Journal article
Full-spectrum high-resolution modeling of the dielectric function of water
The Journal of Physical Chemistry B, Vol.124(15), pp.3103-3113
2020
Abstract
In view of the vital role of water, exact knowledge of its dielectric function over a large frequency range is important. We report on currently available measurements of the dielectric function of water at room temperature (25 °C) across the full spectrum: microwave, IR, UV, and X-ray (up to 100 eV). We parameterize the complex dielectric function of water with two Debye (microwave) oscillators and high resolution of IR and UV/X-ray oscillators. We also report dielectric parameters for ice-cold water with a microwave/IR spectrum measured at 0.4 °C, while taking the UV spectrum at 25 °C (assuming negligible temperature dependence in UV). We employ van der Waals dispersion interactions to contrast our model of ice-cold water with earlier models. Air bubbles in water and dissolved gas molecules show attraction toward interfaces rather than repulsion. The van der Waals interaction promotes complete freezing rather than supporting a thin layer of water on ice. We infer that premelting is driven by charge and ion adsorption. Density-based extrapolation from warm to cold water of the dielectric function is satisfactory in microwave but poor (40% error) at IR frequencies.
Details
- Title
- Full-spectrum high-resolution modeling of the dielectric function of water
- Authors/Creators
- J. Fiedler (Author/Creator) - University of OsloM. Boström (Author/Creator) - University of OsloC. Persson (Author/Creator) - University of OsloI. Brevik (Author/Creator) - Norwegian University of Science and TechnologyR. Corkery (Author/Creator) - KTH Royal Institute of TechnologyS.Y. Buhmann (Author/Creator) - University of FreiburgD.F. Parsons (Author/Creator) - Murdoch University
- Publication Details
- The Journal of Physical Chemistry B, Vol.124(15), pp.3103-3113
- Publisher
- American Chemical Society
- Identifiers
- 991005544513007891
- Copyright
- © 2020 American Chemical Society
- Murdoch Affiliation
- Chemistry and Physics
- Language
- English
- Resource Type
- Journal article
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- Citation topics
- 5 Physics
- 5.56 Quantum Mechanics
- 5.56.1685 Casimir Effects
- Web Of Science research areas
- Chemistry, Physical
- ESI research areas
- Chemistry