Thermodynamic optimization of the Fe-P system was performed using the CALculation of PHAse Diagrams (CALPHAD) method based on critical evaluation of all available phase equilibria and thermodynamic data. The Gibbs energies of liquid phase and solid solutions were described using the Modified Quasichemical Model and Compound Energy Formalism, respectively. The Fe-P phase diagram, thermodynamic properties of P in liquid Fe and stability of intermediate iron phosphides (Fe 3 P, Fe 2 P, FeP and FeP 2 ) in the entire composition range were reoptimized for resolving the discrepancies left in the previously optimized database. Several problems in previous assessments were resolved, and a more accurate and consistent description of the Fe-P system was achieved compared to experimental data. The distribution of P between molten Fe-P alloys and slag at different temperatures was also calculated to present the applicability of the present work to steel dephosphorization calculation.

中文翻译：

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Fe-P 系统的临界评价和热力学优化

Fe-P 系统的热力学优化是使用 PHA 酶图计算 (CALPHAD) 方法基于对所有可用相平衡和热力学数据的关键评估进行的。液相和固溶体的吉布斯能量分别使用修正准化学模型和复合能量形式来描述。重新优化了 Fe-P 相图、液态 Fe 中 P 的热力学性质以及整个组成范围内中间体磷化铁（Fe 3 P、Fe 2 P、FeP 和 FeP 2 ）的稳定性，以解决先前优化中留下的差异数据库。解决了之前评估中的几个问题，并且与实验数据相比，实现了对 Fe-P 系统的更准确和一致的描述。