Tecnologia em Metalurgia, Materiais e Mineração
https://tecnologiammm.com.br/article/doi/10.4322/tmm.00304007
Tecnologia em Metalurgia, Materiais e Mineração
Artigo Original

MODELAGEM TERMODINÂMICA DE ESCÓRIAS CONTENDO Ti: SISTEMAS Al2O3-TiO2 E FeO-TiO2

THERMODYNAMIC MODELING OF Ti CONTAINING SLAGS: SYSTEMS Al2O3-TiO2 AND FeO-TiO2

Siqueira, Rogério Navarro C. de; Avillez, Roberto Ribeiro; Silva, André Luiz V. da C. e

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Resumo

No presente trabalho, é modelado o comportamento termodinâmico dos pseudo-binários Al2O3-TiO2 e FeO-TiO2. É empregada abordagem CALPHAD, sendo a fase escória descrita pelo modelo de Kapoor-Frohberg-Gaye e os óxidos sólidos tratados como estequiométricos. Todos os cálculos foram desenvolvidos com o programa Thermocalc. A energia de Gibbs dos óxidos duplos é corrigida e a energia de Gibbs do rutilo líquido (TiO2) modificada de forma a obter uma melhor concordância com dados da literatura. Tanto para o sistema Al2O3-TiO2, quanto para o sistema FeO-TiO2 os cálculos termodinâmicos concordam em nível quantitativo com os dados experimentais disponíveis até o presente momento.

Palavras-chave

Termodinâmica computacional, Modelo de Kapoor-Frohberg-Gaye, Escórias, Dióxido de titanio

Abstract

In the present work the thermodynamic behavior of the pseudo-binaries Al2O3-TiO2 and FeO-TiO2 is assessed. The CALPHAD approach is employed, the slag phase being described by the Kapoor-Frohberg-Gaye model and all solid oxides considered stoichiometric. All calculations were conducted with the Thermocalc software. The Gibbs energy of the mixed oxides received corrections and the Gibbs energy of liquid rutile was modified for a better agreement with published data. For both systems the calculations agreed quantitatively with the experimental information available until the present date.

Keywords

Computational thermodynamics, Slag, Kapoor-Frohberg-Gaye model, Titanium dioxide

Referências



1 COSTA E SILVA, A. Cálculos de equilíbrio em aciaria através da termodinâmica computacional. Tecnologia em Metalurgia e Materiais, v. 3, n. 1, p. 45-52, jul.-set. 2006.

2 COSTA E SILVA, A. Thermodynamic aspects of inclusion engineering in steels. Rare Metals, v. 25, n. 5, p. 1-8, 2006.

3 LEVENBERG, K. A method for the solution of certain problems in least squares. Quarterly Applied Mathematics, n. 2, p. 164 -168, 1984.

4 HILLERT, M. The compound energy model. Journal of Alloys and Compounds, v. 320, n.1, p. 161-176, 2001.

5 GAYE, H., Lehmann, J., Matsumia, T., Yamada, Y. Statistical thermodynamic model of slags: applications to systems containing S, F, P2O5 and Cr2O3. In: INTERNATIONAL CONFERENCE ON MOLTEN SLAGS AND FLUXES, 4., Sendai. Proceedings… ISIJ, 1992. p.103 -108.

6 GUGGENHEIM, E. A. Mixtures. London: Oxford University Press, 1992.

7 BERMANN R. G.; BROWN, T. H. Heat Capacity of minerals in the system Na2O-K2O-CaO-MgO-FeO-Fe2O3-Al2O3- SiO2-TiO2-H2O: representation, estimation, and high temperature extrapolation. Contributions to Mineralogy and Petrology, v. 89, n.2-3, p. 169-183, 1985.

8 KAPOOR, M., L.; FROHBERG M., G. Theroretical treatment of activities in silicate melts. Chemical metallurgy of iron and steel. London: The Iron and Steel Institute,1973. p. 17-22.

9 GAYE, H.; WELFRINGER, J. Modeling the thermodynamic properties of complex metallurgical slags. In: INTERNATIONAL SYMPOSION ON METALLURGICAL SLAGS AND FLUXES, 2. ed., 1984, Lake Tahoe, Nevada. Proceedings… TMS-AIME, 1984. p. 357-375.

10 SEIFERT, H. J.; KUSSMAUL, A.; ALDINGER, Phase equilibria and diffusion paths in the Ti-Al-O-N system. Journal of Alloys and Compounds, v. 317-318, p. 19-25, 2001.

11 GULAMOVA, D.; SARKISOVA, M. K. Reaction of Aluminium and Titanium oxides at high temperatures. Inorganic Materials, v. 25, n.5, p. 671-676, 1989.

12 LANG, S. M.; FILLIMORE, C. L.; MAXWELL, L. H. The system BeO-Al2O3-TiO2 – phase relations and general physical properties of 3-component porcelains. Journal of research of the National Bureau of standards, v. 48, n. 4, p. 298-312, 1952.

13 KATO, E.; DAIMON, K.; TAKAHASHI, T. Decomposition temperature of β-Al2TiO5. Journal of the American Ceramic Society, v. 63, n. 5-6, p. 355-356, 1980.

14 GOLDBERG, D. Contribution to the study of systems formed by Alumina and some oxides of trivalent and tetravalent metals specially Titanium oxide. Reveue Internationale des Hautes Temperatures et des Refractaires, v. 5, n.3, p. 181-194, 1968.

15 GRAU, A. E. Liquidus Temperatures in the TiO2-rich side of the FeO-TiO2 system. Canadian Metallurgical Quarterly, v. 18, n. 3, p. 313-322, 1979.

16 MACCHESNEY, J. B.; MUAN, A. Phase equilibria at liquidus temperatures in the system FeO – TiO2 at low oxygen pressures. The American Mineralogist, v. 46, p. 572-582, 1961.

17 SOMMERVILLE, I. D.; BELL, H. B. The behavior of titania in metallurgical slags. Canadian Metallurgical Quarterly, v. 21, n.2, p. 145-155, 1982.

18 SMITH, I. C., BELL, H. B. Thermodynamics of FeO-MnO-TiO2 melts saturated with iron at 1475oC. Journal of the Institute of Mining and Metallurgy, v. 6C, p. 55-59, 1971.

19 BAN-YA, S.; CHIBA, A.; HIKOSAKA, A. Thermodynamics of FeO-MxOy(MxOy = calcium oxide, silicon(IV) oxide, titanium(IV) oxide and aluminum oxide) binary melts in equilibrium with solid iron. Tetsu-to-Hagané, v. 66, n. 10, p. 1484-1493, 1980.

20 MERRIT, R. R.; TURNBULL, A. G. A solid state cell study of oxygen activity in the system Fe-O-Ti. Journal of Solid State Chemistry, v. 10, p. 252-259, 1974.

21 ERICKSON, G.; PELTON, A. Critical evaluation and optimization of the hermodynamic properties and phase diagrams of the MnO-TiO2, MgO-TiO2, FeO-TiO2, Ti2O3-TiO2, Na2O-TiO2, and K2O-TiO2 systems. Metallurgical ransactions, v. 24B, n. 5, p. 795-805, 1992.

22 CHASE, M. W., DAVIES, C. A., DOWNEY JUNIOR, J. R., MCDONALD, R.A.; SYVERUD, A. N.; VALENZUELA, E. A. JANAF Thermochemical Tables, journal of physical and chemical reference data. 3. ed. Washington: American Chemical Society, 1985.

23 BARIN, I.; KNACKE, O. Thermochemical properties of inorganic substances, Berlin: Springer-Verlag, 1973.

24 PLOOY, H.; PISTORIUS, P. C. Melting point determinations of TiO2-rich slag. Measurements Science Technology, v. 9, p. 1728-1736, 1998.

25 HILLERT, M. Thermodynamic modeling of phase diagrams – a call for increased generality. Pensylvania: AIME, 1986, p. 1-17.

26 KNACKE, O.; KUBASCHEWSKI, O.; HESSELMANN, K. Thermochemical properties of inorganic substances. Berlin: Springer - Verlag, 1991.

27 MILLS, K. C. Basicity and optical basicity of slags, in: Slag Atlas, 2. ed.., Verein Deutscher Eisenhüttenleute, Düsseldorf, 1995, p. 9-19.
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