Advanced kinetic tools for the evaluation of decomposition reactions

Roduit, B.; Borgeat, Ch.; Berger, B.; Folly, Patrick; Alonso, Beatriz; Aebischer, Jean-Nicolas; Stoessel, Francis

doi:10.1007/s10973-005-0641-6

Cited by 56 publications

(18 citation statements)

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“…Therefore, using AKTS-Thermokinetics software, the rate and the progress of the reactions can be predicted for the variety of temperature profiles such as isothermal, nonisothermal, stepwise, modulated temperature or periodic temperature variations, rapid temperature increase (temperature shock) and real atmospheric temperature profiles [12][13][14][15].…”

Section: Isoconversional Kinetics Analysismentioning

confidence: 99%

Thermolysis, nonisothermal decomposition kinetics, calculated detonation velocity and safety assessment of dihydroxylammonium 5, 5′-bistetrazole-1, 1′-diolate

Niu

Chen

Jin

et al. 2016

J Therm Anal Calorim

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Thermal decomposition study of dihydroxylammonium 5,5 0 -bistetrazole-1,1 0 -diolate (TKX-50) was investigated by using TG-DTG and TG-IR-MS and found that N 2 , N 2 O, NH 3 and H 2 O were the main products during the decomposition process. The kinetic parameters (Ea = 138.96 kJ mol -1 and A = 10 12.93 s -1 ) for thermal decomposition reaction of TKX-50 were obtained from DSC profile by differential method and integral method, and the nonisothermal kinetic equation of the exothermic process was da=dT ¼ ð10 12:93 =bÞ3ð1 À aÞ½À lnð1 À aÞ 2=3 expðÀ1:6713 Â 10 4 =TÞ; suggesting that the main exothermic decomposition reaction mechanism of TKX-50 was classified as Avrami-Erofeev equation. In addition, the theoretical detonation velocity (D = 8804 m/s) of TKX-50 at 298.15 K was calculated by a simple method. Finally, the safety parameters of TKX-50 (25 kg) including time to maximum rate under adiabatic conditions and self-accelerating decomposition temperature were calculated to be 142.12 and 129.01°C by using AKTS software.

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Section: Isoconversional Kinetics Analysismentioning

confidence: 99%

Thermolysis, nonisothermal decomposition kinetics, calculated detonation velocity and safety assessment of dihydroxylammonium 5, 5′-bistetrazole-1, 1′-diolate

Niu

Chen

Jin

et al. 2016

J Therm Anal Calorim

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“…This method is based on differential kinetic law and therefore it can be used with results from scanning or isothermal tests. 19) The Freidman approach also permits the prediction of thermal behavior for a system under various conditions, and the dependence of Ea() on  for the generation of N2O from AND decomposition as determined from TG-DTA-MS nonisothermal measurements using the Friedman method is shown in Fig. 4.…”

Section: Evolved Gas and Kinetics Analysismentioning

confidence: 99%

Kinetics Analysis of the Initial Decomposition Reaction of Ammonium Dinitramide

Izato

Habu

Miyake

2016

AEROSPACE TECHNOLOGY JAPAN

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The condensed phase decomposition reactions of ADN were investigated both experimentally and theoretically. Thermogravimetric-differential thermal analysis coupled with mass spectrometry (TG-DTA-MS) was employed to generate Friedman plots for the thermal decomposition of ADN with the evolution of N2O and N2. The activation energy associated with the evolution of N2O during initial decomposition was found to be 150 kJ/mol. Chemical equilibrium calculations based on the reaction N(NO2)2 , even at the decomposition temperature of 130 °C. Thus, molten ADN was found to contain primarily N(NO2)2 and NH4 + with only minor amounts of liquid HN(NO2)2 and NH3. The reaction ADN → N2O + NH4NO3 was also investigated using ab-initio calculations at the CBS-QB3//B97XD/6-311++G(d,p) level. It was determined that four reaction pathways are possible via different transition states. The energy barrier of 161 kJ/mol obtained from these calculations agreed with the experimental value.

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“…Calculations with AKTS software require at least three curves from the experiments at three different reaction rates. Details about the parameters involved during baseline optimization can be found in the literature [16][17][18][19].…”

Section: Thermokinetics Study Of Solid Coatingsmentioning

confidence: 99%