On the Possibility of Autoxidation of TEX - A DFT Study

Date

2015-02-01

Author

Türker, Burhan Lemi
Varis, Serhat

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TEX is an explosive with interesting isowurtzitane cage structure. It exhibits successful explosion performance and good sensitivity. Herein, the tendency of TEX to form hydroperoxide structure under storage conditions was examined by density functional treatment. Additionally the possible decomposition products of the hydroperoxides were investigated. Moreover, the detonation performance values for TEX itself and two isomeric hydroperoxide derivatives were calculated. Detonation products and explosive power index values were investigated and the effect of O-2 molecule on sensitivity and detonation properties was studied.

Subject Keywords

TEX, Decomposition, Hydroperoxidation, Density functional calculations, Detonations, Explosives, Autoxidation

URI

https://hdl.handle.net/11511/56797

Journal

PROPELLANTS EXPLOSIVES PYROTECHNICS

DOI

https://doi.org/10.1002/prep.201400114

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker and S. Varis, “On the Possibility of Autoxidation of TEX - A DFT Study,” PROPELLANTS EXPLOSIVES PYROTECHNICS, pp. 81–87, 2015, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56797.