Molecular approach to the interpretation of the dielectric relaxation spectrum of a molecular glass former
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.
Gonzalez
MA
Institut Laue Langevin, Boiinsertion markte Postale 156, F-38042 Grenoble Cedex 9, France.
Enciso
E
Bermejo
FJ
Jimenez-Ruiz
M
Bee
M