A novel molecular interaction chemical model (MICM) for silicate melts has been suggested based on statistical thermodynamics. It can simultaneously predict activities of all components in the CaO-FeO-SiO2 and CaO-Al2O3-SiO2 melts using only four binary parameters for each binary melt which can be determined by fitting activities of its two components. The results indicate that the predicted values of activity of FeO and SiO2 are in good agreement with the experimental data at 1823 K and 1873 K, and those of CaO, SiO2 and Al2O3 are in reasonable agreement with the graphical integration data of the Gibbs-Duhem equation. This shows that the model is effective in which the physical interaction plays a main role and the chemical one does the auxiliary function.
DAO Dong-Beng
. A novel molecular interaction chemical model for silicate melts[J]. Acta Metallurgica Sinica (English Letters), 2010
, 23(5)
: 381
-395
.
DOI: 10.11890/1006-7191-105-381
[1] A. Mclean,Metall Mater Trans37B (2006) 319.
[2] F.D. Richardson,Physical Chemistry of Melts in Metallurgy(Academic Press, Eng., 1974) p.158.
[3] H.A. Fine and D.R. Gaskell,Second International Symposium on Metallurgical Slags and Fluxes(The Metallurgical Society of AIME, PA, USA, 1984) p.3.
[4] Y. Waseda and J.M. Toguri,The Structure and Properties of Oxide Melts(World Scientific Publishing Co. Pte.Ltd. Singapore, 1998) p.67.
[5] D.P. Tao,Metall Mater Trans37B(2006) 1091.
[6] D.P. Tao,J Mater Sci Technol24(2008) 797.
[7] J.M. Prausnitz, R.N. Lichtenthaler and E.G.D. Azevedo, Molecular Thermodynamics of Fluid-Phase Equilibria(2nd ed.,Prentice-Hall Inc., Englewood Cliffs, NJ, 1986) p.293, 345, 308.
[8] D.P. Tao,Thermochim Acta363(2000) 105.
[9] C.J.B. Fincham and F.D. Richardson,Proc Roy Soc 223(1954) 40.
[10] M.B. Volf,Chemical Approach to Glass(Elsevier Science Publishers, Amsterdam, The Netherlands, 1984) p.118.
[11] Y.H. Chou and P.N. Chao,Scien Sin11(1962)1287.
[12] Y.X. Zhou (Y.H. Chou), J.C. Zhou, Y.S. Xu and P.N. Zhao, Acta Metall Sin18(1982) 127 (in Chinese).
[13] V.D. Eisenhuttenleute,Slag Atlas(Verlag Stahleisen m.b.H., Dusseldorf, 1981) p.148, 150, 163 (Translation in Chinese).
[14] V.V. Bondar, S.I. Lopatin and V.L. Stolyarova,Inorg Mater41(2005) 362.
[15] H. Fujita, Y. Iritani and S. Maruhashi,Iron and Steel (4)(1968) 99 (in Japanese).
[16] R.A. Sharma and F.D. Richardson,J Iron Steel Inst 198(1961) 386.
[17] E.T. Turkdogan,Physicochemical Properties of Molten Slags and Glasses(The Metals Society, London, UK, 1983) p.95,105.
[18] R.H. Rein and J. Chipman,Trans Metall Soc AIME 233(1965) 415.
[19] K. Morita, K. Kume and N. Sano,ISIJ Int40 (2000) 554.
[20] K. Kume, K. Morita, T. Miki and N. Sano,ISIJ Int 40(2000) 561.
[21] A.D. Pelton and M. Blander,Metall Trans B17B (1986) 805.
WeChat