Project: A combined molecular dynamics – experimental investigation of oxidic slag structure and its properties

2023-11-01 – 2027-10-31

Abstract

Recycling and decarburizing current metallurgical processes is key for our planet’s future. For both recycling and decarburizing, electric furnaces will play an important role. To make this switch to electric furnaces, more fundamental understanding is an absolute prerequisite but still lacking. Specifically, more information on physical properties (e.g. electrical conductivity, viscosity, surface tension) of the slag phase, a mixture of metal oxides, is needed. The proposed research will investigate these oxidic slag physical properties with a combined modelling-experimental approach. Besides the experimental work at UGent (partially in collaboration with the University of Queensland (prof. Jak)), molecular dynamics simulations will be conducted for which I will collaborate with prof. Seveno (KU Leuven) and prof. Van Speybroeck (UGent). Specific attention will be given to a proper analysis of the simulations to evaluate the physical slag properties without making a priori assumptions such as independent ionic movement, which is common in literature, but incorrect. This will result in more extensive and accurate data for physical slag properties. Experimental validation will complement the modelling work. The information regarding the slag structure will be linked to the physical slag properties.