Modeling of Thermal Decomposition of TATB-Based Explosive for Safety Analysis

Journal Article · Thu Jul 22 04:00:00 EDT 2021 · Reaction Chemistry & Engineering

OSTI ID:1835704

Moore, Jason S. ^[1]; McClelland, Matthew A. ^[1]; Hsu, Peter C. ^[1]; Kahl, Evan M. ^[1]

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1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

We investigate and model the cook-off behavior of LX-17 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), TGA (Thermo-Gravimetric Analysis), and DSC (Differential Scanning Calorimetry) experiments under isothermal and ramped temperature profiles. The data were used to fit reaction rate parameters for proposed schemes in an ALE3D computational model. This model includes chemical reactions, thermo- and hydro-dynamics, and material properties, including thermal expansion, compressibility, and strength. These parameterizations were carried out utilizing a Python evolutionary optimization method on LLNL’s high-performance computing clusters. Additional experiments are being developed to further characterize and monitor decomposition intermediates to improve the model. Once experimentally validated, this model will be scalable to several applications involving LX-17. Furthermore, the optimization methodology developed herein should be applicable to other high explosive materials.

• Research Organization: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA)
• DOE Contract Number: AC52-07NA27344
• OSTI ID: 1835704
• Report Number(s): LLNL-JRNL--804045; 1006186
• Journal Information: Reaction Chemistry & Engineering, Journal Name: Reaction Chemistry & Engineering; ISSN 1006186
• Country of Publication: United States
• Language: English

Related Subjects

Chemistry - Chemical explosives
Explosive safety
ODTX
Reaction kinetics
TATB