High pressure–temperature phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7)
Abstract
The pressure–temperature (P–T) phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7) was determined by in situ synchrotron infrared radiation spectroscopy with the resistively heated diamond anvil cell (DAC) technique. The stability of high-P–T FOX-7 polymorphs is established from ambient pressure up to 10 GPa and temperatures until decomposition. The phase diagram indicates two near isobaric phase boundaries at ~2 GPa (α → I) and ~5 GPa (I → II) that persists from 25 °C until the onset of decomposition at ~300 °C. In addition, the ambient pressure, high-temperature α → β phase transition (~111 °C) lies along a steep boundary (~100 °C/GPa) with a α–β–δ triple point at ~1 GPa and 300 °C. A 0.9 GPa isobaric temperature ramping measurement indicates a limited stability range for the γ-phase between 0.5 and 0.9 GPa and 180 and 260 °C, terminating in a β–γ–δ triple point. With increasing pressure, the δ-phase exhibited a small negative dT/dP slope (up to ~0.2 GPa) before turning over to a positive 70 °C/GPa slope, at higher pressures. The decomposition boundary (~55 °C/GPa) was identified through the emergence of spectroscopic signatures of the characteristic decomposition products as well as trapped inclusions within the solid KBr pressure media.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of Alabama at Birmingham, Birmingham, AL (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Univ. of Alabama at Birmingham, Birmingham, AL (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of Alabama, Birmingham, AL (United States); Carnegie Institution of Washington, Washington, D.C. (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1247670
- Alternate Identifier(s):
- OSTI ID: 1251192; OSTI ID: 1335458
- Report Number(s):
- LA-UR-15-26331
Journal ID: ISSN 1089-5639
- Grant/Contract Number:
- AC52-06NA25396; NA0002014; NA0002006
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
- Additional Journal Information:
- Journal Volume: 119; Journal Issue: 37; Journal ID: ISSN 1089-5639
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; high pressure; infrared spectroscopy; phase diagram; high explosive; hydrogen bonding; 36 MATERIALS SCIENCE
Citation Formats
Bishop, Matthew M., Velisavljevic, Nenad, Chellappa, Raja, and Vohra, Yogesh K. High pressure–temperature phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7). United States: N. p., 2015.
Web. doi:10.1021/acs.jpca.5b07811.
Bishop, Matthew M., Velisavljevic, Nenad, Chellappa, Raja, & Vohra, Yogesh K. High pressure–temperature phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7). United States. https://doi.org/10.1021/acs.jpca.5b07811
Bishop, Matthew M., Velisavljevic, Nenad, Chellappa, Raja, and Vohra, Yogesh K. Thu .
"High pressure–temperature phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7)". United States. https://doi.org/10.1021/acs.jpca.5b07811. https://www.osti.gov/servlets/purl/1247670.
@article{osti_1247670,
title = {High pressure–temperature phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7)},
author = {Bishop, Matthew M. and Velisavljevic, Nenad and Chellappa, Raja and Vohra, Yogesh K.},
abstractNote = {The pressure–temperature (P–T) phase diagram of 1,1-diamino-2,2-dinitroethylene (FOX-7) was determined by in situ synchrotron infrared radiation spectroscopy with the resistively heated diamond anvil cell (DAC) technique. The stability of high-P–T FOX-7 polymorphs is established from ambient pressure up to 10 GPa and temperatures until decomposition. The phase diagram indicates two near isobaric phase boundaries at ~2 GPa (α → I) and ~5 GPa (I → II) that persists from 25 °C until the onset of decomposition at ~300 °C. In addition, the ambient pressure, high-temperature α → β phase transition (~111 °C) lies along a steep boundary (~100 °C/GPa) with a α–β–δ triple point at ~1 GPa and 300 °C. A 0.9 GPa isobaric temperature ramping measurement indicates a limited stability range for the γ-phase between 0.5 and 0.9 GPa and 180 and 260 °C, terminating in a β–γ–δ triple point. With increasing pressure, the δ-phase exhibited a small negative dT/dP slope (up to ~0.2 GPa) before turning over to a positive 70 °C/GPa slope, at higher pressures. The decomposition boundary (~55 °C/GPa) was identified through the emergence of spectroscopic signatures of the characteristic decomposition products as well as trapped inclusions within the solid KBr pressure media.},
doi = {10.1021/acs.jpca.5b07811},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 37,
volume = 119,
place = {United States},
year = {Thu Aug 27 00:00:00 EDT 2015},
month = {Thu Aug 27 00:00:00 EDT 2015}
}
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Works referencing / citing this record:
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The new role of 1,1-diamino-2,2-dinitroethylene (FOX-7): two unexpected reactions
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