Abstract
Various aspects of the modeling of short-range order in binary and ternary solutions using the Bragg – Williams (random mixing), associate, and quasichemical models are examined. The models are compared with respect to their ability to predict properties of ternary solutions from optimized binary model parameters in the presence of short-range order. It is shown how introducing short-range order through the quasichemical model can explain the observed flattened shape of most miscibility gaps. The combination of the quasichemical model for nearest-neighbor short-range order with the Bragg – Williams model for the remaining lattice interactions is described.
References
[1] C.W.Bale, P.Chartrand, S.A.Decterov, G.Eriksson, K.Hack, R.Ben Mahfoud, J.Melançon, A.D.Pelton, S.Petersen: Calphad62 (2002) 189; http://www.factsage.comSearch in Google Scholar
[2] M.Notin, J.C.Gachon, J.Hertz: J. Chem. Thermodynamics14 (1982) 425.Search in Google Scholar
[3] F.Sommer, J.-J.Lee, B.Predel: Z. Metallkd.74 (1983) 100.Search in Google Scholar
[4] D.Kevorkov, R.Schmid-Fetzer, A.Pisch, F.Hodaj, C.Colinet: Z. Metallkd.92 (2001) 953.Search in Google Scholar
[5] V.Litovskii, M.Valishev, Y.Esin, P.Gel9d, M.Petrushevskii: Russ. J. Phys. Chem.60 (1986) 1385.Search in Google Scholar
[6] Y.-B.Kang, A.D.Pelton, P.Chartrand, C.D.Fuerst: submitted to Calphad (2007).Search in Google Scholar
[7] J.Murray: J. Phase Equilibria19 (1998) 380.10.1361/105497198770342120Search in Google Scholar
[8] R.Lück, U.Gerling, B.Predel: Z. Metallkd.80 (1989) 270.Search in Google Scholar
[9] R.H.Fowler, E.A.Guggenheim: Statistical Thermodynamics, Cambridge University Press, Cambridge, United Kingdom (1939) 350.Search in Google Scholar
[10] A.D.Pelton, M.Blander, in: H.A.Fine, D.R.Gaskell (Eds.), Proc. AIME Symposium on Metallurgical Slags and Fluxes, TMS-AIME, Warrendale, PA (1984) 281.Search in Google Scholar
[11] M.Blander, A.D.Pelton: Geochim. et Cosmochim. Acta51 (1987) 85.Search in Google Scholar
[12] A.D.Pelton, S.A.Decterov, G.Eriksson, C.Robelin, Y.Dessureault: Metall. Mater. Trans. B31 (2000) 651.Search in Google Scholar
[13] A.D.Pelton, P.Chartrand: Metall. Mater. Trans. A32 (2001) 1355.Search in Google Scholar
[14] B.Predel: Z. Metallkd.50 (1959) 663.10.1515/ijmr-1959-501106Search in Google Scholar
[15] J.P.Bros, in: I. Ansara, F. Ajersch (Eds.), Ph.D. thesis, Univ. Aix-Marseille, France (1968), J. Phase Equilibria 12 (1991) 73.Search in Google Scholar
[16] B.Predel, D.W.Stein: J. Less-Common Met.24 (1971) 159.Search in Google Scholar
[17] A.F.Kwong, Z.A.Munir: J. Less-Common Met.30 (1973) 387.Search in Google Scholar
[18] Y.-B.Kang, A.D.Pelton, unpublished results, École Polytechnique de Montréal (2007).Search in Google Scholar
[19] J.Gröbner, R.Schmid-Fetzer, A.Pisch, G.Cacciamani, P.Riani, N.Parodi, G.Borzone, A.Saccone, R.Ferro: Z. Metallkd.90 (1999) 872.Search in Google Scholar
[20] A.D.Pelton, in: C. Pistorius (Ed.), Proc. VII Int9l Conference on Molten Slags, Fluxes and Salts, South African Inst. Mining & Metallurgy, Johannesburg (2004) 607.Search in Google Scholar
[21] A.D.Pelton: Calphad25 (2001) 319.10.1016/S0364-5916(01)00052-9Search in Google Scholar
[22] A.D.Pelton, P.Chartrand: Metall. Mater. Trans. A32 (2001) 1409.Search in Google Scholar
[23] E.Ising: Z. Physik31 (1925) 253.10.1007/BF02980577Search in Google Scholar
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