on Thermal Decomposition and Hazard Assessment of TKX‐50 under Adiabatic Condition

Wang

Chen

Jin

et al. 2018

Propellants Explo Pyrotec

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The thermal decomposition of dihydroxylammonium 5,5′‐bistetrazole‐1,1′‐diolate (TKX‐50) with three different particle sizes were studied under adiabatic condition by using accelerating rate calorimeter (ARC). The adiabatic experiment revealed that TKX‐50 had two decomposition stages. Based on the experimental results, the decomposition parameters including the thermal data and pressure data of three kinds of TKX‐50 were used as the hazard assessment indicators. The results revealed that the decomposition of TKX‐50 nanoparticles was the mildest among all of the samples in the first decomposition stage. In addition, the SADT of three kinds of TKX‐50 with different sizes were predicted when stored in the wooden cylinder, and the results showed that TKX‐50 milliparticles exhibited the best thermal stability.

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Particle Size Effects on Thermal Decomposition of Energetic Material

Cited by 62 publications

References 34 publications

Is Universal, Simple Melting Point Prediction Possible?

Is Universal, Simple Melting Point Prediction Possible?

A redox reaction model for self-heating and aging prediction of Al/CuO multilayers

Size‐dependent Effect on Thermal Decomposition and Hazard Assessment of TKX‐50 under Adiabatic Condition

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