Publishing House SB RAS:

Publishing House SB RAS:

Address of the Publishing House SB RAS:
Morskoy pr. 2, 630090 Novosibirsk, Russia



Advanced Search

Combustion, Explosion and Shock Waves

2018 year, number 1

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
Keywords: энтальпия сгорания, энтальпия образования, сокристаллизация, Оі-полиморфа CL-20, 7H-трис([1,2,5]оксадиазоло)[3,4-b:3',4'-d:3'',4''-f]азепин, бимолекулярные кристаллы, термическая стабильность, enthalpy of combustion, enthalpy of formation, cocrystallization, polymorph of CL-20, bimolecular crystals, thermal stability

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 γ-polymorph (CL-20), and γ-polymorphs of CL-20 are experimentally determined. The standard enthalpies of formation of the bimolecular crystal and the equimolecular mechanical mixture of γ-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 γ-CL-20 and increases the thermal stability of γ-CL-20 in the bimolecular crystal as compared to γ-CL-20 in the initial state.