THE FREQUENCY-DEPENDENT CONDUCTIVITY OF A SATURATED SOLUTION OF ZNBR2IN WATER - A MOLECULAR-DYNAMICS SIMULATION

The first part of this paper reviews the theory of the calculation of the frequency-dependent dielectric properties (i.e., conductivity and dielectric constant) of ionic solutions from computer simulations. Bas ed on a 2.2-ns molecular dynamics simulation, the second part presents a detailed analysis of the various contributions to the frequency-dep endent conductivity of a saturated solution of ZnBr2 in water. We find evidence for two separate relaxation channels in the frequency-depend ent conductivity, and a very low value for the static (i.e., zero freq uency) conductivity, which is consistent with the high degree of ion a ssociation and the prevalence of electrically neutral ion clusters tha t we observe in this system. (C) 1997 American Institute of Physics.