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Title: High pressure-high temperature phase diagram of an energetic crystal: Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50)

Raman spectroscopy was used to examine the high pressure-high temperature structural and chemical stability of an insensitive, high-performance energetic crystal – dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50). The phase diagram was determined over 8 GPa and (293-760) K. Under isobaric heating, the melting/decomposition of TKX-50 is preceded by a transformation to two consecutive high-temperature intermediates; a lower-temperature intermediate – diammonium 5,5’-bistetrazole-1,1'-diolate, and a higher-temperature intermediate – dihydroxylammonium 5,5'-bistetrazolate and/or diammonium 5,5'-bistetrazolate. Pressure strongly increases the transition temperatures for these transformations and subsequent decomposition. As a result, significant increase in the chemical stability of TKX-50 and intermediates with pressure was attributed to a suppression of hydrogen-transfer.
Authors:
 [1] ; ORCiD logo [2] ;  [1]
  1. Washington State Univ., Pullman, WA (United States)
  2. Washington State Univ., Pullman, WA (United States); U.S. Naval Research Lab., Washington, D.C. (United States)
Publication Date:
Grant/Contract Number:
NA0002007
Type:
Accepted Manuscript
Journal Name:
Chemical Physics Letters
Additional Journal Information:
Journal Volume: 679; Journal Issue: C; Journal ID: ISSN 0009-2614
Publisher:
Elsevier
Research Org:
Washington State Univ., Pullman, WA (United States). Inst. for Shock Physics
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP) (NA-10)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; high pressure; high temperature; high explosive; phase diagram; Raman spectroscopy; TKX-50
OSTI Identifier:
1363636
Alternate Identifier(s):
OSTI ID: 1415302

Dreger, Z. A., Breshike, C. J., and Gupta, Y. M.. High pressure-high temperature phase diagram of an energetic crystal: Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50). United States: N. p., Web. doi:10.1016/j.cplett.2017.05.019.
Dreger, Z. A., Breshike, C. J., & Gupta, Y. M.. High pressure-high temperature phase diagram of an energetic crystal: Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50). United States. doi:10.1016/j.cplett.2017.05.019.
Dreger, Z. A., Breshike, C. J., and Gupta, Y. M.. 2017. "High pressure-high temperature phase diagram of an energetic crystal: Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50)". United States. doi:10.1016/j.cplett.2017.05.019. https://www.osti.gov/servlets/purl/1363636.
@article{osti_1363636,
title = {High pressure-high temperature phase diagram of an energetic crystal: Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50)},
author = {Dreger, Z. A. and Breshike, C. J. and Gupta, Y. M.},
abstractNote = {Raman spectroscopy was used to examine the high pressure-high temperature structural and chemical stability of an insensitive, high-performance energetic crystal – dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50). The phase diagram was determined over 8 GPa and (293-760) K. Under isobaric heating, the melting/decomposition of TKX-50 is preceded by a transformation to two consecutive high-temperature intermediates; a lower-temperature intermediate – diammonium 5,5’-bistetrazole-1,1'-diolate, and a higher-temperature intermediate – dihydroxylammonium 5,5'-bistetrazolate and/or diammonium 5,5'-bistetrazolate. Pressure strongly increases the transition temperatures for these transformations and subsequent decomposition. As a result, significant increase in the chemical stability of TKX-50 and intermediates with pressure was attributed to a suppression of hydrogen-transfer.},
doi = {10.1016/j.cplett.2017.05.019},
journal = {Chemical Physics Letters},
number = C,
volume = 679,
place = {United States},
year = {2017},
month = {5}
}