Mechanism, Kinetics and Thermodynamics of Decomposition for High Energy Derivatives of [1,2,4]Triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine
This paper presents the data of research studies on the mechanisms, kinetics and thermodynamics of decomposition of three high-energy compounds: [1,2,4]triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine-3,6-diamine (TTDA), 3-amino-6-hydrazino[1,2,4]triazolo[4,3-<i>b</i>][1,2,4,5]tetraz...
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MDPI AG
2022-10-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/20/6966 |
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| author | Aleksandr V. Stankevich Svetlana G. Tolshchina Anna V. Korotina Gennady L. Rusinov Irina V. Chemagina Valery N. Charushin |
| author_facet | Aleksandr V. Stankevich Svetlana G. Tolshchina Anna V. Korotina Gennady L. Rusinov Irina V. Chemagina Valery N. Charushin |
| author_sort | Aleksandr V. Stankevich |
| collection | DOAJ |
| description | This paper presents the data of research studies on the mechanisms, kinetics and thermodynamics of decomposition of three high-energy compounds: [1,2,4]triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine-3,6-diamine (TTDA), 3-amino-6-hydrazino[1,2,4]triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine (TTGA) and 3,6-dinitroamino[1,2,4]triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine (DNTT). The points of change of the reaction mechanisms under thermal effects with different intensities from 0.1 to 2000 s<sup>−1</sup> have been established. The values of activation and induction energies for the limiting stages of decomposition have been obtained. The formation of nanostructured carbon nitride (α-C<sub>3</sub>N<sub>4</sub>) in condensed decomposition products, cyanogen (C<sub>2</sub>N<sub>2</sub>) and hydrogen cyanide (HCN) in gaseous products have been shown. Concentration-energy diagrams for the reaction products have been compiled. The parameters of heat resistance and thermal safety proved to be: 349.5 °C and 358.2 °C for TTDA; 190.3 °C and 198.0 °C for TTGA; 113.4 °C and 114.1 °C for DNTT. The energy and thermodynamic properties have also been estimated. This work found the activation energy of the decomposition process to be 129.0 kJ/mol for TTDA, 212.2 kJ/mol for TTGA and 292.2 kJ/mol for DNTT. The average induction energy of the catalytic process (Ecat) for TTGA was established to be 21 kJ/mol, and for DNTT-1500–1700 kJ/mol. The induction energy of the inhibition process (Eing) of TTDA was estimated to be 800–1400 kJ/mol. |
| first_indexed | 2024-03-09T19:42:33Z |
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| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T19:42:33Z |
| publishDate | 2022-10-01 |
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| spelling | doaj.art-90533476674642f0a7a97a524d5d335c2023-11-24T01:34:55ZengMDPI AGMolecules1420-30492022-10-012720696610.3390/molecules27206966Mechanism, Kinetics and Thermodynamics of Decomposition for High Energy Derivatives of [1,2,4]Triazolo[4,3-<i>b</i>][1,2,4,5]tetrazineAleksandr V. Stankevich0Svetlana G. Tolshchina1Anna V. Korotina2Gennady L. Rusinov3Irina V. Chemagina4Valery N. Charushin5I.Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str., 22/20, 620108 Ekaterinburg, RussiaI.Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str., 22/20, 620108 Ekaterinburg, RussiaI.Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str., 22/20, 620108 Ekaterinburg, RussiaI.Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str., 22/20, 620108 Ekaterinburg, RussiaRussian Federal Nuclear Center, All-Russian Research Institute of Technical Physics (RFNC-VNIITF), Vasilieva Street 13, 456770 Snezhinsk, RussiaI.Ya. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str., 22/20, 620108 Ekaterinburg, RussiaThis paper presents the data of research studies on the mechanisms, kinetics and thermodynamics of decomposition of three high-energy compounds: [1,2,4]triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine-3,6-diamine (TTDA), 3-amino-6-hydrazino[1,2,4]triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine (TTGA) and 3,6-dinitroamino[1,2,4]triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine (DNTT). The points of change of the reaction mechanisms under thermal effects with different intensities from 0.1 to 2000 s<sup>−1</sup> have been established. The values of activation and induction energies for the limiting stages of decomposition have been obtained. The formation of nanostructured carbon nitride (α-C<sub>3</sub>N<sub>4</sub>) in condensed decomposition products, cyanogen (C<sub>2</sub>N<sub>2</sub>) and hydrogen cyanide (HCN) in gaseous products have been shown. Concentration-energy diagrams for the reaction products have been compiled. The parameters of heat resistance and thermal safety proved to be: 349.5 °C and 358.2 °C for TTDA; 190.3 °C and 198.0 °C for TTGA; 113.4 °C and 114.1 °C for DNTT. The energy and thermodynamic properties have also been estimated. This work found the activation energy of the decomposition process to be 129.0 kJ/mol for TTDA, 212.2 kJ/mol for TTGA and 292.2 kJ/mol for DNTT. The average induction energy of the catalytic process (Ecat) for TTGA was established to be 21 kJ/mol, and for DNTT-1500–1700 kJ/mol. The induction energy of the inhibition process (Eing) of TTDA was estimated to be 800–1400 kJ/mol.https://www.mdpi.com/1420-3049/27/20/6966energetic materialstetrazinesthermal decompositionkineticsdecomposition reaction products |
| spellingShingle | Aleksandr V. Stankevich Svetlana G. Tolshchina Anna V. Korotina Gennady L. Rusinov Irina V. Chemagina Valery N. Charushin Mechanism, Kinetics and Thermodynamics of Decomposition for High Energy Derivatives of [1,2,4]Triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine Molecules energetic materials tetrazines thermal decomposition kinetics decomposition reaction products |
| title | Mechanism, Kinetics and Thermodynamics of Decomposition for High Energy Derivatives of [1,2,4]Triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine |
| title_full | Mechanism, Kinetics and Thermodynamics of Decomposition for High Energy Derivatives of [1,2,4]Triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine |
| title_fullStr | Mechanism, Kinetics and Thermodynamics of Decomposition for High Energy Derivatives of [1,2,4]Triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine |
| title_full_unstemmed | Mechanism, Kinetics and Thermodynamics of Decomposition for High Energy Derivatives of [1,2,4]Triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine |
| title_short | Mechanism, Kinetics and Thermodynamics of Decomposition for High Energy Derivatives of [1,2,4]Triazolo[4,3-<i>b</i>][1,2,4,5]tetrazine |
| title_sort | mechanism kinetics and thermodynamics of decomposition for high energy derivatives of 1 2 4 triazolo 4 3 i b i 1 2 4 5 tetrazine |
| topic | energetic materials tetrazines thermal decomposition kinetics decomposition reaction products |
| url | https://www.mdpi.com/1420-3049/27/20/6966 |
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