Influence of metals on the thermal decomposition of s-triaminotrinitrobenzene (TATB)

Abstract

By acceptance of this article for publication. the publisher recomtiaaa the kve~ment'~(license) ri~hts in any copyright and the ti~erttment and i~authomzr epwsentativee have unrestricted right to reproduce in whole or in partsaid article under any co~yriwht secured by the~ublisher. The LOSAlamos Scientific Laboratory rcwsste that the publisher identifv this article as work performed under the auspices of the UsE~DAO

New Thermal Decomposition Pathway for TATB

“…The EICs for 45 m/z represent 13 CO 2 forming from oxidation of the TATB phenyl ring. For unlabeled-TATB there is almost no intensity for m/z 45 while for the 13 C 6 -TATB, the pro le shows m/z 45 ion evolving both early and late. The residual 44 m/z CO 2 in the 13 C 6 -TATB pro le is due to 94% isotopic purity.…”

“…The residual 44 m/z CO 2 in the 13 C 6 -TATB pro le is due to 94% isotopic purity. 20 It is signi cant that the 13 C material decomposes about twice as fast as 12 C material. The faster decomposition was veri ed using thermal analysis (simultaneous mass loss and heat ow) at both isothermal and constant heating rate conditions using methods described elsewhere.…”

“…Subsequently, the rings fall apart leading to light-gas formation, such as C 2 N 2 and HNCO, HCN, etc. [10][11][12][13][14][15][16][17][18][19] The molecular pro le of TATB as it relates to DDT transitions has traditionally been overlooked in the literature and our study highlights novel molecular pathways that occur as IHE is heated above its stability limit. These pathways can help constrain the physiochemical properties of current and future IHE compounds and allow prediction of the behavior and safe handling of energetic materials.…”

TATB thermal decomposition: Expanding the molecular profile with cryo‐focused pyrolysis GC‐MS

“…Koroglu et al using in-situ FTIR to examine TATB and d 6 -TATB degraded in isothermal conditions, found a significant kinetic isotope effect in the evolution of light gases, even in gases not containing N, such as CO 2 [8]. Burnham et al using HPLC-DAD techniques showed the evolution of several species with TATBlike structures being produced and then consumed during 169 unassigned [40] small-scale isothermal experiment at 330 °C [28]. These species include F 1 , F 2 , and newly recognized hydroxyl F 1 (HOÀ F 1 ), along with several other unidentified compound with m/z of 200 and higher.…”

New thermal decomposition pathway for TATB

“…With the recent successful synthesis of 13 C 6 -TATB ( 13 C incorporated into the benzene ring), the same experiments have been used to show the source of the CO 2 is the early breakdown of the TATB ring, not adventitious C from impurities and/or adsorbed CO 2 . A shift in mass m/z 44 (CO 2 ) to m/z 45 is observed throughout the decomposition process indicating the isotopically labeled 13 C ring breakdown occurs at the onset of thermal decomposition along with furazan formation. Partially labeled (N 18 O 2 ) 3 -TATB confirms at least some of the oxygen comes from the nitro-groups.…”