Exploring Wettability of Liquid Iron on Refractory Oxides with the Sessile Drop Technique and Density Functional-Derived Hamaker Constants.

Macroscopic interactions of liquid iron and solid oxides, such as alumina, calcia, magnesia, silica, and zirconia, manifest the behavior and efficiency of high-temperature metallurgical processes. The oxides serve dual roles, both as components of refractory materials in submerged entry nozzles and also as significant constituents of nonmetallic inclusions in the melt. It is therefore crucial to understand the physicochemical interplay between the liquid and the oxides in order to address the nozzle clogging challenges and thereby optimize cast iron and steel production. This paper presents a methodology for describing these interactions by combining the materials' dielectric responses, computed within the density functional theory, with the Casimir-Lifshitz dispersion forces to generate Hamaker constants. The approach provides a comprehensive understanding of the wettability of iron against these refractory oxides, revealing the complex relation between the molecular and macroscopic properties. Our theoretically determined crystalline structures are confirmed by room-temperature X-ray diffraction, and the contact angles of liquid iron on the oxides are validated with a sessile drop system at a temperature of 1823 K. For comparison, we also present the wettability of the oxides by a liquid tin-bismuth alloy. The findings are essential in advancing the fundamental understanding of interfacial interactions in metallurgical science and pivotal in driving the development of more efficient and reliable steelmaking processes.