TATB thermal decomposition: An improved kinetic model for explosive safety analysis

Moore, Jason S.; Morrison, Keith D.; Burnham, Alan K.; Racoveanu, Ana; Reynolds, John G.; Koroglu, Batikan; Coffee, Keith R.; Klunder, Greg L.

doi:10.1002/prep.202300237

TATB thermal decomposition: An improved kinetic model for explosive safety analysis

Journal Article · Wed Dec 20 00:00:00 EST 2023 · Propellants, Explosives, Pyrotechnics

DOI:https://doi.org/10.1002/prep.202300237· OSTI ID:2309840

^[1]; ^[1]; ^[1]; Racoveanu, Ana ^[1]; ^[1]; ^[1]; ^[1]; Klunder, Greg L. ^[1]

Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Here we investigate and model the cook–off behavior of 1,3,5–triamino–2,4,6–trinitrobenzene (TATB) to understand the response of explosive systems in abnormal thermal environments. Decomposition has been explored via conventional ODTX (one–dimensional time–to–explosion), PODTX (ODTX with pressure–measurement), PyGC–MS (pyrolysis gas chromatography mass spectrometry), TGA (thermo–gravimetric analysis), DSC (differential scanning calorimetry), and IR (infrared spectroscopy) experiments under isothermal and ramped temperature profiles. The data were used to fit rate parameters for proposed reaction schemes in a MATLAB thermo–chemical computational model. These parameterizations were carried out utilizing a genetic algorithm optimization method on LLNL's high–performance computing clusters, which enabled significant parallelization. These results include a multi–step reaction decomposition model, identification of likely autocatalytic gas–phase species, accurate high–temperature sensitization, and prediction of confined system pressurization. This model will be scalable to several applications involving TATB–based explosives, like LX–17, including thermal safety models of full–scale systems.

View Accepted Manuscript (DOE)

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:: 2309840

Alternate ID(s):: OSTI ID: 2459404
OSTI ID: 2246987

Report Number(s):: LLNL--JRNL-853838; 1080504

Journal Information:: Propellants, Explosives, Pyrotechnics, Journal Name: Propellants, Explosives, Pyrotechnics Journal Issue: 2 Vol. 49; ISSN 0721-3115

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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