The molecular interaction vacancy model (MIVM) is used to estimate simultaneously activities of all components in a range of entire composition of six binary oxide solid solutions and the MnO-FeO-CaO ternary solid solution by their binary infinite dilute activity coefficients. The average errors are the 0.03%--5.0% for the binaries and the 4.11%--25.2% for the ternary which is less than that (4.84%--41.2%) of the sub-regular solution model (SRSM). This shows that MIVM is more effective and reliable than SRSM for the ternary and does not depend on a polynomial approximation with some ternary adjustable parameters.
DAO Dong-Beng
. Estimation of component activities in some oxide solid solutions by the molecular interaction vacancy model[J]. Acta Metallurgica Sinica (English Letters), 2011
, 24(6)
: 432
-442
.
DOI: 10.11890/1006-7191-116-432
[1] M. Hillert, J Alloys Compd 320 (2001) 161.
[2] M. Hillert, Phase Equilibria, Phase Diagrams and Phase Transformations , 2nd Ed. (Cambridge University Press, 2008)p.460.
[3] I.H. Jung, Calphad 34 (2010) 332.
[4] D.P. Tao, Thermochim Acta 408 (2003) 67.
[5] D.P. Tao, Mater Sci Eng A 366 (2004) 239.
[6] D.P. Tao, Mater Sci Eng A 390 (2005) 70.
[7] A. Munster, Statistical Thermodynamics (vol. II,Academic Press, New York, 1974) p.328, 641.
[8] 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.
[9] M.B. Volf, Chemical Approach to Glass (Elsevier Science Publishers, Amsterdam, The Netherlands, 1984) p.118, 131.
[10] K.T. Jacob, S. Srikanth and G.N.K. Iyengar, Bull Mater Sci 8 (1986) 71.
[11] K.T. Jacob and L. Rannesh, Mater Sci Eng B 140 (2007) 53.
[12] P. Wu, G. Eriksson and A.D. Pelton, J Am Ceram Soc 76 (1993) 2065.
[13] A.R. Serrano and A.D. Pelton, ISIJ Inter 39 (1999) 399.
[14] G. Rog and A. Kozlowska-Rog, J Chem Therm 29 (1997) 305.
[15] N. Tiberg and A. Muan, Metall Trans 1 (1970)435.
[16] H.K. Hardy, Acta Metall 1 (1953) 202.
[17] Y.M. Muggianu, M. Gambino and J.-P. Bros, J Chim Phys 72 (1965) 83.