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

Molecules. 2020 Sep 20;25(18):4311. doi: 10.3390/molecules25184311.

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.

Keywords: CL-20; characterization; cocrystal energetic materials; molecular dynamic simulation; preparation.

Publication types

  • Review

MeSH terms

  • Aza Compounds / chemistry*
  • Azocines / chemistry
  • Crystallization
  • Ethylenes
  • Explosive Agents / chemistry*
  • Heterocyclic Compounds / chemistry*
  • Molecular Conformation
  • Molecular Dynamics Simulation
  • Nitro Compounds
  • Structure-Activity Relationship
  • Trinitrotoluene / chemistry

Substances

  • 1,1-diamino-2,2-dinitroethylene
  • 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaaza-isowurtzitane
  • Aza Compounds
  • Azocines
  • Ethylenes
  • Explosive Agents
  • Heterocyclic Compounds
  • Nitro Compounds
  • Trinitrotoluene
  • octogen