University of Oulu

Kruskopf, A. & Visuri, VV. Metall and Materi Trans B (2017) 48: 3281.

A Gibbs energy minimization approach for modeling of chemical reactions in a basic oxygen furnace

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Author: Kruskopf, Ari1; Visuri, Ville-Valtteri2
Organizations: 1Research Group for Materials Processing and Powder Metallurgy, Department of Chemical and Metallurgical Engineering, Aalto University, Aalto, Finland
2Process Metallurgy Research Unit, University of Oulu, University of Oulu, Finland
Format: article
Version: accepted version
Access: open
Online Access: PDF Full Text (PDF, 4.5 MB)
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Language: English
Published: Springer Nature, 2017
Publish Date: 2018-08-31


In modern steelmaking, the decarburization of hot metal is converted into steel primarily in converter processes, such as the basic oxygen furnace. 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 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 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 favorably with the models proposed in the literature. The real-time capability of the proposed model was confirmed in test calculations.

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Series: Metallurgical and materials transactions. B, Process metallurgy and materials processing science
ISSN: 1073-5615
ISSN-E: 1543-1916
ISSN-L: 1073-5615
Volume: 48
Issue: 6
Pages: 3281 - 3300
DOI: 10.1007/s11663-017-1074-x
Type of Publication: A1 Journal article – refereed
Field of Science: 215 Chemical engineering
Funding: This work was partly funded by the Finnish Funding Agency for Technology and Innovation (TEKES). The research was carried out within the framework of the DIMECC SIMP research program.
Copyright information: © The Minerals, Metals & Materials Society and ASM International 2017. The final publication is available at Springer via