Complex Susceptibility of Liquid Water as a Two-Potential System of Reorienting Polar Molecules

Gaiduk, Vladimir I. and Gaiduk, Vladimir V. and McConnell, J. (1993) Complex Susceptibility of Liquid Water as a Two-Potential System of Reorienting Polar Molecules. (Preprint)

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Abstract

The theory elaborated in ref. 1 and 2 is applied to the calculation of the liquid water wide-band (0 < ν/cm^(-1) < 1000) dielectric spectra. These comprise the Debye relaxation region at the centimetre/millimetre wavelengths and the two-humped absorption coefficient frequency dependence in the far infrared (FIR) region. It is supposed that a major part of H2O molecules, called [L]-particles or [L]-molecules, are bonded by relatively strong H-bonds; [L]-molecules perform librations of relatively small amplitude β (β is about 20°). The remaining molecules called R-molecules have more rotational / translational mobility. A new microscopic molecular confined rotator / doble well potential (CR DWP) model of liquid water is developed. The contributions of [L]-and [R]-molecules to the complex permittivity ε are found on the basis of the confined rotator (CR) and the double well potential (DWP) models, with rectangular and cos^2(θ) intermolecular potential profiles, respectively. It is shown that the CR/DWP model gives a good description of the Debye relaxation and a qualitative description of FIR the dielectric spectra of water.

Item Type: Article
Divisions: School of Theoretical Physics > Preprints
Date Deposited: 19 Jun 2018 14:11
Last Modified: 19 Jul 2018 09:46
URI: http://dair.dias.ie/id/eprint/715

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