Effective Pair Potentials of a Binary Fluid Mixture and their Application to Molten Salts
Waseda, Y., Omote, K., Tamaki, S.
High Temperature Materials and Processes · 1997
doi:10.1515/htmp.1997.16.2.109 (opens in a new tab)
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Abstract
An attempt has been made to describe the effective pair potentials for a binary fluid mixture using the Percus-Yevick and Hypernetted Chain equations with the partial structural functions; pair distribution functions and structure factors.A new method has also been proposed for estimating the effective pair potentials in a binary fluid with a long-range Coulombic interaction coupled with measured structural data.The basic idea with the modified Hypernetted Chain equation was taken from a "predictor-corrector method" originally proposed by Reatto et al. in 1986 for a single component fluid.The capability of this new method was tested by estimating the effective panpotentials of molten NaCl, considering one of the typical ionic liquids.The usefulness of this method was demonstrated by obtaining the effective pair potentials of molten CuBr showing a particular structureless behavior in the Cu-Cu correlation.
Abstract licence: CC BY
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