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ISSN electronic edition: 1336-9075
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Computer Optimization of the Phase Diagrams of Alumino-Silicate Systems. 3. Regression Treatment of Peritectic Systems with Unknown Structural Parameters

M. Liška and J. Strečko

Institute of Inorganic Chemistry, Slovak Academy of Sciences, SK-842

 

E-mail: Iiska@uach1.savba.sk

Abstract: The phase diagram of the system CaO (C)-12CaO . 7Al2O3,(C12A7) with incongruently melting compound 3Ca0 . Al2O3 (C3A) is described by a thermodynamic model. Unknown structural and enthalpic parameters of the model were obtained by the nonlinear regression analysis. The least-squares method gave following estimates: α4(Al) = 0.566 +/- 0.06, ∆fusH(C) = (140.7 +/- 2.6) kJ mol-1, ∆fus H(C12A7) = (57 +/- 8) kJ mol-1,  ∆fusH(C3A) = (223 +/- 21) kJ mol-1, Tfus,hyp (C3A) = (1808 +/- 7) K. The inconsistency between the calorimetric and from the activity-composition relations deduced heats of fusion and/or heat of incongruent decomposition is critically discussed.

Full paper in Portable Document Format: 486a371.pdf

 

Chemical Papers 48 (6) 371–375 (1994)

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