Evolution of Carbon Clusters in the Detonation Products of the Triaminotrinitrobenzene (TATB)-Based Explosive PBX 9502

Watkins, Erik B.; Velizhanin, Kirill A.; Dattelbaum, Dana M.; Gustavsen, Richard L.; Aslam, Tariq D.; Podlesak, David W.; Huber, Rachel C.; Firestone, Millicent A.; Ringstrand, Bryan S.; Willey, Trevor M.; Bagge-Hansen, Michael; Hodgin, Ralph; Lauderbach, Lisa; van Buuren, Tony; Sinclair, Nicholas; Rigg, Paulo A.; Seifert, Soenke; Gog, Thomas

doi:10.1021/acs.jpcc.7b05637

Evolution of Carbon Clusters in the Detonation Products of the Triaminotrinitrobenzene (TATB)-Based Explosive PBX 9502

Journal Article · Tue Aug 15 00:00:00 EDT 2017 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.7b05637· OSTI ID:1400254

^[1]; Velizhanin, Kirill A. ^[2]; Dattelbaum, Dana M. ^[2]; Gustavsen, Richard L. ^[2]; Aslam, Tariq D. ^[2]; Podlesak, David W. ^[2]; Huber, Rachel C. ^[2]; ^[2]; Ringstrand, Bryan S. ^[2]; Willey, Trevor M. ^[3]; Bagge-Hansen, Michael ^[3]; Hodgin, Ralph ^[3]; Lauderbach, Lisa ^[3]; van Buuren, Tony ^[3]; Sinclair, Nicholas ^[4]; Rigg, Paulo A. ^[4]; Seifert, Soenke ^[5]; Gog, Thomas ^[5]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Institute for Shock Physics, Washington State University
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Washington State Univ., Pullman, WA (United States)
Argonne National Lab. (ANL), Lemont, IL (United States)

Here, the detonation of carbon-rich high explosives yields solid carbon as a major constituent of the product mixture and, depending on the thermodynamic conditions behind the shock front, a variety of carbon allotropes and morphologies may form and evolve. We applied time-resolved small angle x-ray scattering (TR-SAXS) to investigate the dynamics of carbon clustering during detonation of PBX 9502, an explosive composed of triaminotrinitrobenzene (TATB) and 5 wt% fluoropolymer binder. Solid carbon formation was probed from 0.1 to 2.0 μs behind the detonation front and revealed rapid carbon cluster growth which reached a maximum after ~200 ns. The late-time carbon clusters had a radius of gyration of 3.3 nm which is consistent with 8.4 nm diameter spherical particles and matched particle sizes of recovered products. Simulations using a clustering kinetics model were found to be in good agreement with the experimental measurements of cluster growth when invoking a freeze-out temperature, and temporal shift associated with the initial precipitation of solid carbon. Product densities from reactive flow models were compared to the electron density contrast obtained from TR-SAXS and used to approximate the carbon cluster composition as a mixture of 20% highly ordered (diamond-like) and 80% disordered carbon forms, which will inform future product equation of state models for solid carbon in PBX 9502 detonation product mixtures.

View Accepted Manuscript (DOE)

Research Organization:: Washington State Univ., Pullman, WA (United States). Institute for Shock Physics; Argonne National Laboratory (ANL), Argonne, IL (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0002442; AC02-06CH11357; AC52-07NA27344; AC52-06NA25396

OSTI ID:: 1400254

Report Number(s):: LA-UR--17-24690; LLNL-JRNL--746260

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 41 Vol. 121; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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