Discrimination of Diverse (Pressure/Temperature-Dependent/Independent) Inherent Sub-structures in Liquid Water (D2O) from Difference Vibrational Spectroscopy

2004 ◽  
Vol 108 (39) ◽  
pp. 14796-14799 ◽  
Author(s):  
Dimitri E. Khoshtariya ◽  
Achim Zahl ◽  
Tina D. Dolidze ◽  
Anton Neubrand ◽  
Rudi van Eldik
Keyword(s):  
Vibrational Spectroscopy ◽  
Liquid Water ◽  
Temperature Dependent

The Temperature-Dependent Decomposition of SiO Studied by Infrared Vibrational Spectroscopy

2012 ◽  
Vol 66 (9) ◽  
pp. 1061-1066 ◽  
Author(s):  
Steffen Wetzel ◽  
Markus Klevenz ◽  
Annemarie Pucci ◽  
Hans-Peter Gail
Keyword(s):  
Vibrational Spectroscopy ◽  
Temperature Dependent

scholarly journals Using Attenuated Total Reflection (ATR) Apparatus to Investigate the Temperature Dependent Dielectric Properties of Water, Ice, and Tissue-Representative Fats

2021 ◽  
Author(s):  
Zoltan Vilagosh ◽  
Alireza Lajevardipour ◽  
Dominique Appadoo ◽  
Saulius Juodkazis ◽  
Andrew Wood
Keyword(s):  
Refractive Index ◽  
Dielectric Properties ◽  
Liquid Water ◽  
Complex Refractive Index ◽  
Rapid Change ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Temperature Dependent ◽  
Minimal Sample ◽  
Emulsified Water

A novel method of investigating the temperature dependent variation of aspects of the complex refractive index n* in samples in the THz range using continuous, non-polarised, synchrotron radiation is presented. The method relies on the use of ATR apparatus, and retains the advantage of minimal sample preparation, which is a feature of ATR techniques. The method demonstrates the viability of rapidly monitoring temperature reflectance whilst continuously heating or cooling samples by using a temperature variable Thermal Sample Stage. The method remains useful when the refractive index of the sample precludes attenuated total reflection study. This is demonstrated with the water reflectance experiments. The temperature dependent ATR reflectance of tissue-representative fats (lard and Lurpak® butter) was investigated with the novel approach. Both are within the ATR range of the diamond crystal in a “true” ATR mode. Lard showed no clear temperature variation between -15 0C and 24 0C at 0.7 to 1.15 THz or 1.70 to 2.25 THz. Lard can be regarded as having invariable, constant, dielectric properties within mixtures when biological substances are being assessed for temperature dependent dielectric variation within the stated THz ranges. Lurpak® butter (water content 14.7%) displayed temperature dependent reflectance features with a steady decline in reflectivity with increasing temperature. This is in line with the temperature-dependent behaviour of liquid water. There is no rapid change in reflectance, even at -20 0C, suggesting that emulsified water retains liquid-water-like THz properties at freezing temperatures.

Prediction of the Temperature-Dependent Thermal Conductivity and Shear Viscosity for Rigid Water Models

2012 ◽  
Vol 3 (3) ◽  
Author(s):  
Yijin Mao ◽  
Yuwen Zhang
Keyword(s):  
Experimental Data ◽  
Thermal Conductivity ◽  
Shear Viscosity ◽  
Liquid Water ◽  
Nonequilibrium Molecular Dynamics ◽  
Temperature Dependent ◽  
Temperature Range ◽  
Site Model ◽  
Water Models ◽  
Temperature Dependent Thermal Conductivity

The temperature-dependent thermal conductivity and shear viscosity of liquid water between 283 and 363 K are evaluated for eight rigid models with reverse nonequilibrium molecular dynamics (RNEMD). In comparison with experimental data, five-site models (TIP5P and TIP5P-Ew) have apparent advantages in estimating thermal conductivities than other rigid water models that overestimate the value by tens of percent. For shear viscosity, no single model can reproduce all experimental data; instead, five- and four-site models show their own strength in a certain temperature range. Meanwhile, all of the current rigid models obtain lower values than experimental data when temperature is lower than 298 K, while the TIP5P and TIP5P-Ew models can relatively accurately predict the values over others at a temperature range from 298 to 318 K. At a higher temperature range shear viscosity of liquid water can be reproduced with a four-site model (TIP4P-2005, TIP4P-Ew) fairly well.

Temperature-Dependent Hydrogen-Bond Geometry in Liquid Water

2003 ◽  
Vol 90 (7) ◽  
Author(s):  
Kristofer Modig ◽  
Bernd G. Pfrommer ◽  
Bertil Halle
Keyword(s):  
Hydrogen Bond ◽  
Liquid Water ◽  
Temperature Dependent

scholarly journals Temperature-dependent vibrational spectroscopy to study order-disorder transitions in charge transfer complexes

AIP Advances ◽  
2018 ◽  
Vol 8 (2) ◽  
pp. 025117 ◽  
Author(s):  
Rohan Isaac ◽  
Katelyn P. Goetz ◽  
Drew Roberts ◽  
Oana D. Jurchescu ◽  
L. E. McNeil
Keyword(s):  
Charge Transfer ◽  
Vibrational Spectroscopy ◽  
Charge Transfer Complexes ◽  
Temperature Dependent
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