Search

In this work, we explore the combustion mechanism of single micron-sized aluminum particles using a numerical model. The Burcat database and Catoire mechanism is considered as the thermodynamic data and the kinetic mechanism for our numerical model of aluminum combustion. Two independent experiments, including particle temperature profiles, ignition delay and burning time, are selected to evaluate the performance of the numerical model. The model shows great agreement for all considered properties. A parametric study is further conducted to identify the effect of involved physical parameters on the combustion process. The diffusion coefficient (D) of oxidizers and the activation energy of surface kinetics (Esurf) and evaporation coefficient (α) of aluminum impact the particle temperature the most. Burning time is most sensitive to the activation energy of surface kinetics (Esurf). The optical measurement in a solid propellant combustion indicates that the contact angle of the oxide cap on Al particle is between 10° and 20°. It is found that the selection of contact angle of the oxide cap significantly impacts the prediction of combustion time and residual of active aluminum. The current work highlights the importance of physical properties on the prediction of Al combustion, suggesting that more detailed evaluation from experiments and theory is encouraged.

Abstract Liquid organic hydrogen carriers (LOHCs) are considered promising carriers for large-scale H2 storage and transportation, among which the toluene-methylcyclohexane cycle has attracted great attention from industry and academia because of the low cost and its compatibility with the current infrastructure facility for the transportation of chemicals. The large-scale deployment of the H2 storage/transportation plants based on the toluene-methylcyclohexane cycle relies on the use of high-performance catalysts, especially for the H2 release process through the dehydrogenation of methylcyclohexane. In this work, we have developed a highly efficient catalyst for MCH dehydrogenation reaction by incorporating subnanometer PtFe clusters with precisely controlled composition and location within a rigid zeolite matrix. The resultant zeolite-encapsulated PtFe clusters exhibit the up-to-date highest reaction rate for dehydrogenation of methylcyclohexane to toluene, very high chemoselectivity to toluene (enabling the production of H2 with purity >99.9%), remarkably high stability (>2000 h) and regenerability over consecutive reaction-regeneration cycles.