Acta Phys. -Chim. Sin. ›› 2012, Vol. 28 ›› Issue (01): 37-43.doi: 10.3866/PKU.WHXB201111172


Thermodynamic Reoptimization of the Fe-P System

CAO Zhan-Min, WANG Kun-Peng, QIAO Zhi-Yu, DU Guang-Wei   

  1. State Key Laboratory of Advanced Metallurgy, School of Metallurgical and Ecological Engineering, University of Science & Technology Beijing, Beijing 100083, P. R. China
  • Received:2011-10-08 Revised:2011-11-14 Published:2011-12-29
  • Contact: CAO Zhan-Min
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (50934011).

Abstract: The Fe-P binary system was reoptimized by means of the CALPHAD approach. The Gibbs energy descriptions of every phase in the Fe-P binary system were optimized based on the latest experimental thermodynamic and phase diagram data. The solution phase (liquid, α-Fe, and γ-Fe) was described by the substitutional solution approximation and the other phases (Fe3P, Fe2P, FeP, FeP2, and FeP4) were treated as the stoichiometric compounds. The optimization was carried out using the Thermo-Calc® software package. The agreement of the optimized phase diagram and thermodynamic data with experimental results is good, and a self-consistent and reliable thermodynamic dataset is obtained to allow further optimization of Fe-based, P-containing multicomponent alloy systems.

Key words: Fe-P system, CALPHAD approach, Phase diagram, Thermodynamic optimization