M -P2O5和CaO-P2O5体系的热力学优化

引用本文: 丁国慧, 谢伟, JUNG In-Ho, 乔芝郁, 杜广巍, 曹战民. M -P₂O₅和CaO-P₂O₅体系的热力学优化[J]. 物理化学学报, 2015, 31(10): 1853-1863. doi: 10.3866/PKU.WHXB201508121 shu

Citation: DING Guo-Hui, XIE Wei, JUNG In-Ho, QIAO Zhi-Yu, DU Guang-Wei, CAO Zhan-Min. Thermodynamic Assessment of the M -P₂O₅ and CaO-P₂O₅ Systems[J]. Acta Physico-Chimica Sinica, 2015, 31(10): 1853-1863. doi: 10.3866/PKU.WHXB201508121 shu

M -P₂O₅和CaO-P₂O₅体系的热力学优化

基金项目:
国家重点基础研究发展规划项目(973) (2014CB643401)资助 (973) (2014CB643401)

摘要:

基于严格评估的相图和热力学实验数据, 采用相图计算方法对M -P₂O₅和CaO-P₂O₅体系进行热力学优化. 液相采用修正的似化学模型进行描述, 考虑了对近似处理液相中存在的短程有序. 为了描述M₃(PO₄)₂(M = Mg, Ca)组分处的最大短程有序, 将PO₄^3-当作液相中P₂O₅的基本组成单元. 体系中所有的中间相都看作线性化合物并考虑了晶型转变. 获得一套合理、可靠、自洽的模型参数用来描述体系中各相的热力学性质, 在实验误差范围内很好地重现了相图、焓、熵和活度实验数据, 为炼钢脱磷过程中熔渣体系热力学数据库的建立打下了坚实的基础.

关键词:

English

Thermodynamic Assessment of the M -P₂O₅ and CaO-P₂O₅ Systems

1.
1 State Key Laboratory of Advanced Metallurgy, School of Metallurgical and Ecological Engineering, University of Science & Technology Beijing, Beijing 100083, P. R. China;
2 Department of Mining and Materials Engineering, McGill University, Montreal QC H3A 0C5, Canada
Received Date: 30 April 2015
Available Online: 10 October 2015
Fund Project:
国家重点基础研究发展规划项目(973) (2014CB643401)资助

Abstract:

The M -P₂O₅ and CaO-P₂O₅ systems have been thermodynamically assessed based on the available phase diagram and thermodynamic data using the Calculation of Phase Diagram (CALPHAD) method. The liquid phase is described by the modified quasichemical model with the pair approximation, which takes short-range ordering in liquid solution into account. The PO₄^3- is considered as the basic building unit of P₂O₅ in the liquid solution since the maximum short-range ordering occurs at the M₃(PO₄)₂ (M = Mg, Ca) composition. All intermetallic phases are treated as stoichiometric compounds and the phase transformations are considered. A set of self-consistent model parameters is obtained to describe the thermodynamic property of every phase in these two binary systems, by which the published phase diagram, enthalpy, entropy, and activity data are reproduced well within experimental error limits. The present study can be used as a basis for the development of a thermodynamic database of molten slag system for the steelmaking dephosphorus process.

Key words:

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1.
沈阳化工大学材料科学与工程学院沈阳 110142

M -P₂O₅和CaO-P₂O₅体系的热力学优化

English

Thermodynamic Assessment of the M -P₂O₅ and CaO-P₂O₅ Systems

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