Literature DB >> 26386555

Impact sensitivities of energetic materials: Exploring the limitations of a model based only on structural formulas.

Didier Mathieu1, Thibaud Alaime2.   

Abstract

Using a comprehensive set of drop weight impact test data (h50) newly compiled from literature for 308 materials, a recent approach to predict impact sensitivities of nitro compounds is generalized to most explosive substances of interest. Compared to previous ones, this procedure is more thoroughly validated and exhibits a good predictive value. Furthermore, it yields new insight into the physical mechanisms involved, explaining for instance the unexpected desensitization of some oxygen-deficient triazoles upon nitration.
Copyright © 2015 Elsevier Inc. All rights reserved.

Entities:  

Keywords:  Applicability domain; Impact sensitivity; Quantitative structure–property relationships; Reactive hazards; Semiempirical modelling

Mesh：

Substances：

Year:  2015        PMID： 26386555     DOI： 10.1016/j.jmgm.2015.09.001

Source DB:  PubMed          Journal:  J Mol Graph Model        ISSN： 1093-3263            Impact factor:   2.518


  3 in total

1.  Computational study of the structure and properties of bicyclo[3.1.1]heptane derivatives for new high-energy density compounds with low impact sensitivity.

Authors:  Mingran Du
Journal:  J Mol Model       Date:  2017-12-18       Impact factor: 1.810

2.  Correlation between molecular charge densities and sensitivity of nitrogen-rich heterocyclic nitroazole derivative explosives.

Authors:  Roberta Siqueira Soldaini de Oliveira; Itamar Borges
Journal:  J Mol Model       Date:  2019-09-14       Impact factor: 1.810

3.  Models for predicting impact sensitivity of energetic materials based on the trigger linkage hypothesis and Arrhenius kinetics.

Authors:  Tomas L Jensen; John F Moxnes; Erik Unneberg; Dennis Christensen
Journal:  J Mol Model       Date:  2020-03-04       Impact factor: 1.810
  3 in total

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