The Correlation between Electric Spark Sensitivity of Polynitroaromatic Compounds and Their Molecular Electronic Properties

Zhi, Chunyan; Cheng, Xinlu; Zhao, Feng

doi:10.1002/prep.200900092

Cited by 47 publications

(22 citation statements)

References 29 publications

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“…It was indicated that experimental values of electrostatic sensitivity of energetic materials depend on various factors such as granulometry and particle shape [36,37], moisture content [36], the molecular electronic properties [38], the configuration of electrodes [38][39][40], and the general structure of the circuit [36]. As seen in Table 4, the predicted electrostatic sensitivities for the compounds are consistent with their impact sensitivities given in Table 3.…”

Section: Estimation Of E Essupporting

confidence: 64%

Prediction of Sensitivity of Energetic Compounds with a New Computer Code

Keshavarz

Motamedoshariati

Moghayadnia

et al. 2014

Propellants Explo Pyrotec

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Simple and reliable approaches have been recently introduced to predict impact, electrostatic and shock sensitivities of energetic compounds [1][2][3][4][5][11][12][13][14][15][16][17][18][19][20][21]. Impact SensitivityThe impact sensitivity test involves subjecting a sample to the impact of the standard mass falling from different Abstract: Impact, electrostatic, and shock sensitivities of energetic compounds are three important parameters for the assessment of hazardous energetic materials. A novel easy to handle and user-friendly computer code, written in Visual Basic, is introduced to predict these parameters, by solely using the molecular structure of an energetic molecule. It is able to predict impact sensitivity for different types of energetic compounds including nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles, nitropyrimidines, polynitro arenes, benzofuroxans, polynitro arenes with a-CH, nitramines, nitroaliphatics, nitroaliphatic containing other functional groups, and nitrate energetic compounds. It can also provide reliable results for electrostatic and shock sensitivities of some classes of high explosives including nitroaromatic and nitramine compounds. The prediction of this code give good values for some newly reported energetic compounds, where experimental data are available.

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Section: Estimation Of E Essupporting

confidence: 64%

Prediction of Sensitivity of Energetic Compounds with a New Computer Code

Keshavarz

Motamedoshariati

Moghayadnia

et al. 2014

Propellants Explo Pyrotec

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“…[95].E ven though results from the RDAD instrument also correlate very well with the moleculars tructure of polynitro compounds [1,19,21,98,99] they cannot be taken as values of a" pure" (real) electric spark sensitivity.I ti si mportant that the semilogarithmicr elationship between the E ES values and dissociation energies DH(NÀN) in nitramines is directly proportional [19].T he relationship of the results from both these instruments (i.e. RDAD and ESZ KTTV) is representedb y ab roken-line [19] for nitramines and full lines for polynitro arenes [20].T he majority of published papers aboutp rediction of the electric spark sensitivity (see for example [98][99][100][101][102][103][104][105][106]) are basedo nt he results using the RDAD apparatus [21,95,[107][108][109][110][111].…”

Section: Electric Spark Sensitivitymentioning

confidence: 99%

Sensitivity and Performance of Energetic Materials

Zeman

Jungová

2016

Propellants Explo Pyrotec

208

127

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Abstract. This paper provides an overview of the main developments over the past nine years in the study of the sensitivity of energetic materials (EM) to impact, shock, friction, electric spark, laser beams and heat. Attention is also paid to performance and to its calculation methods. Summaries are provided of the relationships between sensitivity and performance, the best representations for the calculation methods of performance being the volume heat of explosion or the product of crystal density and the square of detonation velocity. On the basis of current knowledge, it is possible to state that a single universal relationship between molecular structure and initiation reactivity does not yet exist. It is confirmed that increasing the explosive strength is usually accompanied by an increase in the sensitivity. In the case of nitramines this rule is totally valid for friction sensitivity, but for impact sensitivity there are exceptions to the rule, and with 1,3,5-trinitro-1,3,5-triazepane, 1,3,5-trinitro-1,3,5-triazinane, β−1,3,5,7-tetranitro-1,3,5,7-tetrazocane and the α−, β− and ε−polymorphs of 2, 4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane the relationship works in the opposite direction. With respect to the QSPR approach there might be reasonably good predictions but it provides little insight into the physics and chemistry involved in the process of initiation.

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“…Using the old RDAD instrument, Zeman et al [10][11][12][13] reported the electric spark sensitivity of a large set of nitramines and polynitroarenes. These data have been used in recent years for the development of predictive methods for nitramines [14][15][16][17][18][19] and polynitroarenes [20][21][22]. Furthermore, the reported electric spark sensitivities based on the output from RDAD instruments have also been correlated with detonation performance [12,[23][24][25][26], impact sensitivity [27,28], thermal stability [29][30][31][32][33], and shock sensitivity [34,35].…”

Section: Introductionmentioning

confidence: 99%

A Novel Approach for the Prediction of Electric Spark Sensitivity of Polynitroarenes Based on the Measured Data from a New Instrument

Keshavarz¹

2019

Cent. Eur. J. Energ. Mater.

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This paper introduces two novel correlations for the assessment of the electric spark sensitivity of polynitroarenes based on a new instrument, marked as ESZ KTTV, which gives more reliable experimental data than a previous old system, marked as RDAD. The first correlation used the number of oxygen and chlorine atoms, as well as a correcting function that increases the predicted results based on elemental composition. Since the relationship between the measurements from ESZ KTTV and RDAD is not unequivocal, a second correlation can convert the reported data based on the RDAD system to the ESZ KTTV instrument. The second correlation can be applied to many available predictive methods, and provides the estimated results based on the RDAD instrument. For 34 polynitroarenes, where experimental values from both the RDAD and the ESZ KTTV instruments were available, the values of the root-mean-square deviation (RMSD) for the first and second correlations were 43.9 mJ and 36.0 mJ, respectively. Thus, due to the larger uncertainty in the measured data of the old RDAD system, both correlations provide more reliable data based on the ESZ KTTV instrument.

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The Correlation between Electric Spark Sensitivity of Polynitroaromatic Compounds and Their Molecular Electronic Properties

Cited by 47 publications

References 29 publications

Prediction of Sensitivity of Energetic Compounds with a New Computer Code

Prediction of Sensitivity of Energetic Compounds with a New Computer Code

Sensitivity and Performance of Energetic Materials

A Novel Approach for the Prediction of Electric Spark Sensitivity of Polynitroarenes Based on the Measured Data from a New Instrument

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