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New thermal decomposition pathway for TATB

Journal Article · · Scientific Reports
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Abstract

Understanding the thermal decomposition behavior of TATB (1,3,5-triamino-2,4,6-trinitrobenzene) is a major focus in energetic materials research because of safety issues. Previous research and modelling efforts have suggested benzo-monofurazan condensation producing H 2 O is the initiating decomposition step. However, early evolving CO 2 (m/z 44) along with H 2 O (m/z 18) evolution have been observed by mass spectrometric monitoring of head-space gases in both constant heating rate and isothermal decomposition studies. The source of the CO 2 has not been explained, until now. 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. This finding has a significant bearing on decomposition computational models for prediction of energy release and deflagration to detonation transitions, with respect to conditions which currently do not recognize this oxidation step.

Research Organization:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Organization:
USDOE; USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
AC52-07NA27344
OSTI ID:
2228413
Alternate ID(s):
OSTI ID: 2301826
Report Number(s):
LLNL--JRNL-852686; 21256; PII: 47952
Journal Information:
Scientific Reports, Journal Name: Scientific Reports Journal Issue: 1 Vol. 13; ISSN 2045-2322
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United Kingdom
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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