Kinetics and Mechanism of Thermal Decomposition of Dinitramide

Kazakov, A. I.; Rubtsov, Yurii I.; Манелис, Г. Б.

doi:10.1002/(sici)1521-4087(199902)24:1<37::aid-prep37>3.0.co;2-9

Cited by 13 publications

(3 citation statements)

References 8 publications

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“…[5b] In addition to photocatalyzed decomposition of the dinitramide anion in aqueous solution, low stability in acids must be taken into account. [18,19] It is reported that the decomposition of HDN acid is catalyzed in 8 m sulfuric acid. In 10 m sulfuric acid the decomposition takes place within minutes.…”

Section: Synthesismentioning

confidence: 99%

A Smart Access to the Dinitramide Anion – The Use of Dinitraminic Acid for the Preparation of Nitrogen‐Rich Energetic Copper(II) Complexes

Gruhne¹,

Wurzenberger²,

Lommel³

et al. 2021

Chemistry A European J

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Dinitraminic acid (HN(NO 2 ) 2 , HDN) was prepared by ion exchange chromatography and acid-base reaction with basic copper(II) carbonate allowed the in situ preparation of copper(II) dinitramide, which was reacted with twelve nitrogen-rich ligands, for example, 4-amino-1,2,4-triazole, 1-methyl-5H-tetrazole, di(5H-tetrazolyl)-methane/-ethane/-propane/butane. Nine of the complexes were investigated by lowtemperature X-ray diffraction. In addition, all compounds were investigated by infrared spectroscopy (IR), differential thermal analysis (DTA), elemental analysis (EA) and thermogravimetric analysis (TGA) for selected compounds. Further-more, investigations of the materials were carried out regarding their sensitivity toward impact (IS), friction (FS), ball drop impact (BDIS) and electrostatic discharge (ESD). In addition, hot plate and hot needle tests were performed. Complex [Cu(AMT) 4 (H 2 O)](DN) 2 , based on 1-amino-5-methyltetrazole (AMT), is most outstanding for its detonative behavior and thus also capable of initiating PETN in classical initiation experiments. Laser ignition experiments at a wavelength of 915 nm were performed for all substances and solid-state UV-Vis spectra were recorded to apprehend the ignition mechanism.

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Section: Synthesismentioning

confidence: 99%

A Smart Access to the Dinitramide Anion – The Use of Dinitraminic Acid for the Preparation of Nitrogen‐Rich Energetic Copper(II) Complexes

Gruhne¹,

Wurzenberger²,

Lommel³

et al. 2021

Chemistry A European J

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“…Kazakov et al. investigated the kinetics of the thermal decomposition of ADN in sulfuric acid, nitric acid, and anhydrous acetic acid solutions and proposed the likely mechanism of the decomposition of dinitramide. Andreev et al.…”

Section: Introductionmentioning

confidence: 99%

Reactive Molecular Dynamics Study on the Effect of H₂O on the Thermal Decomposition of Ammonium Dinitramide

Zeng

Yang

et al. 2020

Propellants Explo Pyrotec

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Ammonium dinitramide (ADN) is a halogen-free green oxidizer, which is widely used in energetic materials because of its positive oxygen balance and low characteristic signal. However, ADN is easy to absorb moisture, which affects its storage and safety performances. It is of great significance to study the effect of water on its thermal decomposition mechanism. In this paper, the thermal decomposition processes of the ADN with water contents of 0 %, 1 %, 2 %, 5 %, and 10 % are simulated by large-scale reactive molecular dynamics simulations. The reaction pathway and the evolution of the main products are analyzed in detail. The results show that the ADN is not stable and decompose easily, namely ADN!NH 3 (NH 4) + HN 3 O 4 (N 3 O 4). The H 2 O has a significant effect on the thermal decomposition of the ADN. The water contents of 2 % and 5 % can better promote the decomposition of the ADN and the degree of decomposition is also more thorough.

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“…The reaction rate of the decomposition of ADN without any stabilizers is not constant but increases exponentially with time (in the beginning of the reaction) making the decomposition self‐accelerated or autocatalyzed [30]. Kinetic investigations indicated, that the interaction between ADN and its decomposition product HNO 3 catalyzes the decomposition [31].…”

Section: Introductionmentioning

confidence: 99%

Decomposition Pathways of Ammonium Dinitramide (ADN) and its HNO₃‐Clusters Elucidated by DFT‐Calculations

Lang

Bohn

2020

Propellants Explo Pyrotec

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Ammonium dinitramide (ADN) may serve as a ‘green’ oxidizer for rocket propellants since it provides chlorine free and minimum signature exhaust gases. However, stability issues and an erratic decomposition behaviour limit its non‐questionable general usability. Nitric acid (HNO3) is a decomposition product of ADN and is known to accelerate the decomposition autocatalytically. In this study, we investigate the effect of HNO3 on the initial decomposition steps of ADN via quantum chemical calculations based on density functional theory (DFT) in vacuo as well as in an aqueous solution. We establish and compare the reaction profiles of ADN, its anion DN− and its acid HDN as well as their HNO3‐clusters [NO3H_ADN], [NO3H_DN]− and [NO3H_HDN] towards the products NO2, HNO3 and N2O. All species exhibit various isomers with distinct decomposition pathways. We complement our study by investigating the protonated, cationic species [H_ADN]+, which may form in a low pH regime. The HNO3 clusters reveal modulated energy barriers and in part altered decomposition pathways in comparison to the free DN−, HDN, and ADN species. The altered pathways include the formation of reactive intermediates (such as H2NO3+) as well as the formation of two HNO3 molecules starting from one HNO3 molecule, hinting at accelerated decomposition of ADN due to interaction with HNO3.

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Kinetics and Mechanism of Thermal Decomposition of Dinitramide

Cited by 13 publications

References 8 publications

A Smart Access to the Dinitramide Anion – The Use of Dinitraminic Acid for the Preparation of Nitrogen‐Rich Energetic Copper(II) Complexes

A Smart Access to the Dinitramide Anion – The Use of Dinitraminic Acid for the Preparation of Nitrogen‐Rich Energetic Copper(II) Complexes

Reactive Molecular Dynamics Study on the Effect of H₂O on the Thermal Decomposition of Ammonium Dinitramide

Decomposition Pathways of Ammonium Dinitramide (ADN) and its HNO₃‐Clusters Elucidated by DFT‐Calculations

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Kinetics and Mechanism of Thermal Decomposition of Dinitramide

Cited by 13 publications

References 8 publications

A Smart Access to the Dinitramide Anion – The Use of Dinitraminic Acid for the Preparation of Nitrogen‐Rich Energetic Copper(II) Complexes

A Smart Access to the Dinitramide Anion – The Use of Dinitraminic Acid for the Preparation of Nitrogen‐Rich Energetic Copper(II) Complexes

Reactive Molecular Dynamics Study on the Effect of H2O on the Thermal Decomposition of Ammonium Dinitramide

Decomposition Pathways of Ammonium Dinitramide (ADN) and its HNO3‐Clusters Elucidated by DFT‐Calculations

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Product

Resources

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Reactive Molecular Dynamics Study on the Effect of H₂O on the Thermal Decomposition of Ammonium Dinitramide

Decomposition Pathways of Ammonium Dinitramide (ADN) and its HNO₃‐Clusters Elucidated by DFT‐Calculations