Some Chemical and Structural Factors Related to the Metastabilities of Energetic Compounds
Abstract
We have presented an overview of various attempts to relate the impact and shock sensitivities of energetic materials to their molecular structures. The objectives of such efforts are to better understand the chemical and structural determinants of these sensitivities, and to develop a predictive capability to facilitate the evaluation of new and proposed energetic compounds. Our particular emphasis in this discussion has been upon the relationship of impact sensitivities to the electrostatic potential patterns on the molecular surfaces. The current status of our analyses is represented by eqs. (7) - (9). While the success of these expressions is pleasing, we certainly do not claim that they are in final form. They reflect small data bases and measurements with a relatively high level of uncertainty. As more compounds are included, it may well be that the specific formulations given in eqs. (7) - (9) will be modified; i.e. other functions of V-bar s(-) and V-bar s(+) sigma 2 - and sigma 2 + may turn out to be more effective. What is important at present, however, is the unifying concept that we have found to apply to all three of these classes of compounds, namely that their impact sensitivities can be related to the degree of imbalance between their typically stronger positive surface electrostatic potentials and weaker negative ones.
Document Details
- Document Type
- Technical Report
- Publication Date
- Apr 27, 1998
- Accession Number
- ADA342995
Entities
People
- Jane S. Murray
- Peter Politzer
Organizations
- University of New Orleans