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.

中文翻译：

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Na2O-SiO2-As2O5 系统的热力学模型及其在使用玻璃形成的砷固定中的应用

使用 CALPHAD 方法对 Na2O-SiO2-As2O5 系统进行了关键评估和优化，以获得系统内所有固相、液相和气相的一组一致的吉布斯能量函数。现有的、可靠的一元 As2O5 体系和二元 Na2O-As2O5 体系的热力学和相图数据均在本次优化中得到了很好的再现。基于 As2O5 和 P2O5 之间的相似性，从 SiO2-P2O5 系统预测了 SiO2-As2O5 系统的相图。利用三元体系的优化结果预测了三元Na2O-SiO2-As2O5体系的相图和热力学性质。液态 Na2O-SiO2-As2O5 溶液的强短程有序行为可以用改进的准化学模型很好地描述。相图，