A Gibbs Energy Minimization Approach for Modeling of Chemical Reactions in a Basic Oxygen Furnace

Ari Kruskopf, Ville-Valtteri Visuri

Research output: Contribution to journalArticleScientificpeer-review

10 Citations (Scopus)


In modern steelmaking, the decarburisation of hot metal is converted into steel primarily in converter processes, such as the basic oxygen furnace (BOF). The objective of this work was to develop a new mathematical model for top blown steel converter, which accounts for the complex reaction equilibria in the impact zone, also known as the hot spot, as well as the associated mass and heat transport. An in-house computer code of the model has been developed in Matlab. The main assumption of the model is that all the reactions take place in a specified reaction zone. The mass transfer between the reaction volume, bulk slag and metal determine the reaction rates for the species. The thermodynamic equilibrium is calculated using the partitioning of Gibbs energy (PGE) method. The activity model for the liquid metal is the unified interaction parameter (UIP) model and for the liquid slag the modified quasichemical model (MQM). The MQM was validated by calculating iso-activity lines for the liquid slag components. The PGE method together with the MQM was validated by calculating liquidus lines for solid components. The results were compared with measurements from literature. The full chemical reaction model was validated by comparing the metal and slag compositions to measurements from industrial scale converter. The predictions were found to be in good agreement with the measured values. Furthermore, the accuracy of the model was found to compare favourably with the models proposed in the literature. The real time capability of the proposed model was confirmed in test calculations.
Original languageEnglish
Pages (from-to)3281–3300
JournalMetallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science
Early online date31 Aug 2017
Publication statusPublished - Dec 2017
MoE publication typeA1 Journal article-refereed


  • steelmaking
  • basic oxygen furnace
  • mathematical modelling
  • thermodynamic equilibrium


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