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A suitable computer code for prediction of sublimation energy and deflagration temperature of energetic materials

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Abstract

This paper reviews some recent developments for prediction of sublimation energy and deflagration temperature of energetic materials, which are important for the assessment of hazardous properties of these types of compounds. A novel user-friendly computer code, written in Visual Basic, is introduced to predict sublimation energy and deflagration temperature of energetic materials through using only their molecular structure parameters. It can be used for different types of energetic compounds including nitroaliphatics, nitroaromatics, nitramines and nitrate esters. The predicted results were compared with experimental data for some new energetic compounds of different classes containing complex molecular structures, which confirm high reliability of this novel computer code.

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Acknowledgements

We would like to thank the research committee of Malek-ashtar University of Technology (MUT) for supporting this work.

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Authors and Affiliations

  1. Department of Chemistry, Malek-ashtar University of Technology, P.O. Box 83145/115, Shahin-shahr, Islamic Republic of Iran

    Mohammad Hossein Keshavarz, Kamal Ghani & Abdoalreza Asgari

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  1. Mohammad Hossein Keshavarz
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  2. Kamal Ghani
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  3. Abdoalreza Asgari
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Correspondence to Mohammad Hossein Keshavarz.

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Keshavarz, M.H., Ghani, K. & Asgari, A. A suitable computer code for prediction of sublimation energy and deflagration temperature of energetic materials. J Therm Anal Calorim 121, 675–681 (2015). https://doi.org/10.1007/s10973-015-4622-0

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  • DOI: https://doi.org/10.1007/s10973-015-4622-0

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