Thermal behavior of 1,7-diamino-1,7-dinitrimino-2,4,6-trinitro-2,4,6-triazaheptane

摘要: This paper describes the synthesis and thermal behavior of 1.7-diamino-1,7-dinitrimino-2,4,6-trinitro2,4,6-triazaheptane (APX). The non-isothermal kinetics APX was calculated by using differential isoconversional method based on thermo-gravimetric/differential analyzer results. It found that with extent conversion increase, activation energy increase from 136.6 kJ/mol to highest value 294.0 at 40%, then decrease 248.2 kJ/mol; In addition. decomposition mechanism systematically studied in situ pyrolytic Fourier transform infrared spectroscopy, electron impact ionization analysis density functional theory. final products were conformed include N2O, NO2, CONH, H2CO, etc. lowest bond dissociation is N-N bonds these may be decomposed initially. Finally, most probable pathway N6-N7 homolysis proposed theoretical results are good agreement experimental data. (C) 2012 Elsevier B.V. All rights reserved.