Molecular approach to the interpretation of the dielectric relaxation spectrum of a molecular glass former

ABSTRACT

The frequency-dependent dielectric function of ethanol at temperatures within the normal liquid range is evaluated by means of computer molecular dynamics simulations and compared with recent experimental data. The calculated spectra show a similar structure to those reported from experimental measurements and the temperature dependence of its most prominent bands also follows the experimental estimates. An attempt is also made to assign the most intense bands to specific molecular reorientations.