Acta Metallurgica Sinica (English Letters) ›› 1994, Vol. 7 ›› Issue (1): 68-71.

• Research paper • Previous Articles     Next Articles

THERMODYNAMIC PROPERTIES AND STRUCTURE CALCULATION OF ALKALI HALIDE MELTS WITH MONTE CARLO METHOD

XIE GangKunming Institute of Technology, Kunming, ChinaChen NianyiShanghai Institute of Metallurgy, Chinese Academy of Sciences, Shanghai, China   

  • Received:1994-02-25 Revised:1994-02-25 Online:1994-02-25 Published:2009-10-10

Abstract: With Fumi-Tosi interaction potential, the thermodynamic properties and the structure of alkali halide melts have been calculated using Monte Carlo computer simulation. The ratial distribution function ,ionic coordination number and the local structure were computed for several systems. The obtained equilibrium properties are in good agreement with the experimental results.

Key words: molten salt, computer simulation, thermodynamic property.