The Relationship between Impact Sensitivity of Nitroaromatic Energetic Compounds and their Electrostatic Sensitivity

Zohari, Narges; Seyedsadjadi, Seyed Abolfazl; Marashi-Manesh, Sadegh

doi:10.22211/cejem/64994

Cited by 12 publications

(5 citation statements)

References 26 publications

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“…According to Equation (2), the primary fragmentation reactions of energetic compounds by electric spark and impact have the same trend except for some compounds in which the presence of some molecular fragments may provide large deviations. Thus, the same as previous studies for the selected classes of energetic compounds,[14a], [14b] Equation (2) can provide a general pathway to correlate mechanism of energy transfer of an energetic compound from electric spark or impact to the reaction center of a molecule. The experimental values of impact sensitivities depend on shape and size of crystals that might connect with dislocations in these crystals.…”

Section: Resultsmentioning

confidence: 95%

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A General Relationship between Electric Spark and Impact Sensitivities of Nitroaromatics and Nitramines

Ferdowsi

Yazdani

Omidkhah

et al. 2018

Zeitschrift anorg allge chemie

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Abstract. Two well‐known stimuli for initiation of energetic compounds are electric spark and impact, which are closely related to many accidents in working places. It is valuable to correlate electric spark sensitivity and impact sensitivity of an energetic compound through its molecular moieties. A general approach is introduced to correlate electric spark and impact sensitivities of energetic compounds including nitroaromatics and nitramines by the use of three structural functions. The predicted results of the novel model for 45 energetic compounds containing 31 nitroaromatics and 14 nitramines are compared with two of the best available models, which are based on complex quantum mechanical approaches. The root‐mean‐square (RMS) and maximum deviations of the new model are 1.31 and 2.97 J, respectively, which are lower than total predictions by two quantum mechanical models. For further 9 energetic compounds containing complex molecular structures, where the calculated electric spark sensitivities by quantum mechanical approaches were not available, the estimated electric spark sensitivities by the new model are close to experimental data, i.e. the RMS and maximum deviations are 1.12 and 1.58 J, respectively.

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Section: Resultsmentioning

confidence: 95%

“…Some investigations have been done to correlate electric spark sensitivity with the other types of sensitivity for some classes of energetic compounds. [3a], …”

Section: Resultsmentioning

confidence: 99%

A General Relationship between Electric Spark and Impact Sensitivities of Nitroaromatics and Nitramines

Ferdowsi

Yazdani

Omidkhah

et al. 2018

Zeitschrift anorg allge chemie

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“…The elemental compositions of different classes of energetic compounds are important parameters for assessment of their impact sensitivities [5][6][7][8][9][10][17][18][19][20]. For ionic liquids, it has been found that the elemental composition and the contributions of some cations or anions are important for the assessment of some properties such as density [21,22].…”

Section: Development Of the New Modelsmentioning

confidence: 99%

A Novel Method for Prediction of Impact Sensitivity of Quaternary Ammonium-based Eenergetic Ionic Liquids

Keshavarz

Esmaeilpour

Khoshandam

et al. 2017

Cent. Eur. J. Energ. Mater.

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Impact sensitivity is an important safety parameter for the assessment of the hazards of working with new energetic compounds including ionic molecular energetic materials. This paper introduces two novel simple correlations to assess the impact sensitivity of quaternary ammonium-based energetic ionic liquids, which are based on the elemental composition of cations and anions divided by the molecular weight of a desired ionic liquid as well as the contribution of specific cations and anions. For 72 ionic molecular systems as a training set, the root mean square (rms) deviations of predictions for these models relative to experiment are 11 J and 6 J, respectively. The reliability of the models has also been tested for a further three ionic compounds containing complex structures, which give rms deviations of 12 J and 6 J, respectively, with respect to the measured data. The results of the current study indicate that the accuracy of this novel method for the prediction of the impact sensitivity of quaternary ammonium-based energetic ionic liquids is not necessarily enhanced by greater complexity.

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“…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]. Most of the available predictive methods and the new computer code EMDB [36] for the prediction of electric spark sensitivity are based on data reported for the old RDAD instrument.…”

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 Relationship between Impact Sensitivity of Nitroaromatic Energetic Compounds and their Electrostatic Sensitivity

Cited by 12 publications

References 26 publications

A General Relationship between Electric Spark and Impact Sensitivities of Nitroaromatics and Nitramines

A General Relationship between Electric Spark and Impact Sensitivities of Nitroaromatics and Nitramines

A Novel Method for Prediction of Impact Sensitivity of Quaternary Ammonium-based Eenergetic Ionic Liquids

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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