Computation of Electrical Conductivity of Multicomponent Aqueous Systems in Wide Concentration and Temperature Ranges

A comprehensive model for calculating the electrical conductivity of multicomponent aqueous systems has been developed. In the infinite-dilution limit, the temperature dependence of ionic conductivities is calculated on the basis of the concept of structure-breaking and structure-making ions. At finite concentrations, the concentration dependence of conductivity is calculated from the dielectric continuum-based mean-spherical-approximation (MSA) theory for the unrestricted primitive model. The MSA theory has been extended to concentrated solutions by using effective ionic radii. A mixing rule has been developed to predict the conductivity of multicomponent systems from those of constituent binary cation−anion subsystems. The effects of complexation are taken into account through a comprehensive speciation model coupled with a technique for predicting the limiting conductivities of complex species from those of simple ions. The model reproduces the conductivity of aqueous systems ranging from dilute to con...

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