Cocrystallyzate of α-CL-20 with Water and Hydrogen Peroxide as a Potential Component of Solid Composite Propellants

• Published in: Russian journal of physical chemistry. B Vol. 16; no. 2; pp. 300 - 307
• Main Authors: Ignatieva, E. L., Lempert, D. B., Chukanov, N. V., Shilov, G. V., Aldoshin, S. M.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01.04.2022; Springer Nature B.V
• Subjects: Chemical synthesis; Chemistry; Chemistry and Materials Science; Combustion; Composite propellants; Crystal structure; Density; Explosion; Hydrogen peroxide; Infrared spectroscopy; Molecular structure; Physical Chemistry; Shock Waves; Specific impulse; Water chemistry; cocrystallizates; 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane; hydrogen peroxide; crystal structure; effective impulse; water; specific impulse
• ISSN: 1990-7931; 1990-7923
• DOI: 10.1134/S1990793122020178

For the first time, a trimolecular cocrystallizate ( I ) 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) with hydrogen peroxide and water molecules has been synthesized, and its crystals are obtained. The molecular and crystal structure of I is determined by X-ray diffraction analysis and IR spectroscopy. It is found that CL-20, hydrogen peroxide, and water are present in the crystal in a molar ratio of 1 : 0.26 : 0.14. The mutual arrangement of CL-20 molecules in the crystal and their conformational state are the same as in α-polymorph of this compound. The inclusion of small molecules in the structural cavities of a solid energy-intensive compound leads to a significant increase in the density of the crystal and the entire fuel composition and, thus, increases the effective impulse, especially in the lower stages, even in cases where the specific impulse does not increase or slightly decreases. The cocrystallizer density of I is 4.1% higher than the density of pure α-CL-20.