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Estimation des sensibilités des matériaux énergétiques soumis à divers stimuli. Interprétation de la sensibilité à l’aide de mécanismes cinétiques détaillés.

Abstract : The main aim of this work is to elaborate predictive tools allowing sensitivity estimation of energetic materials submitted to various stimuli. The main work concerns the calculation of targeted properties of materials having a probable effect on sensitivity predictions. Especially the physico-chemical properties, the thermodynamic properties and properties related to electrostatic potential of the molecule. Prediction is done using correlations established for impact, shock wave, electrostatic discharge, thermal stress and friction. The results are overall good given the current limitations on the subject. Especially there is a lack of quality experimental data and methods for physico-chemical property calculations of energetic materials.The second aim of this work is the study of a potential link between the sensitivity and the auto-ignition delay of energetic materials. Checking this hypothesis requires the development and the use of detailed kinetic mechanisms for a variety of compounds having different sensitivities (RDX, HMX, TNT, TNAZ, NG, PETN, FOX-7, NTO, CL-20). Writing series of reactions, the estimation of rate constants and the calculation of thermodynamic data were carried out. The experimental data available do not allow to validate the mechanisms which must be also improved. At this time it is not possible to assess or not this hypothesis even if trends are such as to confirm it. However, this approach needs to be further worked out.
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Submitted on : Tuesday, April 27, 2021 - 1:01:10 AM
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  • HAL Id : tel-03208950, version 1

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Aurélien Demenay. Estimation des sensibilités des matériaux énergétiques soumis à divers stimuli. Interprétation de la sensibilité à l’aide de mécanismes cinétiques détaillés.. Chimie-Physique [physics.chem-ph]. Université Paris Saclay (COmUE), 2016. Français. ⟨NNT : 2016SACLY007⟩. ⟨tel-03208950⟩

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