期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 121, 期 41, 页码 23129-23140出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.7b05637
关键词
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资金
- DOE-NNSA
- Dynamic Material Properties program
- Department of Energy, National Nuclear Security Administration [DE-NA0002442]
- DOE Office of Science [DE-AC02-06CH11357]
- LLNL [DE-AC52-07NA27344]
- DOE Office of Basic Energy Sciences
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 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and 5 wt % fluoropolymer binder. Solid carbon formation was probed froth 0.1 to 2.0 mu s behind the detonation front and revealed rapid carbon cluster growth which reached a maximum after similar to 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.
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