Can Molecular Dynamics Help in Understanding Dielectric Phenomena?

Molecular Dynamics (MD) is a modeling technique widely used in material science as well as in chemical physics, biochemistry and biophysics. MD is based on "first principles", allowing for computation of the physical characteristics of a material, such as its density, heat capacity, isothermal compressibility and also dielectric constant and relaxation. The approach is based on classical physics approach and statistical mechanics. Although a number of papers exist in the literature, concerning the study of the dielectric properties of liquid and solid materials, the MD approach appears to be almost ignored in the electromagnetic aquametry community. In this paper we present a brief overview of MD and then we use a simple example, a mixture of ethanol and water at various concentrations, to introduce MD as a theoretical tool for investigating the dielectric behavior of more complex moist substances.