Tetrazole combustion

Лесникович, А. И.; Printsev, G. V.; Ивашкевич, Олег А.; Lyutsko, V. A.; Kovalenko, K. K.

doi:10.1007/bf00755492

Cited by 5 publications

(2 citation statements)

References 3 publications

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“…The final products of combustion HCN, H 2 , and N 2 were proposed to match the measured burning surface temperature. These findings agree well with the results of Lesnikovich et al The authors analyzed the products of TZ combustion using mass spectrometry and found HCN, H 2 , and N 2 to be the most abundant ones.…”

Section: Introductionsupporting

confidence: 91%

“…Nitrogen-rich heterocycles and their derivatives have recently attracted considerable attention as promising environmentally friendly energetic compounds. − Among them, tetrazole (TZ) is of significant interest for combustion chemistry − due to its high heat of formation, thermal stability, and high nitrogen content. TZ is a widely used building block for a huge family of novel high-energy compounds. − Apart from this, the electron-donating nitrogen atoms in the TZ ring can bind to various metal ions, forming stable complexes.…”

Section: Introductionmentioning

confidence: 99%

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Tautomerism and Thermal Decomposition of Tetrazole: High-Level ab Initio Study

2011

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The mutual interconversion and decomposition reactions of four tetrazole isomers (1H-TZ, 2H-TZ, 5H-TZ, and an N-heterocyclic carbene 14H) have been studied theoretically using the W1 high-level procedure. Computations allowed resolution of the existing discrepancies in the mechanism and key intermediates of TZ thermolysis. The tautomeric equilibria between 1H-TZ, 2H-TZ, and 14H turned out to play a very important role in the mechanism of thermal decomposition. Although the barriers of monomolecular tautomeric transformations were found to be high (∼50-70 kcal/mol), the concerted double H atom transfer reactions in the H-bonded complexes of TZ tautomers have profoundly lower barriers (∼18-28 kcal/mol). These reactions lead to fast interconversion between 1H-TZ, 2H-TZ, and 14H. The carbene 14H has never been considered before; however, it was predicted to be a key intermediate in the mechanism of thermal decomposition of TZ. For all species considered, the unimolecular reactions of N(2) elimination were predicted to dominate over the elimination of hydrazoic acid. In agreement with existing experimental data, the effective activation energy of thermolysis was calculated to be 36.2 kcal/mol.

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Section: Introductionsupporting

confidence: 91%

Section: Introductionmentioning

confidence: 99%

Tautomerism and Thermal Decomposition of Tetrazole: High-Level ab Initio Study

2011

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Regularities of the high-temperature transformation of poly-2-methyl-5-vinyltetrazole and solid fuel compositions based on it in the nitrogen atmosphere

Volkova

Дашко²,

Zholudev

et al. 2021

J. Phys.: Conf. Ser.

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Macrokinetic regularities of high-temperature transformations of energy compositions based on poly-2-methyl-5-vinyltetrazole as an active binder have been studied. It has been shown that, in contrast to synthetic rubber, which is currently used in solid rocket fuel, poly-2-methyl-5-vinyltetrazole when added to the energy compositions based on high-nitrogen heterocycles leads to an increase in the burning rate of the fuel. The synergetic effect of the interaction between a binder and dispersant, manifested in an increase in the burning rate of the high-energy composition, reaches a maximum value when the mass ratio of the components in a binary mixture is 1:1.

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