E. V. Dyul’dina, B. R. Gelchinski, V. N. Selivanov
ABSTRACT
Based on the experimental data on the density, the molecular dynamics simulation of multicomponent oxide-fluoride metallurgical slag-forming systems: SiO2–CaO–Al2O3–MgO–CaF2–Na2O–K2O–FeO was carried out for the first time in the approximation of the ionic bond model. The results were discussed and compared with literary experimental and calculated data. The obtained model indicates a weak temperature dependence of the structure of the melt. An increased diffusion mobility of fluorine ions as well as ions of alkali metals in comparison with other elements has been revealed.
KEYWORDS
melt, metallurgical slag, computer simulation, structure, properties
DOI: 10.1134/S0235010618050055