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 shu

Thermodynamic Reoptimization of the Fe-P System

1.
State Key Laboratory of Advanced Metallurgy, School of Metallurgical and Ecological Engineering, University of Science & Technology Beijing, Beijing 100083, P. R. China

Received Date: 8 October 2011
Available Online: 17 November 2011
Fund Project: 国家自然科学基金(50934011)资助项目 (50934011)

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.
- Fe-P system,
- CALPHAD approach,
- Phase diagram,
- Thermodynamic optimization
1. [1]
  (1) Okamoto, H. Bulletin of Alloy Phase Diagrams 1990, 11, 404.
2. [2]
  (2) Kubaschewski, O. Iron-Binary Phase Diagrams; Springer-Verlag: Berlin, 1982; pp 84-86.
3. [3]
  (3) Ohtani, H.; Hanaya, N.; Hasebe, M.; Teraoka, S.; Abe, M. CALPHAD 2006, 30, 147.
4. [4]
  (4) Tokunaga, T.; Hanaya, N.; Ohtani, H.; Hasebe, M. ISIJ International 2009, 49, 947.
5. [5]
  (5) Zaitsev, A. I.; Dobrokhotova, Z. V.; Litvina, A. D.; Mogutnov, B. M. J. Chem. Soc. Faraday Trans. 1995, 91, 703.
6. [6]
  (6) Kaufman, L.; Bernstein, H. Computer Calculation of Phase Diagrams; Academic Press: New York, 1970.
7. [7]
  (7) Saunders, N.; Modwnik, A. P. CALPHAD-a Comprehensive Guide; Pergamon, Lausanne: Switzerland, 1998.
8. [8]
  (8) Sundman, B.; Jansson, B.; Anderson, J. O. CALPHAD 1985, 9, 153.
9. [9]
  (9) Saklatwalla, B. J. Iron Steel Inst. 1908, 77, 92.
10. [10]
  (10) Konstantinow, N. Z. Anorg. Chem. 1910, 66, 209.
11. [11]
  (11) Haughton, J. L. J. Iron Steel Inst. 1927, 115, 417.
12. [12]
  (12) Vogel, R. Arch. Eisenhüttenwes. 1929-1930, 3, 369.
13. [13]
  (13) Roquet, P.; Jegaden, G. Rev. Metall. 1951, 48, 712.
14. [14]
  (14) Lorenz, K.; Frabritius, H. Arch. Eisenhüttenwes. 1962, 33, 269.
15. [15]
  (15) Fisher,W. A.; Lorenz, K.; Fabritius, H.; Hoffmann, A.; Kalwa, G. Arch. Eisenhüttenwes. 1966, 37, 79.
16. [16]
  (16) Gercke, E. Metallurgie 1908, 5, 604.
17. [17]
  (17) Hanemann, H.; Voss, H. Zentr. Hutten . Walzwerke 1927, 31, 245.
18. [18]
  (18) Wachtel, E.; Urbain, G.; Ubelacker, E. Compt. Rend. 1963, 257, 2470.
19. [19]
  (19) Schürmann, E.; Kaiser, H. P.; Hensgen, U. Arch. Eisenhüttenwes. 1981, 52, 51.
20. [20]
  (20) Kaneko, H.; Nishizawa, T.; Tamaki, K.; Tanifuji, A. Nippon Kinzoku Gakkai-Shi 1965, 29, 166.
21. [21]
  (21) Kreutzer, C. Z. Phys. 1928, 48, 556.
22. [22]
  (22) Oberhoffer, P.; Kreutzer, C. Arch. Eisenhüttenwes. 1929, 2, 449.
23. [23]
  (23) Yensen, T. D. Trans. Am. Inst. Elec. Eng. 1924, 43, 145.
24. [24]
  (24) Svechnikov, V. N.; Pan, V. M. Phys. Met. Metallogr. 1958, 6, 80.
25. [25]
  (25) Doan, A. S., Jr.; ldstein, J. I. Metall. Trans. 1970, 1, 1759.
26. [26]
  (26) Hofman, H. P.; Lohberg, K.; Reif,W. Arch. Eisenhüttenwes. 1970, 41, 975.
27. [27]
  (27) Ko, M.; Nishizawa, T. J. Jpn. Inst. Met. 1979, 43, 118.
28. [28]
  (28) Franke,W.; Meisel, K.; Juza, R. Z. Anorg. Chem. 1934, 218, 346.
29. [29]
  (29) Meisel, K. Z. Anorg. Chem. 1934, 218, 360.
30. [30]
  (30) Heimbrecht, M.; Biltz,W. Z. Anorg. Chem. 1939, 242, 233.
31. [31]
  (31) Holseth, H.; Kjekshus, A. Acta Chemica Scandinavica 1968, 22, 3273.
32. [32]
  (32) Jeitschko,W.; Braun, D. J. Acta Crystallogr. B 1978, 34, 3196.
33. [33]
  (33) Weibke, F.; Schrag, G. Elektrochem. 1941, 47, 222.
34. [34]
  (34) Lewis, G.; Myers, C. E. J. Phys. Chem. 1963, 67, 1289.
35. [35]
  (35) Spencer, P.; Kubaschewski, O. A. Arch. Eisenhüttenwes. 1978, 49, 225.
36. [36]
  (36) Dinsdale, A. T. CALPHAD 1991, 15, 317.
37. [37]
  (37) Dinsdale, A. T. NPL Report DMA (A), 1989, 195.
38. [38]
  (38) Carsson, B.; lin, M.; Rundqvist, S. J. Solid State Chem. 1973, 8, 57.
39. [39]
  (39) Redlich, O.; Kister, A. T. Ind. Eng. Chem. 1948, 40, 345.
1. [1]
  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
2. [2]
  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
3. [3]
  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
4. [4]
  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
5. [5]
  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
6. [6]
  Yanling Luo , Xuejie Qi , Rui Shen , Xuling Peng , Xiaoyan Han . Design and Implementation of Ideological and Political Education in the Physical Chemistry Course at Traditional Chinese Medicine Universities: A Case Study of the Phase Diagram of Water. University Chemistry, 2024, 39(11): 9-14. doi: 10.3866/PKU.DXHX202402003
7. [7]
  Yang Chen , Xiuying Wang , Nengqin Jia . Ideological and Political Design, Blended Teaching Practice of Physical Chemistry Experiment: Pb-Sn Binary Metal Phase Diagram. University Chemistry, 2025, 40(3): 223-229. doi: 10.12461/PKU.DXHX202405184
8. [8]
  Hui Xiong , Yan Wang , Rongxian Bai , Yongqi Wu , Chengmei Liu , Yuefa Gong , Jian Zhang . Development of a Compound Talent Training System Based on Virtual Technology: a Case Study of Chemical Unit and Process Simulation Practices. University Chemistry, 2024, 39(10): 314-317. doi: 10.12461/PKU.DXHX202405071
9. [9]
  Shuhui Li , Xucen Wang , Yingming Pan . Exploring the Role of Electrochemical Technologies in Everyday Life. University Chemistry, 2025, 40(3): 302-307. doi: 10.12461/PKU.DXHX202406059
10. [10]
  Wei Li , Guoqiang Feng , Ze Chang . Teaching Reform of X-ray Diffraction Using Synchrotron Radiation in Materials Chemistry. University Chemistry, 2024, 39(3): 29-35. doi: 10.3866/PKU.DXHX202308060
11. [11]
  Wenyan Dan , Weijie Li , Xiaogang Wang . The Technical Analysis of Visual Software ShelXle for Refinement of Small Molecular Crystal Structure. University Chemistry, 2024, 39(3): 63-69. doi: 10.3866/PKU.DXHX202302060
12. [12]
  Hao Zhao , Zhen Gao , Weihong Li . Practice and Exploration of the Construction of Experimental Technician Teams of Universities in the New Period. University Chemistry, 2024, 39(4): 7-12. doi: 10.3866/PKU.DXHX202310122
13. [13]
  Zhenjun Mao , Haorui Gu , Haiyan Che , Xufeng Lin . Exploration on Experiment Teaching of UHPLC-IC Based on Valve Switching Method. University Chemistry, 2024, 39(4): 81-86. doi: 10.3866/PKU.DXHX202311013
14. [14]
  Congying Wen , Zhengkun Du , Yukun Lu , Zongting Wang , Hua He , Limin Yang , Jingbin Zeng . Teaching Reform and Practice of Modern Analytical Technology under the Integration of Science, Industry, and Education. University Chemistry, 2024, 39(8): 104-111. doi: 10.3866/PKU.DXHX202312089
15. [15]
  Dongxue Han , Huiliang Sun , Li Niu . Virtual Reality Technology for Safe and Green University Chemistry Experimental Education. University Chemistry, 2024, 39(8): 191-196. doi: 10.3866/PKU.DXHX202312055
16. [16]
  Yongjie ZHANG , Bintong HUANG , Yueming ZHAI . Research progress of formation mechanism and characterization techniques of protein corona on the surface of nanoparticles. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2318-2334. doi: 10.11862/CJIC.20240247
17. [17]
  Zijuan LI , Xuan LÜ , Jiaojiao CHEN , Haiyang ZHAO , Shuo SUN , Zhiwu ZHANG , Jianlong ZHANG , Yanling MA , Jie LI , Zixian FENG , Jiahui LIU . Synthesis of visual fluorescence emission CdSe nanocrystals based on ligand regulation. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 308-320. doi: 10.11862/CJIC.20240138
18. [18]
  Zhaoyang Li , Haiyan Zhao , Yali Zhang , Yuan Zhang , Shiqiang Cui . Integration of Nobel Prize Achievements in Analytical Technology with College Instrumental Analysis Course. University Chemistry, 2025, 40(3): 269-276. doi: 10.12461/PKU.DXHX202405131
19. [19]
  Cen Zhou , Biqiong Hong , Yiting Chen . Application of Electrochemical Techniques in Supramolecular Chemistry. University Chemistry, 2025, 40(3): 308-317. doi: 10.12461/PKU.DXHX202406086
20. [20]
  Siyu Zhang , Kunhong Gu , Bing'an Lu , Junwei Han , Jiang Zhou . Hydrometallurgical Processes on Recycling of Spent Lithium-lon Battery Cathode: Advances and Applications in Sustainable Technologies. Acta Physico-Chimica Sinica, 2024, 40(10): 2309028-. doi: 10.3866/PKU.WHXB202309028

Get Citation

PDF

XML

Metrics

PDF Downloads(1170)
Abstract views(2709)
HTML views(47)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142