Entropy convergence in the hydration thermodynamics of n-alcohols
Article Abstract:
Entropy convergence in the hydration thermodynamics of n-alcohols is shown to occur at about 125 degree Celsius using experimental data from the literature. The phenomenon is reproduced in a more-than-qualitative manner by means of a theoretical approach that accounts for the entropy contributions associated with creation of a cavity in water, turning on solute-water van der Waals interactions, and turning on the solute-water H-bonding potential.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
Comment on "free energy of transfer of a solute and its relation to the partition constant"
Article Abstract:
The correct relationship between the free energy of transfer of a molecule between two phases and the corresponding partition constant, proposed that a discrepancy remains that appears to be related to the free volume in the liquid phase and that can be quantified by an empirical linear regression with the surface tension of the liquid phase. The result should help to improve the thermodynamic understanding of partioning.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
On the intactness of hydrogen bonds around nonpolar solutes dissolved in water
Article Abstract:
Angell developed a simple two-state model of hydrogen bonds with the main aim to describe some of the properties of pure water. It is shown that, to correctly reproduce a qualitative feature of the temperature dependence of the hydration heat capacity change of nonpolar solutes by mean of the two-state Muller's model, the hydrogen bonds in the hydration shell have to be more broken than those in bulk water.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Counterion effect on the thermodynamics of micellization of alkyl sulfates. Synthetic macroporous silicas with multilamellar structure
- Abstracts: Structural control of the photodynamics of Boron-dipyrrin complexes. Effects of hydrogen bonding and structure of the accessory bacteriochlorophylls on charge separation in Rb. capsulatus reaction centers
- Abstracts: Low-frequency vibrational spectrum of water in the hydration layer of a protein: a molecular dynamics simulation study
- Abstracts: NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulations. Cisplatin binding to DNA oligomers from hybrid car-parrinello/molecular dynamics simulations
- Abstracts: Supramolecular catalysts for the gas-phase synthesis of single-walled carbon nanotubes. Size control of metal nanoparticle catalysts for the gas-phase synthesis of single-walled carbon nanotubes