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

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: 12 August 2015
Fund Project: 国家重点基础研究发展规划项目(973) (2014CB643401)资助 (973) (2014CB643401)

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.
- M -P₂O₅,
- CaO-P₂O₅,
- Modified quasichemical model,
- Thermodynamics,
- Phase diagram
1. [1]
  
  (1) Turkdogan, E. T. Fundamentals of Steelmaking; Institute of Materials: London, 1996.
2. [2]
  (2) Bandyopadhyay, A.; Bernard, S.; Xue, W.; Bose, S. J. Am. Ceram. Soc. 2006, 89 (9), 2675. doi: 10.1111/j.1551-2916.2006.01207.x
3. [3]
  (3) Carrodeguas, R. G.; Aza, A. H.; Turrillas, X.; Pena, P.; Aza, S. J. Am. Ceram. Soc. 2008, 91 (4), 1281. doi: 10.1111/j.1551-2916. 2008.02294.x
4. [4]
  (4) Serena, S.; Carbajal, L.; Sainz, M. A.; Caballero, A. J. Am. Ceram. Soc. 2011, 94 (9), 3094. doi: 10.1111/jace.2011.94.issue-9
5. [5]
  (5) Hudon, P.; Jung, I. H. Metall. Mater. Trans. B 2015, 46 (1), 494. doi: 10.1007/s11663-014-0193-x
6. [6]
  (6) Welch, J. H.; Gutt, W. J. Chem. Soc. 1961, 4442.
7. [7]
  (7) Szuszkiewicz, W. Mater. Chem. Phys. 1992, 31 (3), 257. doi: 10.1016/0254-0584(92)90262-7
8. [8]
  (8) Henning, P. A.; Landa-Canovas, A. R.; Larsson, A. K.; Lidin, S. Acta Cryst. B 1999, 55 (2), 170. doi: 10.1107/S0108768198012798
9. [9]
  (9) Trombe, J. C.; Montel, G. J. Inorg. Nucl. Chem. 1978, 40 (1), 15. doi: 10.1016/0022-1902(78)80298-X
10. [10]
  (10) Schwerdtfeger, K.; Engell, H. J. Arch. Eisenhuettenwes. 1963, 34 (9), 647.
11. [11]
  (11) Nagai, T.; Tanaka, Y.; Maeda, M. Metall. Mater. Trans. B 2011, 42 (4), 685. doi: 10.1007/s11663-011-9509-2
12. [12]
  (12) Nagai, T.; Miyake, M.; Maeda, M. Metall. Mater. Trans. B 2009, 40 (4), 544. doi: 10.1007/s11663-009-9242-2
13. [13]
  (13) Pelton, A. D.; Degterov, S. A.; Eriksson, G.; Robelin, C.; Dessureault, Y. Metall. Mater. Trans. B 2000, 31 (4), 651. doi: 10.1007/s11663-000-0103-2
14. [14]
  (14) Pelton, A. D.; Chartrand, P. Metall. Mater. Trans. A 2001, 32 (6), 1355. doi: 10.1007/s11661-001-0226-3
15. [15]
  (15) Rahman, M.; Hudon, P.; Jung, I. H. Metall. Mater. Trans. B 2013, 44 (4), 837. doi: 10.1007/s11663-013-9847-3
16. [16]
  (16) Bale, C. W.; Belisle, E.; Chartrand, P.; Decterov, S. A.; Eriksson, G.; Hack, K.; Jung, I. H.; Kang, Y. B.; Melançon, J.; Pelton, A. D.; Robelin, C.; Petersen, S. Calphad2009, 33 (2), 295. doi: 10.1016/j.calphad.2008.09.009
17. [17]
  (17) Berthet, G.; Joubert, J. C.; Bertaut, E. F. Z. Kristallogr. 1972, 136 (1-2), 98. doi: 10.1524/zkri.1972.136.1-2.98
18. [18]
  (18) Nord, A. G.; Kierkegaard, P. Acta Chem. Scand. 1968, 22 (5), 1466.
19. [19]
  (19) Baykal, A.; Kizilyalli, M.; Kniep, R. Turkish J. Chem. 1997, 21 (4), 394.
20. [20]
  (20) Abdelkader, S. B.; Cherifa, A. B.; Khattech, I.; Jemal, M. Thermochim. Acta 1999, 344 (1-2), 123.
21. [21]
  (21) Nord, A. G.; Stefanidis, T. Mater. Res. Bull. 1980, 15 (8), 1183. doi: 10.1016/0025-5408(80)90084-7
22. [22]
  (22) Jaulmes, S.; Elfaki, A.; Quarton, M.; Burnet, F.; Chopin, C. J. Solid State Chem. 1997, 129 (2), 341. doi: 10.1006/jssc. 1996.7262
23. [23]
  (23) Calvo, C.; Leung, J. S.; Datars, W. R. J. Chem. Phys. 1967, 46 (2), 796. doi: 10.1063/1.1840742
24. [24]
  (24) Lukaszewicz, K. Bull. Acad. Pol. Sci., Ser. Sci. Chim. 1967, 15 (2), 53.
25. [25]
  (25) Calvo, C. Acta Crystallogr. 1967, 23 (2), 289. doi: 10.1107/S0365110X67002610
26. [26]
  (26) Beucher, M.; Grenier, J. C. Mater. Res. Bull. 1968, 3 (8), 643. doi: 10.1016/0025-5408(68)90113-X
27. [27]
  (27) Nord, A. G.; Lindberg, K. B. Acta Chem. Scand. 1975, 29A (1), 1.
28. [28]
  (28) Stachel, D.; Paulus, H.; Guenter, C.; Fuess, H. Z. Kristallogr. 1992, 199 (3-4), 275. doi: 10.1524/zkri.1992.199.3-4.275
29. [29]
  (29) Meyer, K.; Hobert, H.; Barz, A.; Stachel, D. Vib. Spectrosc. 1994, 6 (3), 323. doi: 10.1016/0924-2031(93)E0055-7
30. [30]
  (30) Yakubovich, O. V.; Dimitrova, O. V.; Vidrevich, A. I. Kristallografiya 1993, 38 (2), 77.
31. [31]
  (31) Berak, J. Rocz. Chem. 1958, 32, 17.
32. [32]
  (32) Bobrownicki, W.; Slawski, K. Rocz. Chem. 1959, 33, 251.
33. [33]
  (33) Czupinska, G. J. Therm. Anal. 1992, 38 (10), 2343. doi: 10.1007/BF02123987
34. [34]
  (34) Oetting, F. L.; McDonald, R. A. J. Phys. Chem. 1963, 67 (12), 2737. doi: 10.1021/j100806a055
35. [35]
  (35) Bookey, J. B. J. Iron Steel Inst. 1952, 172, 66.
36. [36]
  (36) Stevens, C. G.; Turkdogan, E. T. Trans. Faraday Soc. 1954, 50, 370. doi: 10.1039/tf9545000370
37. [37]
  (37) Ando, J. Bull. Chem. Soc. Jpn. 1958, 31, 201. doi: 10.1246/bcsj. 31.201
38. [38]
  (38) Roy, R.; Middleswarth, E. T.; Hummel, F. A. Am. Mineral. 1948, 33, 458.
39. [39]
  (39) Thilo, E.; Grunze, I. Z. Anorg. Allg. Chem. 1957, 290, 209.
40. [40]
  (40) Andrieu, R.; Diament, R. Compt. Rend. 1964, 259 (25), 4708.
41. [41]
  (41) Rakotomahanina-Rolaisoa, E.; Henry, Y.; Durif, A.; Raholison, C. Bull. Soc. Fr. Mineral. Cristallogr. 1970, 93 (1), 43.
42. [42]
  (42) Czupinska, G. Thermochim. Acta 1992, 202, 77. doi: 10.1016/0040-6031(92)85152-L
43. [43]
  (43) Sarver, J. F.; Hummel, F. A. J. Electrochem. Soc. 1959, 106, 500. doi: 10.1149/1.2427396
44. [44]
  (44) Jung, I. H.; Hudon, P. J. Am. Ceram. Soc. 2012, 95 (11), 3665. doi: 10.1111/jace.2012.95.issue-11
45. [45]
  (45) Berthelot, M. Thermochimie: Donnees et Lois Numériques; Gauthier-Villars: Paris, 1897.
46. [46]
  (46) Lopatin, S. I.; Semenov, G. A. Izv. Akad. Nauk SSSR, Neorg. Mater. 1989, 25 (4), 645.
47. [47]
  (47) Lopatin, S. I.; Semenov, G. A.; Kutuzova, Y. L. A. Izv. Akad. Nauk SSSR, Neorg. Mater. 1986, 22 (9), 1506.
48. [48]
  (48) Iwase, M.; Akizuki, H.; Fujiwara, H.; Ichise, E.; Yamada, N. Steel Res. 1987, 58 (5), 215.
49. [49]
  (49) Turkdogan, E. T.; Pearson, J. J. Iron Steel Inst. 1953, 175, 398.
50. [50]
  (50) Pelton, A. D.; Blander, M. Metall. Trans. B 1986, 17 (4), 805. doi: 10.1007/BF02657144
51. [51]
  (51) Tromel, G. Mitt. Kaiser-Wilhelm-Inst. Eisenforsch Dusseldorf 1932, 14 (3), 25.
52. [52]
  (52) Hill, W. L.; Faust, G. T.; Reynolds, D. S. Am. J. Sci. 1944, 242, 457. doi: 10.2475/ajs.242.9.457
53. [53]
  (53) Tromel, G.; Fix, W. Arch. Eisenhuettenwes 1961, 32, 209.
54. [54]
  (54) Berak, J.; Znamierowska, T. Pr. Nauk. Wyzsz. Szk. Ekon. Wroclaw. 1970, 23, 233.
55. [55]
  (55) Maciejewski, M.; Brunner, T. J.; Loher, S. F.; Stark, W. J.; Baiker, A. Thermochim. Acta 2008, 468 (1-2), 75. doi: 10.1016/j.tca.2007.11.022
56. [56]
  (56) Tromel, G.; Fix, W. Arch. Eisenhuettenwes 1962, 33, 745.
57. [57]
  (57) Parodi, J. A.; Hickok, R. L.; Segelken, W. G.; Cooper, J. R. J. Electrochem. Soc. 1965, 112 (7), 688. doi: 10.1149/1.2423665
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Thermodynamic Assessment of the M -P2O5 and CaO-P2O5 Systems

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通讯作者: 陈斌, bchen63@163.com

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