Abstract
In order to reveal the effect of PNMAIW on the crystal transition of HNIW theoretically, the stability configuration of PNMAIW was designed by the methods of molecular modeling. The effect of PNMAIW on the HNIW crystal in the system of nitric acid/water, ethyl acetate/n-hexane, and ethyl acetate/chloroform, respectively, was studied. The results show that PNMAIW has four stable structures. The bonding energy of PNMAIW to the surface of HNIW is much larger than that of the solvent and the nonsolvent to the surface of HNIW, so the exist of PNMAIW in the crystal transition system would inhibit the formation of ε-HNIW crystal.
| Original language | English |
|---|---|
| Pages (from-to) | 1-5 |
| Number of pages | 5 |
| Journal | Huozhayao Xuebao/Chinese Journal of Explosives and Propellants |
| Volume | 32 |
| Issue number | 4 |
| Publication status | Published - 2009 |
Keywords
- Bonding energy
- Dynamics
- HNIW
- Molecular simulation
- PNMAIW
- Physical chemistry