Abstract
A critical evaluation and optimization of the Na2O-SiO2-As2O5 system was conducted using the CALPHAD method to obtain a consistent set of Gibbs energy functions for all solid, liquid and gas phases within the system. The available and reliable thermodynamic and phase diagram data of the unary As2O5 system and binary Na2O-As2O5 system were all well reproduced in the present optimization. The phase diagram of the SiO2-As2O5 system was predicted from the SiO2-P2O5 system based on the similarity between As2O5 and P2O5. The phase diagram and thermodynamic properties of the ternary Na2O-SiO2-As2O5 system were predicted using the optimization results of the three binary systems. The strong short-range ordering behavior of the liquid Na2O-SiO2-As2O5 solution was well described with the modified quasichemical model. The phase diagram, arsenic evaporation behavior and energy balance were calculated for the glass-making process related to arsenic immobilization from the present thermodynamic database.
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