Transport properties of molten alkali halides
The transport properties of molten alkali halides have been calculated in molecular dynamics "experiments" based on rigid-ion pair potentials of the Huggins-Mayer form with parameters proposed by Tosi and Fumi. The coefficients of shear viscosity and electrical conductivity are obtained by computing the response of the system to a small applied field of the appropriate type, and the extension of the method to the calculation of current-current correlation functions of acoustic and optic character is also considered. Comparison with experimental data shows that the electrical conductivities are very well reproduced, but systematic discrepancies are found for diffusion coefficients and viscosities.