INVESTIGATION OF THE TEMPERATURE DEPENDENCE OF DIELECTRIC RELAXATION IN LIQUID WATER BY THZ REFLECTION SPECTROSCOPY AND MOLECULAR DYNAMICS SIMULATION

@article{Ro1997INVESTIGATIONOT,
  title={INVESTIGATION OF THE TEMPERATURE DEPENDENCE OF DIELECTRIC RELAXATION IN LIQUID WATER BY THZ REFLECTION SPECTROSCOPY AND MOLECULAR DYNAMICS SIMULATION},
  author={Cecilie Ro and Lars Thrane and Per-Olof {\AA}strand and Anders Wallqvist and Kurt V. Mikkelsen and So and ren R. Keiding},
  journal={Journal of Chemical Physics},
  year={1997},
  volume={107},
  pages={5319-5331}
}
We report measurements of the real and imaginary part of the dielectric constant of liquid water in the far-infrared region from 0.1 to 2.0 THz in a temperature range from 271.1 to 366.7 K. The data have been obtained with the use of THz time domain reflection spectroscopy, utilizing ultrashort electromagnetic pulses generated from a photoconductive antenna driven by femtosecond laser pulses. A Debye model with an additional relaxation time is used to fit the frequency dependence of the complex… 

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References

SHOWING 1-10 OF 71 REFERENCES

A molecular dynamics study of the far infrared spectrum of liquid water

The far infrared spectrum of liquid water at room temperature is calculated by molecular dynamics simulation over the spectral range 0.5–1000 cm−1. It is shown that the experimental absorption

The Dielectric Properties of Water in Solutions

Results of dielectric constant and loss measurements at λ=9.22, 3.175, and 1.264 cm are given for a wide variety of aqueous solutions of ions and organic molecules. The water relaxation time is

The dielectric relaxation time of supercooled water

The complex dielectric constant of liquid water was measured at 9.61 GHz down to −18 °C by means of a two resonant cavities apparatus. The static dielectric constant of bulk samples was also measured

FAR-INFRARED DIELECTRIC PROPERTIES OF POLAR LIQUIDS PROBED BY FEMTOSECOND TERAHERTZ PULSE SPECTROSCOPY

We report the frequency-dependent optical constants, n(ν) and α(ν), or, equivalently, the complex permittivity e(ω) = e‘(ω) − ie‘‘(ω), over the frequency range from 2 to 50 cm-1 for water, methanol,

Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations

Recently a computer adapted theory suitable for evaluating the dielectric properties of polar systems has been proposed. It rests on the assumption that the system behaves like a macroscopic

Computer simulations of the dielectric properties of water: Studies of the simple point charge and transferrable intermolecular potential models

A series of very long molecular dynamics simulations has been completed for the rigid simple point charge (SPC) and transferrable intermolecular potential 4P (TIP4P) water models with reaction field

MOLECULAR DYNAMICS ANALYSIS OF CHARGE FLUCTUATIONS ASSOCIATED WITH FAR-INFRARED ABSORPTION IN WATER

Far-infrared absorption spectroscopy gives information on the charge fluctuations associated with hydrogen-bond dynamics in water. Here, we examine these fluctuations by calculating spectra from

Dielectric relaxation in water. Computer simulations with the TIP4P potential

In this second paper in a series of systematic investigations seeking to relate the dielectric properties of water to the features of the intermolecular potential, extensive molecular dynamics
...