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CL-20-Based Cocrystal Energetic Materials: Simulation, Preparation and Performance

Weiqiang Pang, Ke Wang, Wei Zhang, L.T. De Luca, Xuezhong Fan, Junqiang Li

2020Molecules69 citationsDOIOpen Access PDF

Abstract

The cocrystallization of high-energy explosives has attracted great interests since it can alleviate to a certain extent the power-safety contradiction. 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaaza-isowurtzitane (CL-20), one of the most powerful explosives, has attracted much attention for researchers worldwide. However, the disadvantage of CL-20 has increased sensitivity to mechanical stimuli and cocrystallization of CL-20 with other compounds may provide a way to decrease its sensitivity. The intermolecular interaction of five types of CL-20-based cocrystal (CL-20/TNT, CL-20/HMX, CL-20/FOX-7, CL-20/TKX-50 and CL-20/DNB) by using molecular dynamic simulation was reviewed. The preparation methods and thermal decomposition properties of CL-20-based cocrystal are emphatically analyzed. Special emphasis is focused on the improved mechanical performances of CL-20-based cocrystal, which are compared with those of CL-20. The existing problems and challenges for the future work on CL-20-based cocrystal are discussed.

Topics & Concepts

CocrystalExplosive materialThermal decompositionSensitivity (control systems)Intermolecular forceDecompositionEnergetic materialChemistryCombinatorial chemistryMaterials scienceComputer scienceMoleculeOrganic chemistryEngineeringHydrogen bondElectronic engineeringEnergetic Materials and CombustionThermal and Kinetic AnalysisRocket and propulsion systems research