Crystal structure transformation and step-by-step thermal decomposition behavior of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate
The crystal structure transformation and step-by-step thermal decomposition behavior of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) under thermal stimulation were studied and the whole process included thermal expansion, primary decomposition and secondary decomposition. The thermal e...
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Veröffentlicht in: | RSC advances 2017-01, Vol.7 (77), p.4915-49113 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | The crystal structure transformation and step-by-step thermal decomposition behavior of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) under thermal stimulation were studied and the whole process included thermal expansion, primary decomposition and secondary decomposition. The thermal expansion and primary decomposition of TKX-50 were studied using
in situ
powder X-ray diffraction (
in situ
XRD) together with Rietveld refinement, by which the crystal structure transformation process can be accurately traced. The results showed that the thermal expansion of TKX-50 was anisotropic. In particular, the
a
-axis exhibited a negative thermal expansion (NTE) that may be attributed to the distortion of the six-membered ring, which results in H-transfer between the cation and dianion. The crystal structure of the intermediate product after primary decomposition was also obtained. The secondary decomposition process was analysed using thermogravimetric-differential scanning calorimetry (TG-DSC) due to the safety risk of TKX-50 analyzed by
in situ
XRD. The crystal structure transformation process from TKX-50 to the intermediate product under heat stimulation was deduced. Meanwhile, the morphological change of the whole process was obtained using hot stage microscopy (HSM). Combined with TG-FTIR technology, the gaseous decomposition products at each step were analysed and the thermal decomposition mechanism of TKX-50 was proposed. This study further reveals the thermal decomposition behavior of TKX-50 and is helpful for better understanding the thermal decomposition mechanism.
The crystal structure transformation and step-by-step thermal decomposition behavior of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) under thermal stimulation were studied. |
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ISSN: | 2046-2069 2046-2069 |
DOI: | 10.1039/c7ra08816g |