Results 201 to 210 of about 9,965 (254)

Solvation thermodynamics of nonionic solutes

Journal of Chemical Physics, 1984
A generalized process of solvation is defined. It is argued that the thermodynamics of this solvation process is more informative as compared with other processes suggested before. Numerical examples are presented and compared with some recently published related data.
Marcus Y, Ben-Naim A
exaly   +2 more sources

Nonideal gas solvation thermodynamics

Journal of Chemical Physics, 2007
General expressions are obtained for the thermodynamic properties of nonideal gases of arbitrary composition. These include the equation of state and solvation thermodynamic functions of mixtures with any number of components, expanded to first order in total number density.
Dor Ben-Amotz, Widom B, Ben‐Amotz Dor   +2 more
exaly   +3 more sources

Thermodynamics of solvation in mixed solvents

Chemical Society Reviews, 1993
W Earle Waghorne
exaly   +2 more sources

Solvation Thermodynamics:  Theory and Applications

The Journal of Physical Chemistry B, 2005
Potential distribution and coupling parameter theories are combined to interrelate previous solvation thermodynamic results and derive several new expressions for the solvent reorganization energy at both constant volume and constant pressure. We further demonstrate that the usual decomposition of the chemical potential into noncompensating energetic ...
Dor, Ben-Amotz, Fernando O, Raineri, George, Stell   +2 more
openaire   +2 more sources

Solvation of Proteins: Linking Thermodynamics to Geometry

Physical Review Letters, 2007
We calculate the solvation free energy of proteins in the tube model of Banavar and Maritan [Rev. Mod. Phys. 75, 23 (2003)10.1103/RevModPhys.75.23] using morphological thermodynamics which is based on Hadwiger's theorem of integral geometry. Thereby we extend recent results by Snir and Kamien [Science 307, 1067 (2005)10.1126/science.1106243] to hard ...
Hansen-Goos, H., Roth, R., Mecke, K., Dietrich, S.   +3 more
openaire   +3 more sources

Interfacial solvation thermodynamics

Journal of Physics: Condensed Matter, 2016
Previous studies have reached conflicting conclusions regarding the interplay of cavity formation, polarizability, desolvation, and surface capillary waves in driving the interfacial adsorptions of ions and molecules at air-water interfaces. Here we revisit these questions by combining exact potential distribution results with linear response theory ...
openaire   +2 more sources

A thermodynamic analysis of solvation

The Journal of Chemical Physics, 1988
The free energy, energy, and entropy of solvation, relative to the pure liquid, are analyzed. By a coupling parameter integration it is shown that only averages over the solute–solvent interaction energy contribute to the free energy and that the solvent–solvent interaction term, which contributes the so-called cavity (solvent reorganization) term to ...
Hsiang-Ai Yu, Martin Karplus
openaire   +1 more source

Solvation thermodynamics of cyclohe×ane

Canadian Journal of Chemistry, 2000
The solvation thermodynamics of cyclohexane in pure liquid phase and in water is analyzed by means of the theoretical approach developed by Lee. The sum of the work of cavity creation and the dispersive solute–solvent interaction energy reproduces well the experimental Gibbs energy values over the whole temperature range 5–100°C. This implies that the
openaire   +1 more source

Thermodynamics of solvation for methylproline peptides

Biopolymers, 1983
AbstractWe have determined thermodynamic parameters for transfer of N‐acetyl,N′‐methylamide derivatives of proline and methylprolines from carbon tetrachloride and from chloroform to water. The hydrophilic nature of the diamide model peptides is demonstrated by the negative free energies and enthalpies for transfer.
Vincent Madison, Norma G. Delaney
openaire   +1 more source

The statistical thermodynamics of solvation

Theoretical and Experimental Chemistry, 1970
Statistical mechanics provides the basis for a rigorous theory of molecules and molecular complexes in chemically inert media. It is found that the free energy of solvation may be calculated, provided the distribution function for the solvent molecules around the solute molecules is known.
openaire   +1 more source