Modified Quasichemical Model

The thermodynamic properties of the liquid Co-Fe-S solutions were predicted using the modified quasichemical model for short-range ordering by [1999Kon] and very good agreement with experimental data was obtained. 

All relevant thermodynamic and phase diagram data in the CaO-FetO-CaF2 system were critically reviewed. One set of model parameters describing the Gibbs energy of all phases has been obtained as a result of critical evaluation of the available data and optimization of the model parameters. The Modified Quasichemical Model was used to describe the interactions in the liquid phase. All calculations were performed using the FactSage thermochemical software. 

In the present work, all the existing experimental data on the CaO-FetO-CaF2 system were cntically reviewed. Then, the Modified Quasichemical Model for slags was applied to the system and model parameters were chosen to reproduce flie most reliable data sets. The optimized model... 

A. D. Pelton, S. A. Degterov, G. Eriksson, C. Robelin, and Y. Dessureault, "The modified quasichemical model I - Binary solutions," Metallurgical and Materials Transactions B-Process Metallurgy and Materials Processing Science, 31(4) (2000), 651-59. 

Keywords Thermodynamic modeling, CaO-FetO-CaF2, mould flux, Modified Quasichemical... 

Lattice theories [37] enable one to consider nonspecific physical forces (e.g., molecular dipole moments, induction effects, and London dispersion forces) and have been applied successfully to model nonideality in a wide range of mixtmes. Guggenheim [43] was the first to develop a quasichemical theory using lattice models. Wilson [44], Renon and Prausnitz [45], Abrams and Prausnitz [46], and Vera et al. [47] modified it for nomandom mixtures. Panayiotou and Vera... 

The Modified Quasi-chemical Model [10,11] has been applied successfully to slag solutions. However, for a solution where substitution is possible on two sublattices ([Ca, Fe ][0, F] in the present case) the quadnqrlet approximation should be used [12]. The two most important quasichemical reactions between quadruplets can be represented as follows ... 

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