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JOURNALS // Fizika Goreniya i Vzryva // Archive

Fizika Goreniya i Vzryva, 2018 Volume 54, Issue 1, Pages 99–107 (Mi fgv480)

This article is cited in 2 papers

Standard enthalpy of formation of a CL-20 bimolecular crystal with tris-oxadiazol-azepin and its thermal stability

A. I. Kazakov, T. K. Goncharov, D. B. Lempert, N. A. Plishkin, K. V. Bozhenko, A. N. Utenyshev, D. V. Dashko, A. I. Stepanov, S. M. Aldoshin

Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, 142432, Russia

Abstract: The standard enthalpies of combustion and formation of 7$H$-tris([1,2,5]oxadiazol)[3,4-b:3',4'-d:3',4'-f]azepin, its bimolecular crystal with the $\gamma$-polymorph (CL-20), and $\gamma$-polymorphs of CL-20 are experimentally determined. The standard enthalpies of formation of the bimolecular crystal and the equimolecular mechanical mixture of $\gamma$-CL-20 with azepin are found to differ by less than 12.8 kJ/mol. This small difference is validated by quantum-chemical calculations. It is experimentally observed that the presence of azepin in the bimolecular crystal inhibits thermal decomposition of $\gamma$-CL-20 and increases the thermal stability of $\gamma$-CL-20 in the bimolecular crystal as compared to $\gamma$-CL-20 in the initial state.

Keywords: enthalpy of combustion, enthalpy of formation, cocrystallization, polymorph of CL-20, bimolecular crystals, thermal stability.

UDC: 541.11:547.235.5

Received: 22.02.2017

DOI: 10.15372/FGV20180113


 English version:
Combustion, Explosion and Shock Waves, 2018, 54:1, 89–96

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© Steklov Math. Inst. of RAS, 2024