Thermochemistry and Kinetics for Designer Molecules Additives to Energetic Materials for Improved Performance: Thermal Generation of Hydrazine

Abstract : A number of JANNAF publications have illustrated the remarkable performance modification that the addition of Tag-ZT can have in formulations of energetic materials, where the Tag-ZT additive resulted in significant improvement in performance the energetic material. Recent studies in the research lab or Dr. Rich Behrens have demonstrated that the thermal reaction of TAG-ZT results in formation of hydrazine, N2H4. The Behrens group further evaluate the hydrazine to be a primary contributor to the beneficial results of the TAG ZT additive. This study identifies a number of common N2H3 containing hydrocarbons, determines their thermochemistry and kinetic parameters for dissociation to a hydrocarbon and hydrazine using computational chemistry. Experimental studies are suggested for verification of the results and for modelers to identify desired molecular formulations for the NJIT group to target structures that match the needed properties.