Abstract
Our earlier structural model for binary silicate melts and glasses is extended. More general expressions for the enthalpy and nonconfigurational entropy are given. Expressions for partial thermodynamic properties are derived. A least-squares optimization program permits all available thermodynamic and phase diagram data to be optimized simultaneously within experimental error limits. The model is extended from MO-SiO2 to M2O-SiO2 solutions. Data in acidic melts is well represented for the Na2O-SiO2 system. Examples of optimizations for the MnO-SiO2, CaO-SiO2, and Na2O-SiO2 systems are presented. The model is extended to include sulfide ion. Good predictions of sulfide capacities are obtained.
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P.L. Lin and A.D. Pelton:Metall. Trans. B, 1979, vol. 10B, pp. 667–75.
A.D. Pelton and M. Blander:Proc. 2nd Int. Symp. on Metallurgical Slags and Fluxes, TMS-AIME, Warrendale, PA, 1984, pp. 281–94.
A.D. Pelton and M. Blander:Metall. Trans. B, 1986, vol. 17B, pp. 805–15.
M. Blander and A.D. Pelton:Geochim. Cosmochim. Acta, 1987, vol. 51, pp. 85–95.
A.D. Pelton and G. Eriksson:Proc. 1st Int. Conf. on Advances in the Fusion of Glass, American Ceramic Society, Westerville, OH, 1988, pp. 27.1–29.11.
P. Wu, G. Eriksson, A.D. Pelton, and M. Blander:J. Iron Steel Inst. Jpn., 1993, vol. 33, pp. 25–34.
G. Eriksson, P. Wu, M. Blander, and A.D. Pelton:Can. Metall. Q., 1994, vol. 33, pp. 13–22.
P. Wu, G. Eriksson, and A.D. Pelton:J. Am. Ceram. Soc., 1993, vol. 76, pp. 2065–75.
P. Wu, G. Eriksson, and A.D. Pelton:J. Am. Ceram. Soc., 1993, vol. 76, pp. 2059–64.
G. Eriksson and A.D. Pelton:Metall. Trans. B, 1993, vol. 24B, pp. 807–16.
G. Eriksson and A.D. Pelton:Metall. Trans. B, 1993, vol. 24B, pp. 795–805.
G. Eriksson, P. Wu, and A.D. Pelton:CALPHAD, 1993, vol. 17, pp. 189–206.
P. Wu and A.D. Pelton:J. Alloys Compounds, 1992, vol. 179, pp. 259–87.
A.D. Pelton, G. Eriksson, and A. Romero-Serrano:Metall. Trans. B, 1992, vol. 24B, pp. 817–25.
A. Romero-Serrano: Ph.D. Thesis, Ecole Polytechnique, Montréal, 1992.
C.W. Bale and A.D. Pelton:Metall. Trans. B, 1983, vol. 14B, pp. 77–83.
A.D. Pelton and M. Blander:CALPHAD, 1988, vol. 12, pp. 97–108.
F.P. Glasser:Am. J. Sci., 1958, vol. 256, pp. 398–412.
E.L. Singleton, L. Carpenter, and R.V. Lundquist: U.S. Bureau of Mines Bull. 5938, U.S. Government Printing Office, Washington, DC, 1962, p. 31.
E.T. Turkdogan and R.A. Hancock:Bull. Inst. Mining Metall., 1958, vol. 621, pp. 573–600.
M.W. Davies: Ph.D. Thesis, Imperial College, London, 1955.
B.K.D.P. Rao and D.R. Gaskell:Metall. Trans. B, 1981, vol. 12B, pp. 311–17.
R.A. Robie, B.S. Hemingway, and J.R. Fisher:Thermodynamic Properties of Minerals and Related Substances at 298.15 K and 1 Bar (10 5 Pascals) Pressure and at Higher Temperatures, U.S. Government Printing Office, Washington, DC, 1978, p. 456.
G.A. Rankin and F.E. Wright:Am. J. Sci., 1915, vol. 39, pp. 1–79.
E. Osborn:J. Am. Ceram. Soc., 1943, vol. 26, pp. 321–32.
G. Troemel, W. Fix, and R. Heinke:Tonind Ztg. Keram. Rundschau, 1969, vol. 93, pp. 1–8.
J.W. Greig:Am. J. Sci., 1927, vol. 13, pp. 1–44 and 133–54;Am. J. Sci., 1927, vol. 14, pp. 473–84.
J.D. Tewhey and P.C. Hess:Phys. Chem. Glasses, 1979, vol. 20, pp. 41–53.
V.B.M. Hageman and H.A.J. Oonk:Phys. Chem. Glasses, 1986, vol. 27, pp. 194–98.
D.R.A. Kay and J. Taylor:Trans. Faraday Soc., 1960, vol. 56, pp. 1372–86.
R.H. Rein and J. Chipman:Trans. TMS-AIME, 1965, vol. 233, pp. 415–25.
P.T. Carter and T.G. Macfarlane:J. Iron Steel Inst. London, 1957, vol. 185, pp. 54–66.
R.A. Sharma and F.D. Richardson:J. Iron Steel Inst. London, 1962, vol. 200, pp. 373–79.
R.G. Berman and T.H. Brown:Contrib. Miner. Petrol., 1985, vol. 89, pp. 168–83.
R.G. Berman and T.H. Brown:Contrib. Miner. Petrol., 1986, vol. 94, p. 262.
I. Barin:Thermochemical Data of Pure Substances, VCH, Weinheim, 1989.
I. Barin, O. Knacke, and O. Kubaschewski:Thermochemical Properties of Inorganic Substances, Springer-Verlag, Berlin, 1977.
M. Blander:Molten Salt Chemistry, Interscience, New York, NY, 1964, pp. 128–30.
F.C. Kracek:J. Phys. Chem., 1930, vol. 34, pp. 1583–98.
F.C. Kracek:J. Am. Chem. Soc., 1939, vol. 61, pp. 2863–77.
J. D’Ans and J. Loeffler:Z. Anorg. Allg. Chem., 1930, vol. 191, pp. 1–34.
J. Williamson and F.P. Glasser:Science, 1965, vol. 148, pp. 1589–91.
D.A. Neudorf and J.F. Elliott:Metall. Trans. B, 1980, vol. 11, pp. 607–14.
S. Yamaguchi, A. Imai, and K.S. Goto:Scand. J. Metall., 1982, vol. 11, pp. 263–64.
F. Tsukihashi and N. Sano:Tetsu-to-Hagané, 1985, vol. 71, pp. 815–22.
JANAF Thermochemical Tables, 3rd ed.,J. Phys. Chem. Ref. Data, 1985.
C.R. Masson, I.B. Smith, and S.G. Whiteway:Can. J. Chem., 1970, vol. 48, pp. 1456–64; C.R. Masson:Proc. 11th Int. Congress on Glass, J. Gotz, ed., Prague, 1977, vol. 1, pp. 3–41.
P.J. Flory:Principles of Polymer Chemistry, Cornell University Press, Ithaca, NY, 1953.
R.G. Reddy and M. Blander:Metall. Trans. B, 1987, vol. 18B, pp. 591–96.
R.G. Reddy and M. Blander:Metall. Trans. B, 1989, vol. 20B, pp. 137–40.
B. Chen, R.G. Reddy, and M. Blander:Proc. 3rd Int. Symp. Metallurgical Slags and Fluxes, The Institute of Metals, London, 1989, pp. 270–72.
C.J.B. Fincham and F.D. Richardson:Proc. R. Soc., 1954, vol. 223, pp. 40–62.
K.P. Abraham, M.W. Davies, and F.D. Richardson:J. Iron Steel Inst., 1960, vol. 196, p. 309.
R.A. Sharma and F.D. Richardson:Trans. TMS-AIME, 1965, vol. 233, p. 1586.
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Formerly Graduate Student, Centre for Research in Computational Thermochemistry, Ecole Polytechnique
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Romero-Serrano, A., Pelton, A.D. Extensions of a structural model for binary silicate systems. Metall Mater Trans B 26, 305–315 (1995). https://doi.org/10.1007/BF02660973
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DOI: https://doi.org/10.1007/BF02660973