Computational modelling of oxide surface tensions in secondary metallurgy and continuous casting

E.-P. Heikkinen (Corresponding Author), J. Riipi, T. Fabritius, Risto Pajarre, Pertti Koukkari

Research output: Contribution to journalArticleScientificpeer-review

6 Citations (Scopus)

Abstract

Two computational models were used to estimate the surface tensions of oxide systems containing SiO2, CaO, Na2O and Al2O3 as a function of temperature and composition. The compositions of the oxide melts were chosen to correspond to those of ladle slags in secondary metallurgy and to casting powders in continuous casting of steel. The first model uses Butler's equation to calculate the surface tensions of the multicomponent melts and is based on Tanaka et al.'s consideration of the ionic radii of the components as well as surface tensions and molar volumes of pure components. In the second model the same ionic radii dependent contribution is applied as activity coefficients to a constrained free energy model where the surface layer is considered as a separate phase in the system. In the model, the constrained interfacial area is analogous with a component mass balance in a traditional computation of a multiphase chemical equilibrium and surface energy with the corresponding chemical potential. Based on the results it is concluded that the effect of temperature on the surface tensions of the considered oxide melts is insignificant when compared to the effect of chemical composition. According to the validation the results agree well with published surface tension data. The multi‐component surface tension approach provides a practical method for evaluation of e.g. functioning of various casting powders in industrial steel casting practice.
Original languageEnglish
Pages (from-to)959-964
Number of pages6
JournalSteel Research International
Volume81
Issue number11
DOIs
Publication statusPublished - 2010
MoE publication typeA1 Journal article-refereed

Fingerprint

metallurgy
Continuous casting
Metallurgy
Oxides
Surface tension
interfacial tension
oxides
Powders
Casting
Chemical analysis
steels
Steel castings
radii
Steel
Chemical potential
slags
mass balance
Activity coefficients
Interfacial energy
Density (specific gravity)

Keywords

  • Surface tension
  • Butler equation
  • slag
  • oxide

Cite this

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title = "Computational modelling of oxide surface tensions in secondary metallurgy and continuous casting",
abstract = "Two computational models were used to estimate the surface tensions of oxide systems containing SiO2, CaO, Na2O and Al2O3 as a function of temperature and composition. The compositions of the oxide melts were chosen to correspond to those of ladle slags in secondary metallurgy and to casting powders in continuous casting of steel. The first model uses Butler's equation to calculate the surface tensions of the multicomponent melts and is based on Tanaka et al.'s consideration of the ionic radii of the components as well as surface tensions and molar volumes of pure components. In the second model the same ionic radii dependent contribution is applied as activity coefficients to a constrained free energy model where the surface layer is considered as a separate phase in the system. In the model, the constrained interfacial area is analogous with a component mass balance in a traditional computation of a multiphase chemical equilibrium and surface energy with the corresponding chemical potential. Based on the results it is concluded that the effect of temperature on the surface tensions of the considered oxide melts is insignificant when compared to the effect of chemical composition. According to the validation the results agree well with published surface tension data. The multi‐component surface tension approach provides a practical method for evaluation of e.g. functioning of various casting powders in industrial steel casting practice.",
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Computational modelling of oxide surface tensions in secondary metallurgy and continuous casting. / Heikkinen, E.-P. (Corresponding Author); Riipi, J.; Fabritius, T.; Pajarre, Risto; Koukkari, Pertti.

In: Steel Research International, Vol. 81, No. 11, 2010, p. 959-964.

Research output: Contribution to journalArticleScientificpeer-review

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AU - Heikkinen, E.-P.

AU - Riipi, J.

AU - Fabritius, T.

AU - Pajarre, Risto

AU - Koukkari, Pertti

PY - 2010

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N2 - Two computational models were used to estimate the surface tensions of oxide systems containing SiO2, CaO, Na2O and Al2O3 as a function of temperature and composition. The compositions of the oxide melts were chosen to correspond to those of ladle slags in secondary metallurgy and to casting powders in continuous casting of steel. The first model uses Butler's equation to calculate the surface tensions of the multicomponent melts and is based on Tanaka et al.'s consideration of the ionic radii of the components as well as surface tensions and molar volumes of pure components. In the second model the same ionic radii dependent contribution is applied as activity coefficients to a constrained free energy model where the surface layer is considered as a separate phase in the system. In the model, the constrained interfacial area is analogous with a component mass balance in a traditional computation of a multiphase chemical equilibrium and surface energy with the corresponding chemical potential. Based on the results it is concluded that the effect of temperature on the surface tensions of the considered oxide melts is insignificant when compared to the effect of chemical composition. According to the validation the results agree well with published surface tension data. The multi‐component surface tension approach provides a practical method for evaluation of e.g. functioning of various casting powders in industrial steel casting practice.

AB - Two computational models were used to estimate the surface tensions of oxide systems containing SiO2, CaO, Na2O and Al2O3 as a function of temperature and composition. The compositions of the oxide melts were chosen to correspond to those of ladle slags in secondary metallurgy and to casting powders in continuous casting of steel. The first model uses Butler's equation to calculate the surface tensions of the multicomponent melts and is based on Tanaka et al.'s consideration of the ionic radii of the components as well as surface tensions and molar volumes of pure components. In the second model the same ionic radii dependent contribution is applied as activity coefficients to a constrained free energy model where the surface layer is considered as a separate phase in the system. In the model, the constrained interfacial area is analogous with a component mass balance in a traditional computation of a multiphase chemical equilibrium and surface energy with the corresponding chemical potential. Based on the results it is concluded that the effect of temperature on the surface tensions of the considered oxide melts is insignificant when compared to the effect of chemical composition. According to the validation the results agree well with published surface tension data. The multi‐component surface tension approach provides a practical method for evaluation of e.g. functioning of various casting powders in industrial steel casting practice.

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