Kinetics analysis of thermal decomposition of ammonium dinitramide (ADN)

Izato, Yu Ichiro; Koshi, Mitsuo; Miyake, Akira; Habu, Hiroto

doi:10.1007/s10973-016-5703-4

Cited by 40 publications

(19 citation statements)

References 37 publications

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“…The main decomposition products were similar in independent simulations at 2000 and 3000 K, which were NO 2 , NO, N 2 O, N 2 , H 2 , O 2 , H 2 O, H, and O. These gas products from our AIMD simulation were consistent with that obtained from previous experimental investigations [8][9][10][11][12]16]. The decomposition of ADN experienced a faster and deeper process when at 3000 K than that at 2000 K, as NO and N 2 was more commonly observed in all ten simulations at 3000 K. Besides, the observation of NO 3 − was attributed to the reactions of NO 2 +OH→NO 3 − +H, and NO 2 +N 2 O 2 →NO 3 − +N 2 O, which has been reported in previous experimental studies [9,10].…”

Section: A Unimolecular Decompositionsupporting

confidence: 90%

“…However, it should be noted that the proposed reactions in this report were completely different from that in other reports [11], which were (i) ADN→NH 3 +HN(NO 2 ) 2 and (ii) ADN→NH 3 +HNO 3 +N 2 O. Moreover, Izatoet et al [12] investigated the kinetics of thermal decomposition (30−350 • C) of ADN by employing the TG-DTA-MS-IR method and found that the main gases released were NH 3 , H 2 O, N 2 , NO, N 2 O, and NO 2 . In addition, Rahm and Brinck studied the thermal decomposition of ADN [16] based on the chemical modeling of molecular clusters, the computed results showed that the decomposition reaction of N−NO 2 breaking could be favored if there is a polarized coordination of N(NO 2 ) − by an NH 4 + and this reaction is the rate-determining step under atmospheric and low-pressure.…”

Section: Introductioncontrasting

confidence: 81%

“…In particular, thermal decomposition of solid ADN, including its initiation and combustion mechanisms, is essential for the improvement of the safety profile during its application and disposal, and could also provide valuable guidance regarding the development of energetic salts. Therefore, it is important to clearly understand the thermal decomposition of ADN at different external conditions, and a certain amount of relevant work [8][9][10][11][12][13][14][15][16][17][18] has been conducted so far. Specifically, by using thermomicroscopic (TM), thermogravimetric (TG), modulated differential scanning calorimetry (MDSC), and Fourier transform infrared (FTIR) methods, Lobbecke et al [8] studied the thermal decomposition and the associated gas release of ADN at temperature ranging from 20 • C to 275 • C. The results showed that ADN melted at 91.5 • C, followed by the exothermal decomposition finished at 200 • C. The main decomposition products were NH 4 NO 3 , H 2 O and N 2 O, meanwhile, other gases like NH 3 , NO 2 , NO, N 2 and O 2 were also detected.…”

Section: Introductionmentioning

confidence: 99%

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Hydrogen Promoted Decomposition of Ammonium Dinitramide: an ab initio Molecular Dynamics Study

Tan

Shi

et al. 2018

Chinese Journal of Chemical Physics

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Thermal decomposition of a famous high oxidizer ammonium dinitramide (ADN) under high temperatures (2000 and 3000 K) was studied by using the ab initio molecular dynamics method. Two different temperature-dependent initial decomposition mechanisms were observed in the unimolecular decomposition of ADN, which were the intramolecular hydrogen transfer and N−NO 2 cleavage in N(NO 2 ) − . They were competitive at 2000 K, whereas the former one was predominant at 3000 K. As for the multimolecular decomposition of ADN, four different initial decomposition reactions that were also temperature-dependent were observed. Apart from the aforementioned mechanisms, another two new reactions were the intermolecular hydrogen transfer and direct N−H cleavage in NH 4 + . At the temperature of 2000 K, the N−NO 2 cleavage competed with the rest three hydrogen-related decomposition reactions, while the direct N−H cleavage in NH 4 + was predominant at 3000 K. After the initial decomposition, it was found that the temperature increase could facilitate the decomposition of ADN, and would not change the key decomposition events. ADN decomposed into small molecules by hydrogen-promoted simple, fast and direct chemical bonds cleavage without forming any large intermediates that may impede the decomposition. The main decomposition products at 2000 and 3000 K were the same, which were NH 3 , NO 2 , NO, N 2 O, N 2 , H 2 O, and HNO 2 .

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Section: A Unimolecular Decompositionsupporting

confidence: 90%

Section: Introductioncontrasting

confidence: 81%

Section: Introductionmentioning

confidence: 99%

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Hydrogen Promoted Decomposition of Ammonium Dinitramide: an ab initio Molecular Dynamics Study

Tan

Shi

et al. 2018

Chinese Journal of Chemical Physics

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“…On heating linearly, first the sample melts at 366 K, and the molten ADN decomposes by evolving a range of gases including NO 2 , N 2 O, NO, N 2 , H 2 O, and NH 3 via complex multistep chemical processes with consecutive, concurrent, and competitive reaction schemes. [26][27][28][29] From the viewpoint of the overall thermal effect revealed using DSC, the reaction starts as an exothermic reaction due to the overall decomposition of the molten ADN and becomes an endothermic evaporation/decomposition of the in situ-produced ammonium nitrate (AN), 26,[30][31][32] as illustrated schematically in Fig. 1.…”

Section: Introductionmentioning

confidence: 99%

Kinetic analysis of overlapping multistep thermal decomposition comprising exothermic and endothermic processes: thermolysis of ammonium dinitramide

Muravyev

Koga

Meerov

et al. 2017

Phys. Chem. Chem. Phys.

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This study focused on kinetic modeling of a specific type of multistep heterogeneous reaction comprising exothermic and endothermic reaction steps, as exemplified by the practical kinetic analysis of the experimental kinetic curves for the thermal decomposition of molten ammonium dinitramide (ADN). It is known that the thermal decomposition of ADN occurs as a consecutive two step mass-loss process comprising the decomposition of ADN and subsequent evaporation/decomposition of in situ generated ammonium nitrate. These reaction steps provide exothermic and endothermic contributions, respectively, to the overall thermal effect. The overall reaction process was deconvoluted into two reaction steps using simultaneously recorded thermogravimetry and differential scanning calorimetry (TG-DSC) curves by considering the different physical meanings of the kinetic data derived from TG and DSC by P value analysis. The kinetic data thus separated into exothermic and endothermic reaction steps were kinetically characterized using kinetic computation methods including isoconversional method, combined kinetic analysis, and master plot method. The overall kinetic behavior was reproduced as the sum of the kinetic equations for each reaction step considering the contributions to the rate data derived from TG and DSC. During reproduction of the kinetic behavior, the kinetic parameters and contributions of each reaction step were optimized using kinetic deconvolution analysis. As a result, the thermal decomposition of ADN was successfully modeled as partially overlapping exothermic and endothermic reaction steps. The logic of the kinetic modeling was critically examined, and the practical usefulness of phenomenological modeling for the thermal decomposition of ADN was illustrated to demonstrate the validity of the methodology and its applicability to similar complex reaction processes.

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“…Furthermore, MS data allow the identification of the molecular weights of evolved gases, while IR spectra show the chemical structures. For these reasons, TG-MS and TG-IR studies have been widely conducted to investigate the reaction mechanisms of various energetic materials, including ADN and its mixtures [16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31]. Matsunaga et al [6,7,9] conducted a thermal analysis of ADN/MMAN/urea mixtures using differential scanning calorimetry (DSC), thermogravimetry-differential thermal analysis-infrared spectroscopy (TG-DTA-IR) and mass spectrometry (MS) and demonstrated that these materials decompose to generate various gases, including nitrous oxide (N2O), nitrogen dioxide (NO2), isocyanic aid (HNCO), ammonia (NH3), carbon dioxide (CO2) and water (H2O).…”

Section: Introductionmentioning

confidence: 99%

Thermal and evolved gas analyses of decomposition of ammonium dinitramide-based ionic liquid propellant using TG–DSC–HRTOFMS

Izato

Shiota

Satoh³

et al. 2019

J Therm Anal Calorim

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Thermal and evolved gas analyses were carried out to assess the decomposition of an ionic liquid propellant consisting of ammonium dinitramide (ADN), methylammonium nitrate (MMAN) and urea, using thermogravimetry-differential scanning calorimetry-high resolution time of flight mass spectrometry (TG-DSC-HRTOFMS). This technique simultaneously assesses the thermal and evolved gas behavior and is able to distinguish between products having similar massto-charge ratios, based on accurate mass determinations. ADN/MMAN and ADN/MMAN/urea mixtures were found to decompose to form NH3, H2O, HCN, CO, N2, CH2O, CH3NH2, HNCO, CO2, N2O and HNO3, and possible reaction schemes for the decomposition processes were developed. Interactions between ADN and MMAN appear to enhance the generation of N2, while the presence of urea reduces the net exothermic heat of reaction due to the endothermic pyrolysis reaction of urea to NH3 and HNCO, followed by the reaction HNCO + H2O → NH3 + CO2.

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Kinetics analysis of thermal decomposition of ammonium dinitramide (ADN)

Cited by 40 publications

References 37 publications

Hydrogen Promoted Decomposition of Ammonium Dinitramide: an ab initio Molecular Dynamics Study

Hydrogen Promoted Decomposition of Ammonium Dinitramide: an ab initio Molecular Dynamics Study

Kinetic analysis of overlapping multistep thermal decomposition comprising exothermic and endothermic processes: thermolysis of ammonium dinitramide

Thermal and evolved gas analyses of decomposition of ammonium dinitramide-based ionic liquid propellant using TG–DSC–HRTOFMS

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