Abstract
As the most popular high-energy explosives, 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo [5.5.0.0.0] dodecane (Simplified as HNIW or CL20) attracts many attentions for improving its detonation appearance in the application. Here we introduce hydrogen-storage compounds into explosives to estimate the possible improved detonation performances by Car-Parrinello molecular dynamics (CPMD) simulation, where we construct lithium amidoborane (LAB) doped CL20 as the initial structure. Almost all the interactions between hydrogen and CL20 appear exothermic properties, which indicate LAB increases the enthalpies of detonation. The results suggest explosive mixed with hydrogen-storage material is possibly a new field of energetic compound.
| Original language | English |
|---|---|
| Pages (from-to) | 19825-19840 |
| Number of pages | 16 |
| Journal | International Journal of Hydrogen Energy |
| Volume | 43 |
| Issue number | 43 |
| DOIs | |
| Publication status | Published - 25 Oct 2018 |
UN SDGs
This output contributes to the following UN Sustainable Development Goals (SDGs)
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SDG 7 Affordable and Clean Energy
Keywords
- CL20
- Car-parrinello molecular dynamics (CPMD)
- Composite explosives
- Nitramine explosives
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