Kinetics Study of a Complex Reaction: Nitration of Caged 2,6,8,12-Tetraacetyl-4,10-dinitro-2,4,6,8,10,12-hexaazaisowurtzitane

The kinetics of the nitration reaction of 2,6,8,12-tetraacetyl-4,10-dinitro-2,4,6,8,10,12-hexaazaisowurtzitane (TADN) in HNO3–H2SO4 nitrating agent has been studied. The reaction network of the nitration reaction is constructed according to analysis of the experimental results. A kinetics model is introduced and the kinetics parameters are estimated by data fitting. Statistical analysis verifies that the kinetics model is in good agreement with the experimental data. Therefore, the reaction kinetics model can be applied to process analysis and scale-up of nitration of TADN to 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (HNIW).