Wasana Kowhakul
Department:
Engineering Education Research Center (ER Center)
Keywords:
Risk assessments of Chemical Materials, Chemical and Bio- Process Safety, Dust explosion, Airbag inflators
Email:
kowhakul.wasana.5a at kyoto-u.ac.jp
Wasana KOWHAKUL, a lecturer at the Kyoto University Graduate School of Engineering Education Research Center (ERcenter) since June 2022. I have studied on Risk assessments of Chemical Materials, Chemical and Bio- Process Safety & Dust explosion, Thermal behaviors of Airbag inflators and Safety engineering education.
(Example)
Thermal behaviors of Airbag inflator & Computational chemistry:
Energetic materials are an important class of materials. They have applications as explosives, as rocket and gun propellants in construction and mining, in emergency escape devices and automobile air bags, and in material synthesis. Mechanistic study of thermal decomposition has attracted interest from both chemical engineers and material scientists because it is essential to engineering design and fundamental to the design and optimization of materials.
Azoles, such as tetrazole and triazole, and their derivatives have high nitrogen content and density, good thermal stability, low impact sensitivity, high explosive volume, and low molecular weight. Because of these properties, they are used in both civil and military applications, such as explosives, propellants, and pyrotechnics. Several groups have performed theoretical and experimental studies to understand the thermal decomposition mechanism and stability criteria of different types of 1H,1,2,4-triazole (1Htri). However, the decomposition mechanisms are still poorly understood and the mechanisms proposed in the literature are not in agreement.
To introduce the overall thermal decomposition pathway models and simple correlations to predict TDSC of 1Htri with electron-donating substituents (-NH2 and -CH3). The TDSC value of each compound was determined from the change in the energy (ΔE) of the thermal decomposition pathway modeThe determined TDSC values of 1Htri, 1Htri-CH3, and 1Htri-NH2 were compared with the measured TDSC values considering two concepts: TDSC is correlated with bond cleavage of single bonds inside the ring and TDSC is correlated with rupture of the weakest bond and intramolecular proton transfer. These correlations can be used to computationally screen for new azole compounds because their thermal explosion hazard means that this is difficult experimentally. These correlations can also be used as a preliminary thermal analysis method and expedite the evaluation process of new energetic materials.