Results 231 to 240 of about 179,504 (276)
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Nonideal gas solvation thermodynamics
The Journal of Chemical Physics, 2007General 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, B, Widom
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Solvation Thermodynamics: Theory and Applications
The Journal of Physical Chemistry B, 2005Potential 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 +2 more
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Solvation of Proteins: Linking Thermodynamics to Geometry
Physical Review Letters, 2007We 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. +3 more
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Thermodynamics of Solvation in Mixed Solvents
Chemical Society Reviews, 1993Winfield Earle Waghorne
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Interfacial solvation thermodynamics
Journal of Physics: Condensed Matter, 2016Previous 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 ...
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A thermodynamic analysis of solvation
The Journal of Chemical Physics, 1988The 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
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Thermodynamics of solvation for methylproline peptides
Biopolymers, 1983AbstractWe 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
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The statistical thermodynamics of solvation
Theoretical and Experimental Chemistry, 1970Statistical 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.
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2006
Abstract The study of solvation thermodynamics has a very long history. Almost any experiment carried out in a solution necessarily involves solvation. Prior to the 1970s there were several quantities referred to as standard Gibbs energies of solution (or hydration, when the solvent is water).
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Abstract The study of solvation thermodynamics has a very long history. Almost any experiment carried out in a solution necessarily involves solvation. Prior to the 1970s there were several quantities referred to as standard Gibbs energies of solution (or hydration, when the solvent is water).
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A thermodynamic study of selective solvation in solvent mixtures
Organic & Biomolecular Chemistry, 2010Changes in the (31)P NMR chemical shift of tri-n-butylphosphine oxide have been measured as function of solvent composition in a number of binary solvent mixtures. The data were analysed using a model that separates the contributions of specific H-bond interactions with the first solvation shell and the non-specific effects of the bulk solvent on the ...
Rafel, Cabot, Christopher A, Hunter
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