Liquid-phase decomposition mechanism of triaminoguanidinium azotetrazolate

Neeraj R. Kumbhakarna, Kaushal J. Shah, Arindrajit Chowdhury, Stefan Thynell

Research output: Contribution to conferencePaper

1 Citation (Scopus)

Abstract

The objective of this work is to analyze the decomposition of triaminoguanidinium azotetrazolate (TAGzT) in the liquid phase by using a combined experimental and computational approach. The experimental part involves the use of Fourier transform infrared (FTIR) spectroscopy and Time-of-flight mass spectrometry (ToFMS) analysis of TAGzT decomposition. N2, NH3, HCN, N2H4, and the 3-azido-1,2,4-triazol-4-ide anion were identified as products of decomposition. The computational approach is based on using quantum mechanics for confirming the identity of the species observed in experiments and for identifying elementary chemical reactions that form these species.

Original languageEnglish (US)
StatePublished - Jan 1 2015
Event10th Asia-Pacific Conference on Combustion, ASPACC 2015 - Beijing, China
Duration: Jul 19 2015Jul 22 2015

Other

Other10th Asia-Pacific Conference on Combustion, ASPACC 2015
CountryChina
CityBeijing
Period7/19/157/22/15

Fingerprint

liquid phases
Decomposition
decomposition
Liquids
Quantum theory
Fourier transform infrared spectroscopy
Anions
Mass spectrometry
quantum mechanics
Chemical reactions
chemical reactions
Negative ions
mass spectroscopy
infrared spectroscopy
anions
products
Experiments

All Science Journal Classification (ASJC) codes

  • Energy Engineering and Power Technology
  • Fuel Technology
  • Chemical Engineering(all)
  • Condensed Matter Physics

Cite this

Kumbhakarna, N. R., Shah, K. J., Chowdhury, A., & Thynell, S. (2015). Liquid-phase decomposition mechanism of triaminoguanidinium azotetrazolate. Paper presented at 10th Asia-Pacific Conference on Combustion, ASPACC 2015, Beijing, China.
Kumbhakarna, Neeraj R. ; Shah, Kaushal J. ; Chowdhury, Arindrajit ; Thynell, Stefan. / Liquid-phase decomposition mechanism of triaminoguanidinium azotetrazolate. Paper presented at 10th Asia-Pacific Conference on Combustion, ASPACC 2015, Beijing, China.
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Kumbhakarna, NR, Shah, KJ, Chowdhury, A & Thynell, S 2015, 'Liquid-phase decomposition mechanism of triaminoguanidinium azotetrazolate' Paper presented at 10th Asia-Pacific Conference on Combustion, ASPACC 2015, Beijing, China, 7/19/15 - 7/22/15, .

Liquid-phase decomposition mechanism of triaminoguanidinium azotetrazolate. / Kumbhakarna, Neeraj R.; Shah, Kaushal J.; Chowdhury, Arindrajit; Thynell, Stefan.

2015. Paper presented at 10th Asia-Pacific Conference on Combustion, ASPACC 2015, Beijing, China.

Research output: Contribution to conferencePaper

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AU - Kumbhakarna, Neeraj R.

AU - Shah, Kaushal J.

AU - Chowdhury, Arindrajit

AU - Thynell, Stefan

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AB - The objective of this work is to analyze the decomposition of triaminoguanidinium azotetrazolate (TAGzT) in the liquid phase by using a combined experimental and computational approach. The experimental part involves the use of Fourier transform infrared (FTIR) spectroscopy and Time-of-flight mass spectrometry (ToFMS) analysis of TAGzT decomposition. N2, NH3, HCN, N2H4, and the 3-azido-1,2,4-triazol-4-ide anion were identified as products of decomposition. The computational approach is based on using quantum mechanics for confirming the identity of the species observed in experiments and for identifying elementary chemical reactions that form these species.

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Kumbhakarna NR, Shah KJ, Chowdhury A, Thynell S. Liquid-phase decomposition mechanism of triaminoguanidinium azotetrazolate. 2015. Paper presented at 10th Asia-Pacific Conference on Combustion, ASPACC 2015, Beijing, China.