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Modelling of the Effect of Concentrated Nitration Conditions on the Efficiency of the Production of ,7-Dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane (DPT)

Hadi Z., Esmaeilpour K., Damiri S., Afzali A., Keshavarz M. H.

Central European Journal of Energetic Materials

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2018

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Vol. 15, no. 1

72--84

EN

3,7-Dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane (DPT) is one of the most important intermediates in the synthesis of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). A suitably modified Bachmann process, nitrolysis of solid hexamine in the presence of ammonium nitrate-nitric acid and acetic anhydride on a laboratory scale, is introduced to increase the efficiency, production capacity and purity of the DPT produced. Various quantitative and qualitative analytical methods were used for the identification and quality control of the product. A central composite design (CCD) of experiments was used to optimize the production process, increasing the production capacity, reducing the amount of acetic acid as the reaction medium to a suitable limit, and examining the effects of the main factors impacting on the efficiency of the nitration, e.g. the volume of ammonium nitrate-nitric acid solution, nitration temperature reactor addition time and volume of acetic anhydride. The overall results indicated that DPT was obtained with an efficiency of 64.58% and a production capacity of 20.77 (100 g·mL−1).

2

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

Keshavarz M. H., Esmaeilpour K., Khoshandam H., Keshavarz Z., Atabak H. H., Damiri S., Afzali A.

Central European Journal of Energetic Materials

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2017

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Vol. 14, no. 3

520--533

EN

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.

3

Increasing the Efficiency of the Production of 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane (HMX)

Afzali A., Esmaeilpour K., Damiri S., Hadi Z., Keshavarz M. H.

Central European Journal of Energetic Materials

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2016

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Vol. 13, no. 4

845--858

EN

This work introduces a suitable method for the optimization of selective synthesis of 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX), as one of the most well-known high explosives, from the aspects of production capacity and efficiency, by nitration of 3,7-dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane (DPT). The effective factors in the productive capacity of HMX and the synthesis of a product from raw DPT with high capacity, purity, and efficiency have been identified. The required qualitative and quantitative analyses were performed for the identification and confirmation of the product quality. In order to optimize the process of increasing the capacity of HMX production and evaluation of the effects of different factors on the production capacity, a series of experiments were designed and performed by using central composite design (CCD). Practical studies and statistical analyses showed good conformity between the model presented and the actual results, allowing the selective production of HMX with an efficiency of greater than 70% and a high production capacity.