Pressure and temperature dependence of hydrophobic hydration: Volumetric, compressibility, and thermodynamic signatures

2007 ◽  
Vol 126 (11) ◽  
pp. 114507 ◽  
Author(s):  
Maria Sabaye Moghaddam ◽  
Hue Sun Chan
Keyword(s):  
Temperature Dependence ◽  
Hydrophobic Hydration ◽  
Thermodynamic Signatures

Assessing the thermodynamic signatures of hydrophobic hydration for several common water models

2010 ◽  
Vol 132 (12) ◽  
pp. 124504 ◽  
Author(s):  
Henry S. Ashbaugh ◽  
Nicholas J. Collett ◽  
Harold W. Hatch ◽  
Jennifer A. Staton
Keyword(s):  
Hydrophobic Hydration ◽  
Water Models ◽  
Thermodynamic Signatures

Size and temperature dependence of hydrocarbon solubility in concentrated aqueous solutions of urea and guanidine hydrochloride

2002 ◽  
Vol 80 (4) ◽  
pp. 388-400 ◽  
Author(s):  
Giuseppe Graziano
Keyword(s):  
Temperature Dependence ◽  
Interaction Energy ◽  
Guanidine Hydrochloride ◽  
Van Der Waals ◽  
Hydrophobic Hydration ◽  
Van Der Waals Interaction ◽  
Threshold Size ◽  
Aqueous Urea ◽  
Work Of Cavity Creation ◽  
The Difference

At 25°C, methane and ethane are more soluble in water than in 7 M aqueous urea or 4.9 M aqueous guanidine hydrochloride (GuHCl); the reverse is true for larger hydrocarbons. In addition, the hydrocarbon solubility in 7 M aqueous urea or 4.9 M aqueous GuHCl increases compared with that in water on raising the temperature in the range of 5–45°C. These experimental data have not yet been rationalized. Using a well-founded theory of hydrophobic hydration, the present analysis indicates that the transfer of hydrocarbons from water to 7 M aqueous urea or to 4.9 M aqueous GuHCl is favored by the difference in the solute–solvent van der Waals interaction energy, and contrasted by the difference in the work of cavity creation. At room temperature, on increasing the hydrocarbon size, the first contribution rises in magnitude more rapidly than the second contribution, accounting for the threshold size occurrence. Moreover, the second contribution decreases in magnitude with an increase in temperature, becoming less unfavorable, while the first contribution is practically constant in the range of 5–45°C. The different temperature dependence of the work of cavity creation in such solvent systems is due to the fact that the density of 7 M aqueous urea and 4.9 M aqueous GuHCl decreases more rapidly than that of water when raising the temperature. The relationship between the density of a liquid and the work to create a cavity in it is discussed in detail.Key words: work of cavity creation, solute-solvent van der Waals interaction energy, H-bond reorganization.

Temperature Dependence of Hydrophobic Hydration Dynamics: From Retardation to Acceleration

2014 ◽  
Vol 118 (6) ◽  
pp. 1574-1583 ◽  
Author(s):  
Elise Duboué-Dijon ◽  
Aoife C. Fogarty ◽  
Damien Laage
Keyword(s):  
Temperature Dependence ◽  
Hydrophobic Hydration ◽  
Hydration Dynamics

Thermodynamical detection of hydrophobic hydration of tris(2,4-pentanedionato)-cobalt(III) and tris(3,5-heptanedionato)cobalt(III) in water

1991 ◽  
Vol 69 (9) ◽  
pp. 1388-1393 ◽  
Author(s):  
Yasuki Yoshimura
Keyword(s):  
Free Energy ◽  
Aqueous Solutions ◽  
Temperature Dependence ◽  
Key Words ◽  
Thermodynamic Parameters ◽  
Hydrophobic Hydration ◽  
Thermodynamic Quantities ◽  
Temperature Range ◽  
Entropy Formula ◽  
Energy Formula

The solubilities of tris(2,4-pentanedionato)cobalt(III) and tris(3,5-heptanedionato)cobalt(III) in water, heptane, and 1,2-ethanediol were determined over the temperature range 5–50 °C and from these data the thermodynamic quantities of solution at 25 °C were estimated. The free energy [Formula: see text], enthalpy [Formula: see text], and entropy [Formula: see text] of transfer of these chelates from heptane to some solvents were calculated from the corresponding thermodynamic quantities of solution. When [Formula: see text] and [Formula: see text] were separately plotted against [Formula: see text], the data of transfer from heptane to water deviated markedly from a correlation obtained for the data of transfer to the solvents other than water. This finding indicates that these chelates are subject to hydrophobic hydration in their aqueous solutions. The solubility of tris(glycinato)cobalt(III) in water was also determined over the temperature range 5–60 °C and its temperature dependence of the solubility is compared with that for the cobalt(III) chelates of the β-diketones. Key words: tris cobalt(III) chelates of β-diketones and glycine, temperature dependence of solubility, thermodynamic parameters of solution, thermodynamic parameters of transfer, hydrophobic hydration.

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