物理化学学报 >> 2012, Vol. 28 >> Issue (01): 37-43.doi: 10.3866/PKU.WHXB201111172

热力学，动力学和结构化学 上一篇    下一篇

Fe-P体系热力学再优化

曹战民, 王昆鹏, 乔芝郁, 杜广巍   

  1. 北京科技大学, 钢铁冶金新技术国家重点实验室, 冶金与生态工程学院, 北京 100083
  • 收稿日期:2011-10-08 修回日期:2011-11-14 发布日期:2011-12-29
  • 通讯作者: 曹战民 E-mail:zmcao@ustb.edu.cn
  • 基金资助:

    国家自然科学基金(50934011)资助项目

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 E-mail:zmcao@ustb.edu.cn
  • Supported by:

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

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摘要： 基于最新的实验热力学数据和相图数据, 采用CALPHAD技术对Fe-P 体系进行热力学再优化. 其中,溶液相(液相、α-Fe 和γ-Fe)的Gibbs 自由能用替换溶液模型描述, 其余化合物(Fe3P、Fe2P、FeP、FeP2和FeP4)看作严格计量比化合物. 整个优化过程在Thermo-Calc®软件包中完成, 优化所得热力学数据和相图信息与实验信息吻合较好, 为Fe基合金和含P多元合金体系的进一步优化提供了一组自洽可靠的热力学参数.

关键词: Fe-P体系, CALPHAD技术, 相图, 热力学优化

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