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  • Author or Editor: Satoru Yoshino x
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Abstract  

1,2,4-triazole-3-one (TO) and guanidine nitrate (GN) have the potential to be used as alternative gas-generating agents. To obtain a better understanding of thermal decomposition properties of TO/GN mixtures, sealed cell differential scanning calorimetry, thermogravimetry–differential thermal analysis–infrared spectroscopy (TG–DTA–IR), and thermogravimetry–differential thermal analysis–mass spectrometry (TG–DTA–MS) were carried out. The endothermic peak and onset temperatures of TO/GN mixtures were lower than those of individual TO and GN. TG–DTA–IR and TG–DTA–MS showed that the mass of TO/GN mixtures decreased with heat generation and N2 evolved as the major gas during thermal decomposition. The interaction between TO and nitric acid from the dissociation of GN is proposed for the thermal decomposition of TO/GN mixtures.

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Abstract  

In order to obtain a better understanding of thermal substituent effects in 1,2,4-triazole-3-one (TO), the thermal behavior of 1,2,4-triazole, TO, as well as urazole and the decomposition mechanism of TO were investigated. Thermal substituent effects were considered using thermogravimetry/differential thermal analysis, sealed cell differential scanning calorimetry, and molecular orbital calculations. The onset temperature of 1,2,4-triazole was higher than that of TO and urazole. Analyses of evolved decomposition gases were carried out using thermogravimetry–infrared spectroscopy and thermogravimetry–mass spectrometry. The gases evolved from TO were determined as HNCO, HCN, N2, NH3, CO2, and N2O.

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Abstract  

In order to obtain a better understanding of the pyrolysis mechanism of urazole, molecular orbital (MO) calculations and evolved gas analysis were carried out. The MO calculations were performed using the density functional method (B3LYP) at the 6-311++G(d,p) levels by Gaussian 03. The geometrical structure of urazole and its tautomers were examined theoretically. Identification and real-time analysis of the gases evolved from urazole were carried out with thermogravimetry-infrared spectroscopy (TG-IR) and thermogravimetry-mass spectrometry (TG-MS). The evolved gases were identified as HNCO, N2, NH3, CO2, and N2O at 400 °C, but were different at other temperatures.

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