Physical Review E [LCSOM]

Abstract:

The theory developed in an accompanying paper [Déjardin, Phys. Rev. E105, 024109 (2022)] is used to compute the Kirkwood correlation factor of simple polar fluids of different nature. From this calculation, the theoretical static permittivity is readily obtained, which is compared with experimental values. This is accomplished by fitting only one parameter accounting for induction or dispersion forces and torques, which is necessarily connected with the individual molecular polarizability but not explicitly related to the physical properties due to the nonadditivity of such energies. Excellent agreement between theoretical and experimental static permittivities is obtained over a very broad temperature range for a number of associated and nonassociated liquids. Finally, limitations of the present theory are given.

Reference :

Pierre-Michel Déjardin, Florian Pabst, Yann Cornaton, Andreas Helbling, and Thomas Blochowicz

Temperature dependence of the Kirkwood correlation factor and linear dielectric constant of simple isotropic polar fluids

Phys. Rev. E, 105, 024108 – Published 8 February 2022 - DOI: https://doi.org/10.1103/PhysRevE.105.024108

Contact :

Yann Cornaton, équipe LCSOM, Institut de Chimie (UMR 7177).