Prediction of Thermodynamic Properties of Si-P and Si-Fe-P Alloys for Solar Grade Silicon Refining Com 2015 - 54th Annual Conference of Metallurgists Held in Conjunction with AMCAA - America's Conference on Al Alloys

In order to maximally remove the harmful impurities phosphorus and reduce the loss of valuable elements from Si-based alloy for production of solar-grade silicon, thermodynamic properties of the Si-based alloy were studied. In this work a new model, the Molecular Interaction Volume Model (MIVM) derived from statistical thermodynamics, was successfully used in the Si-based and Si-Fe-based alloy. The calculation started from binary Si-Fe, Si-P and Fe-P systems, then the thermodynamic parameters of ternary systems could be derived based sub-binary systems. Using the activity coefficients of the elements in the Si-based alloys and the saturated vapor pressure of the pure substance of the components, mass fraction of P during vapor-liquid equilibrium can be calculated. The calculated thermodynamic parameters were compared with experimental data available in different publications, and it is found that the thermodynamic parameters calculated using MIVM model are in good agreement with the measured results. The calculated result shows that the mass fraction of phosphorus during vapor-liquid equilibrium of Si-Fe-P melt increases with the increasing phosphorus content and decreasing temperature. This is an important direction for experimental practice in vacuum or low-pressure EML refining of ferrosilicon for potential production of solar-grade silicon without significant vaporization loss of valuable element.