Citation:
CAO Zhan-Min, WANG Kun-Peng, QIAO Zhi-Yu, DU Guang-Wei. Thermodynamic Reoptimization of the Fe-P System[J]. Acta Physico-Chimica Sinica,
;2012, 28(01): 37-43.
doi:
10.3866/PKU.WHXB201111172
-
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 od, and a self-consistent and reliable thermodynamic dataset is obtained to allow further optimization of Fe-based, P-containing multicomponent alloy systems.
-
-
-
[1]
(1) Okamoto, H. Bulletin of Alloy Phase Diagrams 1990, 11, 404.

-
[2]
(2) Kubaschewski, O. Iron-Binary Phase Diagrams; Springer-Verlag: Berlin, 1982; pp 84-86.
-
[3]
(3) Ohtani, H.; Hanaya, N.; Hasebe, M.; Teraoka, S.; Abe, M. CALPHAD 2006, 30, 147.

-
[4]
(4) Tokunaga, T.; Hanaya, N.; Ohtani, H.; Hasebe, M. ISIJ International 2009, 49, 947.

-
[5]
(5) Zaitsev, A. I.; Dobrokhotova, Z. V.; Litvina, A. D.; Mogutnov, B. M. J. Chem. Soc. Faraday Trans. 1995, 91, 703.

-
[6]
(6) Kaufman, L.; Bernstein, H. Computer Calculation of Phase Diagrams; Academic Press: New York, 1970.
-
[7]
(7) Saunders, N.; Modwnik, A. P. CALPHAD-a Comprehensive Guide; Pergamon, Lausanne: Switzerland, 1998.
-
[8]
(8) Sundman, B.; Jansson, B.; Anderson, J. O. CALPHAD 1985, 9, 153.

-
[9]
(9) Saklatwalla, B. J. Iron Steel Inst. 1908, 77, 92.
- [10]
-
[11]
(11) Haughton, J. L. J. Iron Steel Inst. 1927, 115, 417.
-
[12]
(12) Vogel, R. Arch. Eisenhüttenwes. 1929-1930, 3, 369.
-
[13]
(13) Roquet, P.; Jegaden, G. Rev. Metall. 1951, 48, 712.
-
[14]
(14) Lorenz, K.; Frabritius, H. Arch. Eisenhüttenwes. 1962, 33, 269.
-
[15]
(15) Fisher,W. A.; Lorenz, K.; Fabritius, H.; Hoffmann, A.; Kalwa, G. Arch. Eisenhüttenwes. 1966, 37, 79.
-
[16]
(16) Gercke, E. Metallurgie 1908, 5, 604.
-
[17]
(17) Hanemann, H.; Voss, H. Zentr. Hutten . Walzwerke 1927, 31, 245.
-
[18]
(18) Wachtel, E.; Urbain, G.; Ubelacker, E. Compt. Rend. 1963, 257, 2470.
-
[19]
(19) Schürmann, E.; Kaiser, H. P.; Hensgen, U. Arch. Eisenhüttenwes. 1981, 52, 51.
-
[20]
(20) Kaneko, H.; Nishizawa, T.; Tamaki, K.; Tanifuji, A. Nippon Kinzoku Gakkai-Shi 1965, 29, 166.
- [21]
-
[22]
(22) Oberhoffer, P.; Kreutzer, C. Arch. Eisenhüttenwes. 1929, 2, 449.
-
[23]
(23) Yensen, T. D. Trans. Am. Inst. Elec. Eng. 1924, 43, 145.
-
[24]
(24) Svechnikov, V. N.; Pan, V. M. Phys. Met. Metallogr. 1958, 6, 80.
-
[25]
(25) Doan, A. S., Jr.; ldstein, J. I. Metall. Trans. 1970, 1, 1759.

-
[26]
(26) Hofman, H. P.; Lohberg, K.; Reif,W. Arch. Eisenhüttenwes. 1970, 41, 975.
-
[27]
(27) Ko, M.; Nishizawa, T. J. Jpn. Inst. Met. 1979, 43, 118.
-
[28]
(28) Franke,W.; Meisel, K.; Juza, R. Z. Anorg. Chem. 1934, 218, 346.

- [29]
-
[30]
(30) Heimbrecht, M.; Biltz,W. Z. Anorg. Chem. 1939, 242, 233.

-
[31]
(31) Holseth, H.; Kjekshus, A. Acta Chemica Scandinavica 1968, 22, 3273.

-
[32]
(32) Jeitschko,W.; Braun, D. J. Acta Crystallogr. B 1978, 34, 3196.

-
[33]
(33) Weibke, F.; Schrag, G. Elektrochem. 1941, 47, 222.
- [34]
-
[35]
(35) Spencer, P.; Kubaschewski, O. A. Arch. Eisenhüttenwes. 1978, 49, 225.
-
[36]
(36) Dinsdale, A. T. CALPHAD 1991, 15, 317.

-
[37]
(37) Dinsdale, A. T. NPL Report DMA (A), 1989, 195.
-
[38]
(38) Carsson, B.; lin, M.; Rundqvist, S. J. Solid State Chem. 1973, 8, 57.

-
[39]
(39) Redlich, O.; Kister, A. T. Ind. Eng. Chem. 1948, 40, 345.

-
[1]
-
-
-
[1]
Yujing Chen , Hongqun Ouyang , Dan Zhao , Yanyan Chu , Zhengping Qiao . Recommendations for the Content and Instruction of the Physical Chemistry Experiment “Construction of Ternary Liquid-Liquid Phase Diagrams”. University Chemistry, 2025, 40(7): 359-366. doi: 10.12461/PKU.DXHX202409120
-
[2]
Lifei Liu , Yali Du , Xia An , Xiufeng Shi , Xu Wu . Design of Ideological and Political Education in Phase Diagram Courses under the “Carbon Peaking and Carbon Neutrality Goals”: Guiding CO2 Displacement for Natural Gas Hydrate Exploitation and CO2 Sequestration. University Chemistry, 2026, 41(3): 242-247. doi: 10.12461/PKU.DXHX202504003
-
[3]
Yuxin Bai , Haiying Jiang . The Physical Chemistry behind Culinary Delights. University Chemistry, 2026, 41(2): 286-294. doi: 10.12461/PKU.DXHX202503082
-
[4]
Chunguang Rong , Miaojun Xu , Xingde Xiang , Song Liu . 化学热力学熵变计算的教学探讨. University Chemistry, 2025, 40(8): 323-329. doi: 10.12461/PKU.DXHX202409146
-
[5]
Youjun Fan , Xiuyun Wu , Wei Chen , Jianhua Qiu , Dongcheng Liu . Reflection on Standard States in Chemical Thermodynamics Teaching. University Chemistry, 2026, 41(6): 441-448. doi: 10.12461/PKU.DXHX202503051
-
[6]
Jiayin Hu , Yafei Guo , Long Li , Tianlong Deng . Teaching Innovation of Salt-Water System Phase Diagrams under the “Dual Carbon” Background: Introducing the Pressurized CO2 Carbonization Phase Equilibria. University Chemistry, 2025, 40(11): 31-36. doi: 10.12461/PKU.DXHX202412031
-
[7]
Jianchun Wang , Ruyu Xie . The Fantastical Dance of Miss Electron: Contra-Thermodynamic Electrocatalytic Reactions. University Chemistry, 2025, 40(4): 331-339. doi: 10.12461/PKU.DXHX202406082
-
[8]
Tongqi Ye , Yanqing Wang , Qi Wang , Huaiping Cong , Xianghua Kong , Yuewen Ye . Reform of Classical Thermodynamics Curriculum from the Perspective of Computational Chemistry. University Chemistry, 2025, 40(7): 387-392. doi: 10.12461/PKU.DXHX202409128
-
[9]
Fengmei Wang , Xin Zhang , Hong Yan , Xiangyu Xu , Guirong Wang . Inverted 'Π' Graphic Memory Method for Thermodynamic Basic Equations and the Application in Teaching Practice. University Chemistry, 2025, 40(11): 369-375. doi: 10.12461/PKU.DXHX202412087
-
[10]
Zihao Xu , Jia Yao , Xiaogang Peng . Statistical thermodynamics of heat capacity of liquid and gas. University Chemistry, 2026, 41(6): 92-99. doi: 10.12461/PKU.DXHX202511181
-
[11]
Xiangming Feng , Jinyun Zheng , Ruoyu Cao , Dan Li , Xinxin Guan , Zhaohui Li , Weihua Chen , Jianmin Zhang . Visualization of throttling expansion and thermodynamic functions for Van der Waals gases. University Chemistry, 2026, 41(7): 401-405. doi: 10.12461/PKU.DXHX202506002
-
[12]
Xiaohui Li , Ze Zhang , Jingyi Cui , Juanjuan Yin . Advanced Exploration and Practice of Teaching in the Experimental Course of Chemical Engineering Thermodynamics under the “High Order, Innovative, and Challenging” Framework. University Chemistry, 2024, 39(7): 368-376. doi: 10.3866/PKU.DXHX202311027
-
[13]
Ruming Yuan , Pingping Wu , Laiying Zhang , Xiaoming Xu , Gang Fu . Patriotic Devotion, Upholding Integrity and Innovation, Wholeheartedly Nurturing the New: The Ideological and Political Design of the Experiment on Determining the Thermodynamic Functions of Chemical Reactions by Electromotive Force Method. University Chemistry, 2024, 39(4): 125-132. doi: 10.3866/PKU.DXHX202311057
-
[14]
Ziyu Bai , Jiaxin Zhou , Sisi Zhao , Siyu Teng , Xinxin Li , Xiting Wang , Yuwei Dong , Zhen Zhao . Delving into the Captivating Color Transformation of Cobalt: Digital Empowerment of Intelligent Visual Robot Monitoring System for Measuring Thermodynamic Parameters. University Chemistry, 2026, 41(1): 122-132. doi: 10.12461/PKU.DXHX202505103
-
[15]
Yiying Yang , Dongju Zhang . Elucidating the Concepts of Thermodynamic Control and Kinetic Control in Chemical Reactions through Theoretical Chemistry Calculations: A Computational Chemistry Experiment on the Diels-Alder Reaction. University Chemistry, 2024, 39(3): 327-335. doi: 10.3866/PKU.DXHX202309074
-
[16]
Yue Wu , Jun Li , Bo Zhang , Yan Yang , Haibo Li , Xian-Xi Zhang . Research on Kinetic and Thermodynamic Transformations of Organic-Inorganic Hybrid Materials for Fluorescent Anti-Counterfeiting Application information: Introducing a Comprehensive Chemistry Experiment. University Chemistry, 2024, 39(6): 390-399. doi: 10.3866/PKU.DXHX202403028
-
[17]
Hongxiao Yang , Zhilian Liu , Weimin Zhang , Jitao Liu . Integratingscenario, knowledge, and problem lines in a problem-driven framework: teaching thermodynamics and kinetics in general chemistry. University Chemistry, 2026, 41(6): 100-107. doi: 10.12461/PKU.DXHX202511184
-
[18]
Yuchen Zhou , Huanmin Liu , Hongxing Li , Xinyu Song , Yonghua Tang , Peng Zhou . Designing thermodynamically stable noble metal single-atom photocatalysts for highly efficient non-oxidative conversion of ethanol into high-purity hydrogen and value-added acetaldehyde. Acta Physico-Chimica Sinica, 2025, 41(6): 100067-0. doi: 10.1016/j.actphy.2025.100067
-
[19]
Qingtao Niu , Xinyao Xu , Weiyue Yu , Shuxiang Meng , Zhiguo Lv , Manman Jin . Exploration and Practice of Science-Education Integration in Chemical Engineering Thermodynamics Teaching for Chemical Engineering Majors: A Case of Chemical Engineering Physical Property Data Estimation and Chemical Reaction Equilibrium. University Chemistry, 2025, 40(10): 1-9. doi: 10.12461/PKU.DXHX202412029
-
[20]
Yukai Jiang , Yihan Wang , Yunkai Zhang , Yunping Wei , Ying Ma , Na Du . Characterization and Phase Diagram of Surfactant Lyotropic Liquid Crystal. University Chemistry, 2024, 39(4): 114-118. doi: 10.3866/PKU.DXHX202309033
-
[1]
Metrics
- PDF Downloads(1170)
- Abstract views(3297)
- HTML views(127)
Login In
DownLoad: