Software Development for the Detonation Product Analysis of High Energetic Materials - Part I

Abstract

The detonation of energetic materials will result in the formation of decomposition products. These may be carbon monoxide, carbon dioxide, carbon, water, etc. In order to clarify the problems of decomposition products, a software package is developed to solve the problems of decomposition products using four different concepts. Although each concept will provide a different answer for the decomposition products they can be used as a guide and give fairly good approximations. This paper describes the development of a software package to estimate the possible decomposition products and the results generated using the software package LION. An algorithm to compute the detonation products of energetic materials using four different concepts along with the computation of oxygen balance, elemental composition, and molecular weight has been developed and described in this paper. The concept or predicting possible detonation products is particularly useful as one of the guideline for screening the potential molecules, when formulating explosives to produce a minimum toxic fumes to reduce the toxic hazardous to the users