Molecular dynamics simulation of dilute solutions of MeO and MeF2 in the CaO-CaF2 system

ISIJ International

Volumn 38, Issue 7, 1998, Pages 673-679

  Belashchenko, David K ^a   Ostrovski, Oleg I ^b   Utochkin, Yuri I ^a  

^a NATIONAL UNIVERSITY OF SCIENCE AND TECHNOLOGY MISIS   (Russian Federation)

^b UNIVERSITY OF NEW SOUTH WALES   (Australia)

Author keywords

Basicity; Coordination number; Interionic distance; Molecular dynamics; Oxide fluorides; Pair potential; Repulsion; Silicates; Slag; Solute; Thermodynamic activity

Indexed keywords

ALKALINITY; COMPOSITION; COMPUTER SIMULATION; FLUORINE COMPOUNDS; MOLECULAR DYNAMICS; OXIDES; SILICATES; SOLUTIONS; STRUCTURE (COMPOSITION);

ACTIVITY COEFFICIENT; COORDINATION NUMBER; INTERIONIC DISTANCE; MOLECULAR DYNAMIC SIMULATION; OXIDE FLUORIDE; PAIR POTENTIAL; REPULSION; SOLUTE; THERMODYNAMIC ACTIVITY;

SLAGS;

EID: 0031623008     PISSN: 09151559     EISSN: None     Source Type: Journal    
DOI: 10.2355/isijinternational.38.673     Document Type: Article

References (19)

1. Slag atlas, ed. by the Verein Deutscher Eisenhuttenleute, Verlag Stahleisen M.B.H., Dusseldorf, (1981).
2. V. Grigoryan, L. Belyanchikov and A. Stomakhin: Theoretical Principles of Electric Steelmaking, Mir Publishers, Moscow, (1983), in Russian.
3. O. I. Ostrovski, Yu. I. Utochkin, A. V. Pavlov and R. A. Akberdin: ISIJ Int., 34 (1994), 849.
4. Y.-D. Yang and J. O. Edstrom: Scand. J. Metall., 21 (1992), 202.
5. E. Martinez and N. Sano: Metall. Trans. B, 21B (1990), 105.
6. D. K. Belashchenko: Russ. J. Phys. Chem., 70 (1996), No. 10, 1764.
7. D. K. Belashchenko and O. I. Ostrovski: 5th Int. Conf. Molten Slags, Fluxes and Salts '97, ISS, (1996), 639.
8. D. K. Belashchenko: Inorganic Mater., 29 (1993), No. 7, 941.
9. D. K. Belashchenko, A. B. Grytsenko and O. I. Ostrovski: Russ. Metall. (Metally), 3 (1991), 47.
10. Molten Salts, Nat. Standard Reference Data Series, 1 (1968).
11. D. K. Belashchenko and S. Yu. Sapozsnikova: Russ. J. Phys. Chem., 71 (1997), No. 6, 1036.
12. D. K. Belashchenko: Russ. Metall. (Metally), 1 (1990), 166.
13. D. K. Belashchenko: Russ. J. Phys. Chem., 68 (1994), No. 8, 1390.
14. D. K. Belashchenko and O. I. Ostrovski: Russ. Metall. (Metally), 2 (1997), 41.
15. U. D. Veryatin V. P. Mashirev, N. G. Ryabtsev, V. I. Tarasov, B. D. Rogoskin and I. V. Korobov: Thermodynamic Properties of Inorganic Materials, Atomizdat, Moscow, (1965), in Russian.
16. S. R. Simenov, I. N. Ivanchev and A. V. Hainadjiev: ISIJ Int., 31 (1991), No. 12, 1396.
17. A. Bronson and G. R. St. Pierre: Metall. Trans., 12B (1981), 729.
18. C. J. B. Fincham and F. D. Richardson: Proc. R. Soc., A223 (1954), 40.
19. P. T. Carter and T. G. Macfarlane: J. Iron Steel Inst., 185 (1957), 60.