Molecular Dynamics of Nitramines and High Energy Composite Materials
Final rept. 1 Oct 1976-30 Sep 1980
DELAWARE UNIV NEWARK DEPT OF CHEMISTRY
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A study of the molecular dynamics of the solid phase of HMX and RDX was undertaken to learn the effects of thermal and pressure stress on these nitramines. Raman, nuclear quadrupole resonance, and nuclear magnetic resonance spectroscopy, mass spectrometry, X-ray methods and computer graphics were or are being employed. A complete analysis of the four polymorphs of HMX as a function of temperature and pressure by using Raman spectroscopy was made. A pressure- temperature phase diagram of the beta-to-delta-HMX solid phase transformation was developed. Computer graphics were employed to examine the inter- and intra- molecular interactions that might play a role in thermal degradation of HMX. The positioning of atoms in the lattice is favorable for HONO, CH2O and N2O formation from the solid materials. Mass spectrometry is being used to examine in detail the possible differences in the product distribution during pyrolysis of the polymorphs of HMX. Nuclear resonance spectroscopy employing both the magnetic and quadrupole moments of nuclei in HMX molecule is being conducted to discover the specific molecular motions as HMX is heated from 77K through the beta-to-delta phase transformation. The results reveal a considerable increase in molecular motion in the lattice as it heats.
- Laminates and Composite Materials
- Atomic and Molecular Physics and Spectroscopy