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

Journal Article · · Chemical Physics Letters
 [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)

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.

Research Organization:
Washington State Univ., Pullman, WA (United States). Inst. for Shock Physics
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)
Grant/Contract Number:
NA0002007
OSTI ID:
1363636
Alternate ID(s):
OSTI ID: 1415302
Journal Information:
Chemical Physics Letters, Vol. 679, Issue C; ISSN 0009-2614
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 20 works
Citation information provided by
Web of Science

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Cited By (7)

Crystal structure transformation and step-by-step thermal decomposition behavior of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate journal January 2017
1T/2H multi-phase MoS 2 heterostructures: synthesis, characterization and thermal catalysis decomposition of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate journal January 2019
A study on the comprehension of differences in specific kinetic energy of TKX-50 and HMX from the perspective of gas products journal January 2019
Computational study of transition states for reaction path of energetic material TKX-50 journal January 2019
Stability of Dihydroxylammonium 5,5’‐Bistetrazole‐1,1’‐Diolate (TKX‐50) in Solvents journal May 2019
Fabrication of three-dimensional TKX-50 network-like nanostructures by liquid nitrogen-assisted spray freeze-drying method journal April 2019
Computational study of transition states for reaction path of energetic material TKX-50 text January 2019