Computer applications of thermodynamic databases to inclusion engineering

TitleComputer applications of thermodynamic databases to inclusion engineering
Publication TypeJournal Article
Year of Publication2004
AuthorsIn-Ho, JUNG, DECTEROV, SA, Pelton, DA
JournalISIJ international
KeywordsActivity coefficient, Calcium sulfide, Chromium addition, Computer aid, Database, Gibbs free energy, Interaction parameter, Iron steel industry, Molten slag, Molten steel, Non metallic inclusion, Review, Slag metal reaction, Steel refining, Thermodynamic model, thermodynamic properties

Computerized thermodynamic databases for solid and liquid steel, slags and solid oxide solutions, for large numbers of components, have been developed over the last two decades by critical evaluation/optimization of all available phase equilibrium and thermodynamic data. The databases contain parameters of models specifically developed for molten slags; liquid and solid steel; and solid oxide solutions such as spinels. With user friendly software, which accesses these databases, complex equilibria involving slag, steel, inclusions, refractories and gases simultaneously, can be calculated for systems with many components, over wide ranges of temperature, oxygen potential and pressure. In the present article, several case studies will be presented, illustrating applications to complex steelmaking processes such as: Ca injection processes (Fe-Ca-AI-O inclusion diagram), corrosion of refractories, Mn/Si deoxidation, Ti/Al deoxidation (Fe-Al-Ti-O inclusion diagram), spinel formation (Fe-Mg-Al-O inclusion diagram), (Ti,N)(N,C) inclusion formation, oxide metallurgy.