The effect of molecular structure on thermal stability, decomposition kinetics and reaction models of nitric esters

Yan, Qi‐Long; Künzel, Martin; Zeman, Svatopluk; Svoboda, Roman; Bartošková, Monika

doi:10.1016/j.tca.2013.05.032

Cited by 41 publications

(27 citation statements)

References 40 publications

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“…Natramines and their PBXs[46][47][48][49] Nitric esters[50] Tetrazole based compounds[52] Aromatic nitrocompounds [62] Azido triazine derivates (this paper) Ln (A) / min -1…”

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confidence: 99%

Multistep Thermolysis Mechanisms of Azido-s-triazine Derivatives and Kinetic Compensation Effects for the Rate-Limiting Processes

et al. 2015

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The decomposition kinetics and mechanisms of 2-amino-4,6,-diazido-s-triazine and its derivatives have been investigated using TG techniques and quantum chemical calculations. The kinetic compensation effect for their rate-limiting steps are found, which is compared with some other group of materials. It has been found that the activation energy of DAAT is about 99.7 kJ.mol -1 , which is much lower than those of the first decomposition steps of its analogues. The activation energy of the first step of DANT is much higher than the second one, while the third and fourth ones have almost the same activation energy (127.2 kJ.mol -1 ). The decomposition of DAAT does not follow any ideal model due to strong interaction of overlapped reactions. All four decomposition steps of DANT as well as the first step of TAHT follow the same A2 model. The first two steps of TANDAzT decomposition are controlled by a "phase boundary controlled" mechanism, while the third and fourth steps roughly follow a "two-dimensional diffusion" model. It has been found that the first step of DANT decomposition is featured by scission of NH-NO2 bond via HONO elimination, which is very similar to nitramine decomposition. Decomposition of DAAT and DANT are featured by azido group scission, and the latter is greatly affected by elimination of HONO. As a comparison, the rate-limiting decomposition step of nitramine is featured by the bond rupture of N-NO2, while it is O-NO2 for nitric esters and C-NO2 for aromatic nitrocompounds, following on different kinetic compensation lines. The rate-limiting steps for involved materials are scission of azido group.Under the effect of the other function groups, the isokinetic temperatures for azido group scission are almost identical while their reaction rates are quite different.

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“…Natramines and their PBXs[46][47][48][49] Nitric esters[50] Tetrazole based compounds[52] Aromatic nitrocompounds [62] Azido triazine derivates (this paper) Ln (A) / min -1…”

mentioning

confidence: 99%

Multistep Thermolysis Mechanisms of Azido-s-triazine Derivatives and Kinetic Compensation Effects for the Rate-Limiting Processes

et al. 2015

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“…The conversion degree of (EtCp) 2 Ni was evaluated on the basis of decreasing intensity of both peaks in order to avoid the error associated with possible occurrence of secondary processes. The conversion degree α was determined as (1) [22]:…”

Section: Methodsmentioning

confidence: 99%

Kinetic study of MOCVD of NiO films from bis‐(ethylcyclopentadienyl) nickel

Kondrateva

Mishin

Шахмин

et al. 2015

Phys. Status Solidi C

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NiO films were grown by metal‐organic chemical vapor deposition (MOCVD) using bis‐(ethylcyclopentadienyl) nickel [(EtCp)2Ni] and oxygen or ozone as precursors. The kinetic regularities of MOCVD processes were experimentally studied in the deposition temperature range 600‐820 K for the reaction systems: (EtCp)2Ni–O2–Ar and (EtCp)2Ni–O3–O2–Ar. The results obtained show that the deposition processes in the temperature range 600‐700 K are controlled by kinetics and the value of activation energy of the processes is 80±5 kJ·mol−1 in both cases. The growth process in the temperature region 700–840 K is controlled by mass transport. An introduction of ozone in the reaction gas phase led to nearly twofold decrease of deposition rate probably because of homogeneous reactions with (EtCp)2Ni. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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“…Table 3 displays a comparison of the kinetic parameters obtained from the Friedman analysis and Ozawa method. The average values and the confidence intervals [20] of E a Table 1 Conditions and results of the DSC tests at step (1) and step (2) of the "interruption and re-scanning" method. for the materials were obtained for the interval a = 0.1-0.8.…”

Section: Kinetic Analysismentioning

confidence: 99%

Research on the thermal history’s influence on the thermal stability of EHN and NC

Wang

Liu

et al. 2015

Thermochimica Acta

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The effect of molecular structure on thermal stability, decomposition kinetics and reaction models of nitric esters

Cited by 41 publications

References 40 publications

Multistep Thermolysis Mechanisms of Azido-s-triazine Derivatives and Kinetic Compensation Effects for the Rate-Limiting Processes

Multistep Thermolysis Mechanisms of Azido-s-triazine Derivatives and Kinetic Compensation Effects for the Rate-Limiting Processes

Kinetic study of MOCVD of NiO films from bis‐(ethylcyclopentadienyl) nickel

Research on the thermal history’s influence on the thermal stability of EHN and NC

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