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Molecular Simulation Volume 6, 1991 - Issue 4-6
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Original Articles

Molecular Dynamics Simulation of a Molten Mixture of Lithium Bromide and Lithium Iodide

S. Itoh Department of Electronics and Information Sciences, The Nishi-Tokyo University, Yassawa, Uenohara-chou, Kitatsuru-gun, Yamanashi, 409-01, Japan
,
T. Matsuzawa Department of Electronics and Information Sciences, The Nishi-Tokyo University, Yassawa, Uenohara-chou, Kitatsuru-gun, Yamanashi, 409-01, Japan
,
M. Konagai Department of Electrical and Electronic Engineering, Tokyo Institute of Technology, O-okayama, Meguro-ku, Tokyo, 152, Japan
&
K. Takahashi Department of Electrical and Electronic Engineering, Tokyo Institute of Technology, O-okayama, Meguro-ku, Tokyo, 152, Japan
Pages 257-264 | Received 01 Jul 1990, Accepted 01 Jul 1990, Published online: 23 Sep 2006

References

  • Klemm , A. 1987 . “ Ionic mobilities ” . In Advances in Molten Salt Chemistry 6 , Edited by: Mamantov , G. Elsevier . ch. 1
  • Ljubimov , V. and Lundén , A. 1975 . Isotope effect of cation electromigration in molten lithium chloride-nitrate-mixtures. . Z. Naturforsch. , 30a : 75
  • Grjotheim , K. , Haugerod , O. , Stamnes , H. and Øye , H. A. 1972 . Transport numbers in molten fluorides-II. Mixtures between NaF–NaCl and NaF–NaBr. . Electrochim. Acta. , 17 : 1547
  • Okada , I. 1987 . MD-simulation of moltenCl at the eutectic composition. Self-exchange velocities of Li- and K-isotopes near the Cl–ions. . Z. Naturforsch. , 42a : 21 (Li, K)
  • Okada , I. , Takagi , R. and Kawamura , K. 1980 . A molecular dynamics simulation of moltenCl implying the Chemla effect of mobilities. . Z, Naturforsch. , 35a : 493 (Li-Rb)
  • Baluja , S. , Endoh , A. and Okada , I. 1988 . Self-exchange velocities in molten equimolar L predicting an anion Chemla effect. . Z. Naturforsch. , 43a : 1065 (Cl, Br)
  • Fumi , F. G. and Tosi , M. P. 1964 . Ionic sizes and born repulsive parameters in the NaCl-type alkali halides. . J. Phys. Chem. Solids , 25 : 31
  • Okada , I. , Okano , H. , Ohtaki , H. and Takagi , R. 1983 . Structural determination of a moltenCl mixture of the eutectic composition by x-ray diffraction and molecular dynamics simulation. . Chem. Phys. Lett. , 100 : 436 (Li-K)
  • Endoh , A. and Okada , I. 1989 . Self-exchange velocities in moltenCl of the eutectic composition reflecting the Chemla effect for the internal mobilities. . Z. Naturforsch. , 44a : 1131 (Li, Na, K)
  • Larsen , B. , Førland , T. and Singer , K. 1973 . A Monte Carlo calculation of thermodynamic properties for the liquid NaCl + KCl mixture. . Mol. Phys. , 26 : 1521
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  • Okada , I. , Matsui , Y. and Kawamura , Y. 1982 . Molecular dynamics simulation of the SiO2 melt. . Nippon Kagaku Kaishi , : 910 (in Japanese)
  • Woodcock , L. V. 1971 . Isothermal molecular dynamics calculations for liquid salts. . Chem. Phys. Lett. , 10 : 257
  • Itoh , S. , Konagai , M. and Takahashi , K. 1990 . Molecular dynamics study of molten lithium iodide. . Z. Naturforsch. , 45a in press
  • Lantelme , F. , Turq , P. and Schofield , P. 1977 . Mass dependence of the ionic dynamics in molten salts. . J. Chem. Phys. , 67 : 3869
  • Perie , J. and Chemla , M. 1960 . électromigration en contre-courant dans des mélanges d'halogénures fondus. . C.R. Acad. Sci. Paris , 250 : 3986
  • Okada , I. , Takagi , R. and Kawamura , K. 1979 . Internal cation mobilities in the molten systemNO3 and (Li-Cs)NO3. . Z. Naturforsch. , 34a : 498 (Li-Rb)

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