Journal ArticleDOI
Measurements of the optical constants of liquid H 2 O and D 2 O between 6 and 450 cm −1
M. N. Afsar,J. B. Hasted +1 more
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In this article, the origin of the polarization in this region is discussed, and the optical constants of liquid water and liquid D2O at 19°C were measured over a greatly extended frequency range (6 <ν∼<450cm−1).Abstract:
Various advances in technique have enabled new measurements to be made over a greatly extended frequency range (6<ν∼<450cm−1) of the optical constants n(ν∼) and α(ν∼) of liquid water and liquid D2O at 19°C. The origin of the polarization in this region is discussed.read more
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Dynamical fluctuating charge force fields: Application to liquid water
TL;DR: In this article, a new molecular dynamics model in which the point charges on atomic sites are allowed to fluctuate in response to the environment is developed and applied to water, based on the concept of electronegativity equalization.
Journal ArticleDOI
A model for the complex permittivity of water at frequencies below 1 THz
TL;DR: In this paper, experimental permittivity data of liquid water, compiled from the open literature, were selectively applied to support a modeling strategy, which was carried out by employing nonlinear least-squares fitting routines to data considered reliable.
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Infrared Intensities of Liquids XX: The Intensity of the OH Stretching Band of Liquid Water Revisited, and the Best Current Values of the Optical Constants of H 2 O(l) at 25°C between 15,000 and 1 cm -1
John E. Bertie,Zhida Lan +1 more
TL;DR: In this paper, a new imaginary refractive index spectrum of water has been determined between 4000 and 700 cm-1 as the average of spectra calculated from ATR spectra recorded by four workers in their laboratory over the past seven years.
Journal ArticleDOI
Investigation of the temperature dependence of dielectric relaxation in liquid water by thz reflection spectroscopy and molecular dynamics simulation
Cecilie Ro,Lars Thrane,Per-Olof Åstrand,Anders Wallqvist,Kurt V. Mikkelsen,So,ren R. Keiding +6 more
TL;DR: In this paper, 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 K to 366.7 K were obtained with the use of THz time domain reflection spectroscopy.
Journal ArticleDOI
Permittivity of pure water, at standard atmospheric pressure, over the frequency range 0-25 THz and the temperature range 0-100 °C
TL;DR: In this paper, an interpolation function that precisely represents e(ν,t) at standard atmospheric pressure was derived for frequencies and temperatures in the ranges 0⩽ν⩻25THz and 0 ⩽t⩾100°C.
References
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Journal ArticleDOI
On the Theory of Dielectric Polarization
TL;DR: In this paper, the polarization of a nonpolar dielectric in a homogeneous field is investigated from a molecular point of view, and a series expansion for (e−1)v/3 of the following form is obtained.
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Molecular Dynamics Study of Temperature Effects on Water Structure and Kinetics
TL;DR: In this article, the Ben-Naim and Stillinger effective pair potential distribution function changes with temperature in such a way as to suggest a basic hydrogen-bond rupture mechanism characterized by an excitation energy of about 2.5 kcal/mole.
Journal ArticleDOI
The use of statistical theory in fitting equations to dielectric dispersion data
P.R. Mason,J.B. Hasted,L. Moore +2 more
TL;DR: In this article, a choice may be made on the basis of statistical theory between alternative dielectric dispersion equations hypothesised to fit sets of experimental data, and how to find the best values and probable ranges of the parameters in the equations.
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New techniques for dispersive Fourier transform spectrometry of liquids
TL;DR: In this paper, dispersive Fourier transform spectrometry (DFTS) is used for measuring the optical constants of liquids. But the use of windowed liquid cells enables amplitude reflection measurements to be carried out and this not only solves the liquid vapour problem, but also permits a very thin layer (10 μm) of absorbing liquid to be used.
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Submillimetre Wave Dielectric Dispersion in Water
TL;DR: In this article, a second relaxation process with characteristic time 0.53 × 10−13 s for H2O at 25°C and enthalpy of activation 1.8 ± 0.5 kcalorie mol−1, believed to arise from rotation of molecules (or hydroxyl groups) not breaking a hydrogen bond in doing so.