Thermodynamic model for deoxidation of liquid steel considering strong metal–oxygen interaction in the quasichemical model framework

Yong-Min Cho; Youn-Bae Kang

doi:10.1007/s12613-023-2766-7

Volume 31 Issue 5

May 2024

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Article Navigation > International Journal of Minerals, Metallurgy and Materials > 2024 > 31(5): 988-1002

Yong-Min Choand Youn-Bae Kang, Thermodynamic model for deoxidation of liquid steel considering strong metal–oxygen interaction in the quasichemical model framework, Int. J. Miner. Metall. Mater., 31(2024), No. 5, pp. 988-1002. https://doi.org/10.1007/s12613-023-2766-7

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Yong-Min Choand Youn-Bae Kang, Thermodynamic model for deoxidation of liquid steel considering strong metal–oxygen interaction in the quasichemical model framework, Int. J. Miner. Metall. Mater., 31(2024), No. 5, pp. 988-1002. https://doi.org/10.1007/s12613-023-2766-7

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Research Article

Thermodynamic model for deoxidation of liquid steel considering strong metal–oxygen interaction in the quasichemical model framework

Yong-Min Cho^{1, 2} and
Youn-Bae Kang^{1, 3,}

+ Author Affiliations

Corresponding author:
Youn-Bae Kang E-mail: ybkang@postech.ac.kr
Received: 18 July 2023; Revised: 13 October 2023; Accepted: 20 October 2023; Available online: 25 October 2023

Abstract

Abstract

Herein, a thermodynamic model aimed at describing deoxidation equilibria in liquid steel was developed. The model provides explicit forms of the activity coefficient of solutes in liquid steel, eliminating the need for the minimization of internal Gibbs energy preliminarily when solving deoxidation equilibria. The elimination of internal Gibbs energy minimization is particularly advantageous during the coupling of deoxidation equilibrium calculations with computationally intensive approaches, such as computational fluid dynamics. The model enables efficient calculations through direct embedment of the explicit forms of activity coefficient in the computing code. The proposed thermodynamic model was developed using a quasichemical approach with two key approximations: random mixing of metallic elements (Fe and oxidizing metal) and strong nonrandom pairing of metal and oxygen as nearest neighbors. Through these approximations, the quasichemical approach yielded the activity coefficients of solutes as explicit functions of composition and temperature without requiring the minimization of internal Gibbs energy or the coupling of separate programs. The model was successfully applied in the calculation of deoxidation equilibria of various elements (Al, B, C, Ca, Ce, Cr, La, Mg, Mn, Nb, Si, Ti, V, and Zr). The limitations of the model arising from these assumptions were also discussed.
- deoxidation equilibria;
- thermodynamics;
- quasichemical approach;
- computational fluid dynamics

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