Quantum mechanics applied to ionic dissociation in a (Li, K)X binary melt (X = F, Cl, Br, or I)

Journal of the Electrochemical Society

Volumn 144, Issue 3, 1997, Pages 980-984

  Hébant, Pascal ^a   Picard, Gérard S ^a  

^a PSL RESEARCH UNIVERSITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; ELECTRIC CONDUCTIVITY OF LIQUIDS; IONS; MOLTEN MATERIALS; QUANTUM THEORY; THERMOANALYSIS;

BINARY HALIDES; COMPLEX IONS;

LITHIUM COMPOUNDS;

EID: 0031099338     PISSN: 00134651     EISSN: None     Source Type: Journal    
DOI: 10.1149/1.1837516     Document Type: Article

References (31)

1. P. Hébant, G. Picard, L. Mouron, and J. J. Legendre, J. Am. Inst. Phys., 364, 540 (1995).
2. F. Lantelme and P. Turq, J. Phys. Chem., 77, 3177 (1981).
3. I. Okada, R. Takagi and K. Kawamura, Z. Naturforsch., 35a, 493 (1980).
4. I. Okada, ibid., 39a, 880 (1984).
5. I. Okada, ibid., 42a, 21 (1987).
6. P. Hébant and G. S. Picard, J. Mol. Struct. (Theochem), 358, 39 (1995).
7. J. L. Gázquez, in Chemical Hardness, Vol. 80, Coll. Structure and Bonding, K. D. Sen, Editor, Springer-Verlag, Berlin (1993).
8. P. K. Chatteraj and R. G. Parr, ibid.
9. B. Delley, J. Chem Phys. 92, 508 (1990).
10. B. Delley, in Density Functional Methods in Chemistry, J. K. Labanowski and J. W. Andzelm, Editors, Spnnger-Verlag, New York (1991).
11. R.G. Parr, Ann. Rev. Phys. Chem., 34, 631 (1983).
12. J. Callaway and N. H. March, Solid State Phyt., 38, 135 (1984).
13. R. O. Jones and O. Gunnarsson, Rev. Mod. Phys., 61, 889 (1989).
14. DMol 2.3.5 User Guide, Biosym Technologies, San Diego, CA (1993).
15. A. D. Becke, J. Chem. Phys., 88, 2547 (1988).
16. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B. 37, 785 (1988).
17. JANAF Thermochemical Tables, M. W. Chase, Jr., C. A. Davies, J. R. Downey Jr., D. J. Frurip, R. A. McDonald, and A. N. Syverud, Editors, Coll. J. Phys. Chem. Ref. Data, 14, Suppl. 1, American Chemical Society-American Institute of Physics, New York (1985).
18. I. Barin, Thermochemical Data of Pure Substances, VCH, Weinheim (1989).
19. F. Bouyer, G. Picard, and J. J. Legendre, J. Chem. Inf. Comput. Sci., 36, 684 (1996).
20. O. Kubaschewski and E. Evans, La Thermochimie en Métallurgie, Gauthier-Villars, Paris (1964).
21. T. Hirano, in Mopac Manual, 6th ed., Franck J. Seiler Research Laboratory, U.S. Air Force Academy (1990).
22. Mathematica 2.2, Wolfram Research Inc. (1994).
23. P. Hébant and G. S. Picard, J. Mol. Struct. (Theochem), 390, 12 (1997).
24. E. R. Van Artsdalen and I. S. Yaffe, J. Phys. Chem., 59, 118 (1955).
25. Properties of Molten Salts Database 2.0, G. J. Janz, Editor, National Institute of Standards and Technology, Washington, DC (1992).
26. M. Olteanu and S. Zuca, Rev. Roum. Chim., 30, 909 (1985).
27. Y. K. Delimarskii and B. F. Markov, Electrochemistry of Fused Salts, The Sigma Press, Washington, DC (1961).
28. R. G. Parr and W. Yang, J. Am. Chem. Soc., 106, 4049 (1984).
29. P. Hébant, C. Bessada, and G. Picard, To be published.
30. Phase Diagrams for Ceramist, E. M. Levin, C. R. Robbins, and H. F. McMurdie, Editors, The American Ceramic Society Inc., Columbus (1964-1989).
31. E. Elchardus and P. Laffitte, Bull. Soc. Chim., 51, 1572 (1932).