A METHOD FOR ESTIMATING THE EFFECTIVE PAIR POTENTIALS OF MOLTEN-SALTSFROM MEASURED STRUCTURAL DATA

A new method has been proposed for estimating the effective pair poten tials of a molten salt from the experimental structural data. The basi c idea was taken from a ''predictor-corrector method'' originally prop osed by Reatto et al. in 1986 for a single component liquid system. Th e present method appears to hold promise in reducing difficulty associ ated with a 1/Q(2) singularity arising from the long-range 1/r behavio r of the direct correlation function for a Coulombic interacting liqui d. The usefulness of this method was tested by estimating the effectiv e pair potentials of molten NaCl, considering one of the typical ionic liquids, from the experimental structural data reported by Biggin and Enderby in 1982. The resultant potentials are found to improve those of Tosi and Fumi extensively used.