A short review on explosive sub-shock ignition site formation in nitrate esters

In order to predict explosive behavior in new energetics, it is necessary to evaluate the chemical reactions that lead to the formation of localized ignition sites. Because explosive safety tests tend convolute the mechanics of heat generation at the mesoscale with the thermal stability and reaction...

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Bibliographic Details
Main Authors: Manner, Virginia, Cawkwell, M. J.
Format: Conference Proceeding
Language:English
Subjects:
Chemical reactions
Heat generation
Ignition
Mechanics (physics)
Molecular properties
Nitrate esters
PETN
Statistical analysis
Thermal stability
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Summary:In order to predict explosive behavior in new energetics, it is necessary to evaluate the chemical reactions that lead to the formation of localized ignition sites. Because explosive safety tests tend convolute the mechanics of heat generation at the mesoscale with the thermal stability and reaction rates of the explosive at the molecular level, we have sought to deconvolute the physics and mechanics of heat generation from the underlying chemistry of the molecules through i) state-of-the-art modeling and simulation at the meso- and atomic scales, ii) targeted synthetic modifications of the molecular properties that matter, iii) statistical analyses of historical datasets of sensitivity data, and finally iv) the development of carefully designed experiments with new diagnostics. In this review, we discuss the multi-step, multi-disciplinary process involved in probing and modifying the formation of an explosive ignition site, and the new diagnostics necessary to understand explosive ignition site formation and propagation with an emphasis on nitrate ester explosives like pentaerythritol tetranitrate (PETN).
ISSN:0094-243X
1551-7616
DOI:10.1063/12.0032384