Mechanism of Nitration reaction and detonation

Abstract

"During World WarII and in the post war period considerable efforts have been made to synthesize powerful explosives. The problem involves detailed understanding of: (a) mechanism of reactions such as nitration involved in synthesis, (b) mechanism of detonation in condensed explosives, and (c) relationship between chemical constitution and brisance of explosives.In this paper these aspects have been discussed. It has been shown that atomic localization energy is a fairly quantitative measure of the reactivity of any position during nitration. It has also been shown that with the use of Lennard- Jones and Devonshire equation of state and Mayer and Careri potential it is possible to predict the detonation velocity of any explosive. In the last section a relationship between chemical constitution velocity of detonation of explosive compounds has been derived."