Experimental and density functional theory studies on size-dependent adsorption behavior of CaO nanoparticles on Al2O3 in liquid steel

The properties of particles in nano-scale has been found significantly different, whereas the reaction mechanisms and adsorption behaviors of nanoparticles in liquid steel under high temperature are still not fully clarified due to the experimental difficulties. In this study, in-situ experiments and density functional theory calculations were adopted to reveal the differences of adsorption phenomenon between Al2O3 inclusions and CaO particles of different sizes. It is concluded that the adsorption speed and bond strength be-tween CaO and Al2O3 are both larger for CaO with smaller sizes. The surface of Al2O3 will become rough due to chemical adsorption of CaO, encouraging more Ca atoms to participate in the adsorption and thus accelerating the adsorption process. This work presents a new insight into the reactions concerning inclusion modification in liquid steel in nano -scale and also help create opportunities for the application of nano-materials in high -efficient smelting. (C) 2022 Published by Elsevier B.V.

Automated summary

This study uses in-situ experiments and density functional theory calculations to reveal the differences in adsorption phenomena between Al2O3 inclusions and different-sized CaO particles. It is found that smaller CaO particles have higher adsorption speed and bond strength with Al2O3. Chemical adsorption of CaO roughens the surface of Al2O3, encouraging more Ca atoms to participate in adsorption and accelerating the process. These findings provide new insights into inclusion modification reactions in nano-scale liquid steel and create opportunities for the application of nano-materials in high-efficiency smelting.