Gibbs free energy of hydrogen bonding of aliphatic alcohols with liquid water at 298K

2012 ◽  
Vol 315 ◽  
pp. 16-20 ◽  
Author(s):  
Igor A. Sedov ◽  
Boris N. Solomonov
Keyword(s):  
Free Energy ◽  
Hydrogen Bonding ◽  
Gibbs Free Energy ◽  
Liquid Water ◽  
Aliphatic Alcohols

scholarly journals Gibbs free energy of liquid water derived from infrared measurements

2014 ◽  
Vol 16 (45) ◽  
pp. 24830-24840 ◽  
Author(s):  
Isabelle Bergonzi ◽  
Lionel Mercury ◽  
Jean-Blaise Brubach ◽  
Pascale Roy
Keyword(s):  
Free Energy ◽  
Gibbs Free Energy ◽  
Liquid Water ◽  
Absorption Bands ◽  
Thermal Range ◽  
Infrared Measurements ◽  
Ir Bands

A completely new set of IR bands of liquid water from 4 cm−1 to 4000 cm−1 is studied from spectroscopic and thermodynamic viewpoints over a large thermal range, evidencing the so-called isosbestic points on the different absorption bands.

scholarly journals The End of Ice I

2019 ◽  
Author(s):  
Daniel R. Moberg ◽  
Daniel Becker ◽  
Christoph W. Dierking ◽  
Florian Zurheide ◽  
Bernhard Bandow ◽  
...  
Keyword(s):  
Free Energy ◽  
Hydrogen Bonding ◽  
Liquid Water ◽  
Size Range ◽  
Volume Ratio ◽  
Bulk Water ◽  
Phase Coexistence ◽  
Water Molecules ◽  
First Order ◽  
Hydrogen Bonding Pattern

<div> <div> <div> <p>The appearance of ice I in the smallest possible clusters and the nature of its phase coexistence with liquid water could not thus far be unravelled. The experimental and theoretical infrared spectroscopic and free energy results of this work show the emergence of the characteristic hydrogen bonding pattern of ice I in clusters containing only around 90 water molecules. The onset of crystallization is accompanied by an increase of surface oscillator intensity with decreasing surface to volume ratio, a new spectral indicator of nanoscale crystallinity of water. In the size range from 90 to 150 water molecules, we observe mixtures of largely crystalline and purely amorphous clusters. Our analysis suggests that the liquid-ice I transition in clusters loses its sharp first-order character at the end of the crystalline size regime and occurs over a range of temperatures through heterophasic oscillations in time, a process without analog in bulk water.</p></div></div></div>

scholarly journals The end of ice I

2019 ◽  
Vol 116 (49) ◽  
pp. 24413-24419 ◽  
Author(s):  
Daniel R. Moberg ◽  
Daniel Becker ◽  
Christoph W. Dierking ◽  
Florian Zurheide ◽  
Bernhard Bandow ◽  
...  
Keyword(s):  
Free Energy ◽  
Hydrogen Bonding ◽  
Liquid Water ◽  
Size Range ◽  
Volume Ratio ◽  
Bulk Water ◽  
Phase Coexistence ◽  
Crystalline Size ◽  
Water Molecules ◽  
Hydrogen Bonding Pattern

The appearance of ice I in the smallest possible clusters and the nature of its phase coexistence with liquid water could not thus far be unraveled. The experimental and theoretical infrared spectroscopic and free-energy results of this work show the emergence of the characteristic hydrogen-bonding pattern of ice I in clusters containing only around 90 water molecules. The onset of crystallization is accompanied by an increase of surface oscillator intensity with decreasing surface-to-volume ratio, a spectral indicator of nanoscale crystallinity of water. In the size range from 90 to 150 water molecules, we observe mixtures of largely crystalline and purely amorphous clusters. Our analysis suggests that the liquid–ice I transition in clusters loses its sharp 1st-order character at the end of the crystalline-size regime and occurs over a range of temperatures through heterophasic oscillations in time, a process without analog in bulk water.

The End of Ice I

2019 ◽  
Author(s):  
Daniel R. Moberg ◽  
Daniel Becker ◽  
Christoph W. Dierking ◽  
Florian Zurheide ◽  
Bernhard Bandow ◽  
...  
Keyword(s):  
Free Energy ◽  
Hydrogen Bonding ◽  
Liquid Water ◽  
Size Range ◽  
Volume Ratio ◽  
Bulk Water ◽  
Phase Coexistence ◽  
Water Molecules ◽  
First Order ◽  
Hydrogen Bonding Pattern

<div> <div> <div> <p>The appearance of ice I in the smallest possible clusters and the nature of its phase coexistence with liquid water could not thus far be unravelled. The experimental and theoretical infrared spectroscopic and free energy results of this work show the emergence of the characteristic hydrogen bonding pattern of ice I in clusters containing only around 90 water molecules. The onset of crystallization is accompanied by an increase of surface oscillator intensity with decreasing surface to volume ratio, a new spectral indicator of nanoscale crystallinity of water. In the size range from 90 to 150 water molecules, we observe mixtures of largely crystalline and purely amorphous clusters. Our analysis suggests that the liquid-ice I transition in clusters loses its sharp first-order character at the end of the crystalline size regime and occurs over a range of temperatures through heterophasic oscillations in time, a process without analog in bulk water.</p></div></div></div>

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