Thermodynamic modeling of the Fe-S system |
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Authors: | P Walder A D Pelton |
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Affiliation: | (1) Centre de Recherche en Calcul Thermochimique, école Polytechnique de Montréal, Station “Downtown”, P.O. Box 6079, H3C 3A7 Montréal, QC, Canada |
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Abstract: | A thorough review and critical evaluation of phase equilibria and thermodynamic data for all phases in the iron-sulfur (Fe-S)
binary system at 1 bar pressure has been made over the entire composition range for temperatures from 25 °C to above the liquidus.
The Gibbs energies of ten phases have been modeled, and optimized model parameters have been obtained that reproduce all data
simultaneously within experimental error limits. For the liquid phase, the recently extended modified quasi-chemical model
is applied for the first time to a liquid metal-sulfur phase. A two-sublattice model within the framework of the compound
energy formalism is used for the high-temperature monosulfide pyrrhotite solution. A substitutional model is used for the
dissolution of S in solid iron. The Gibbs energies of six stoichiometric compounds are also modeled. |
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