Results 211 to 220 of about 9,965 (254)
Some of the next articles are maybe not open access.
Systematic Thermodynamics of Hydration (and of Solvation) of Inorganic Solids
Inorganic Chemistry, 2009The thermodynamics of the formation of solid and liquid inorganic hydrates and ammoniates is examined. In earlier studies, average values of the Gibbs energy of reaction, Delta(r)G, assuming a constant additivity per mole of bound water, have been obtained and have suggested that hydration is always marginally thermodynamically favorable. More detailed
Glasser, Leslie, Jones, Franca
openaire +3 more sources
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).
openaire +1 more source
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).
openaire +1 more source
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
openaire +2 more sources
Partial Solvation Parameters and Mixture Thermodynamics
The Journal of Physical Chemistry B, 2012The recently introduced partial solvation parameters (PSPs) are molecular descriptors that combine elements from quantum mechanics with the QSPR/LSER/solvatochromic and solubility parameter approaches. Basic regularities and universalities exhibited by PSPs are examined in this work and the concepts of homosolvation, heterosolvation and solvation ...
openaire +2 more sources
Thermodynamic-Ensemble Independence of Solvation Free Energy
Journal of Chemical Theory and Computation, 2015Solvation free energy is the fundamental thermodynamic quantity in solution chemistry. Recently, it has been suggested that the partial molar volume correction is necessary to convert the solvation free energy determined in different thermodynamic ensembles.
Song-Ho, Chong, Sihyun, Ham
openaire +2 more sources
Chemosphere, 2012
Abraham solvation equations find widespread use in environmental chemistry. Until now, the intercept in these equations was determined by fitting experimental data. To simplify the determination of the coefficients in Abraham solvation equations, this study derives theoretical expressions for the value of the intercept for various partition processes ...
openaire +3 more sources
Abraham solvation equations find widespread use in environmental chemistry. Until now, the intercept in these equations was determined by fitting experimental data. To simplify the determination of the coefficients in Abraham solvation equations, this study derives theoretical expressions for the value of the intercept for various partition processes ...
openaire +3 more sources
On the Evolution of the Concept of Solvation Thermodynamics
Journal of Solution Chemistry, 2001The quantities, now referred to as Solvation Thermodynamics, have evolved from their predecessors, the standard thermodynamics of solution. While the former are defined for a molecular process of solvation, the latter were based on a macroscopic thermodynamic process. It is shown that the solvation Gibbs energy, ΔGs*, is the only genuine measure of the
openaire +1 more source
Russian Journal of General Chemistry, 2002
Applicability of a linear solvation-energy approach for descripition of the solvation enthalpies of nonelectrolytes is examined. In most cases a good fit of experimental solvation enthalpies can be attained. However, the resulting data are difficult to interpret in terms of different types of intermolecular interactions.
Solomonov B., Novikov V., Solomonov A.
openaire +3 more sources
Applicability of a linear solvation-energy approach for descripition of the solvation enthalpies of nonelectrolytes is examined. In most cases a good fit of experimental solvation enthalpies can be attained. However, the resulting data are difficult to interpret in terms of different types of intermolecular interactions.
Solomonov B., Novikov V., Solomonov A.
openaire +3 more sources
Proteins: Structure, Function, and Bioinformatics, 2008
AbstractProtein stability and solubility depend strongly on the presence of osmolytes, because of the protein preference to be solvated by either water or osmolyte. It has traditionally been assumed that only this relative preference can be measured, and that the individual solvation contributions of water and osmolyte are inaccessible.
Matthew, Auton +2 more
openaire +2 more sources
AbstractProtein stability and solubility depend strongly on the presence of osmolytes, because of the protein preference to be solvated by either water or osmolyte. It has traditionally been assumed that only this relative preference can be measured, and that the individual solvation contributions of water and osmolyte are inaccessible.
Matthew, Auton +2 more
openaire +2 more sources
A thermodynamic analysis of solvation in dipolar liquids
The Journal of Chemical Physics, 1996The chemical potential of infinitely dilute dipole solvation is dissected into parts of cavity formation, dispersion forces, and dipolar interactions. It is this latter part whose treatment is improved here over previous models by applying the Padé approximation for the perturbation expansion. In this way allowance is made for local solvent structuring
Dmitry V. Matyushov, Roland Schmid
openaire +1 more source