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Comprehensive assessment of physicochemical properties of new energetic materials

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Abstract

The review presents original methodological approaches and summarizes the results of research into the assessment of relationships between the structure of energetic organic compounds and their main physicochemical properties. A large number of experimental values of these parameters were statistically analyzed, and a database of the properties of explosives and rocket propellant ingredients was created. Based on the analysis and integration of these data, approaches were developed to evaluate the fundamental properties of energetic compounds of different chemical classes, such as the enthalpy of formation, the molecular crystal density, and the sensitivity to mechanical impacts. The explosive and ballistic characteristics were calculated. The comprehensive assessment was made of the possible applications of new substances and those poorly characterized by experimental methods.

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Authors and Affiliations

  1. V. V. Bakhirev State Scientific Research Institute of Mechanical Engineering, 11a ul. Sverdlova, 606002, Dzerzhinsk, Nizhny Novgorod Region, Russian Federation

    A. S. Smirnov & S. P. Smirnov

  2. N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp., 119991, Moscow, Russian Federation

    T. S. Pivina & L. K. Maslova

  3. Institute of Problems of Chemical Physics, Russian Academy of Sciences, 1 prosp. Akad. Semenova, 142432, Chernogolovka, Moscow Region, Russian Federation

    D. B. Lempert

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  1. A. S. Smirnov
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  2. S. P. Smirnov
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  3. T. S. Pivina
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  4. D. B. Lempert
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  5. L. K. Maslova
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Correspondence to A. S. Smirnov.

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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 2315—2332, October, 2016.

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Smirnov, A.S., Smirnov, S.P., Pivina, T.S. et al. Comprehensive assessment of physicochemical properties of new energetic materials. Russ Chem Bull 65, 2315–2332 (2016). https://doi.org/10.1007/s11172-016-1584-8

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  • DOI: https://doi.org/10.1007/s11172-016-1584-8

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