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

Abstract

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 willmore » inform future product equation of state models for solid carbon in PBX 9502 detonation product mixtures.« less

Authors:
ORCiD logo [1];  [1];  [1];  [1];  [1];  [1];  [1]; ORCiD logo [1];  [1];  [2];  [2];  [2];  [2];  [2];  [3];  [3];  [4];  [4]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  3. Washington State Univ., Pullman, WA (United States)
  4. Argonne National Lab. (ANL), Lemont, IL (United States)
Publication Date:
Research Org.:
Washington State Univ., Pullman, WA (United States). Inst. for Shock Physics; Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1400254
Alternate Identifier(s):
OSTI ID: 1435516
Report Number(s):
LA-UR-17-24690
Journal ID: ISSN 1932-7447; TRN: US1703103
Grant/Contract Number:
NA0002442; AC52-06NA25396
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 121; Journal Issue: 41; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

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, and Gog, Thomas. Evolution of Carbon Clusters in the Detonation Products of the Triaminotrinitrobenzene (TATB)-Based Explosive PBX 9502. United States: N. p., 2017. Web. doi:10.1021/acs.jpcc.7b05637.
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. Evolution of Carbon Clusters in the Detonation Products of the Triaminotrinitrobenzene (TATB)-Based Explosive PBX 9502. United States. doi:10.1021/acs.jpcc.7b05637.
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, and Gog, Thomas. Tue . "Evolution of Carbon Clusters in the Detonation Products of the Triaminotrinitrobenzene (TATB)-Based Explosive PBX 9502". United States. doi:10.1021/acs.jpcc.7b05637.
@article{osti_1400254,
title = {Evolution of Carbon Clusters in the Detonation Products of the Triaminotrinitrobenzene (TATB)-Based Explosive PBX 9502},
author = {Watkins, Erik B. and Velizhanin, Kirill A. and Dattelbaum, Dana M. and Gustavsen, Richard L. and Aslam, Tariq D. and Podlesak, David W. and Huber, Rachel C. and Firestone, Millicent A. and Ringstrand, Bryan S. and Willey, Trevor M. and Bagge-Hansen, Michael and Hodgin, Ralph and Lauderbach, Lisa and van Buuren, Tony and Sinclair, Nicholas and Rigg, Paulo A. and Seifert, Soenke and Gog, Thomas},
abstractNote = {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.},
doi = {10.1021/acs.jpcc.7b05637},
journal = {Journal of Physical Chemistry. C},
number = 41,
volume = 121,
place = {United States},
year = {Tue Aug 15 00:00:00 EDT 2017},
month = {Tue Aug 15 00:00:00 EDT 2017}
}

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