Solvation Effects on Reactions

Solvation can affect the equilibrium constant of a reaction in an SCF, expressed here in terms of mole fractions, K. The sensitivity to pressure is given by the standard thermodynamic relationship 

The reaction was monitored in situ spectroscopically, at reagent concentrations causing negligible self-association of 2-pyridone. The equilibrium con- 

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Onsager s reaction field model in its original fonn offers a description of major aspects of equilibrium solvation effects on reaction rates in solution that includes the basic physical ideas, but the inlierent simplifications seriously limit its practical use for quantitative predictions. It smce has been extended along several lines, some of which are briefly sunnnarized in the next section. 

Mineva T, Russo N and Sicilia E 1998 Solvation effects on reaction profiles by the polarizable continuum model coupled with Gaussian density functional method J. Oomp. Ohem. 19 290-9... 

Specific Solvation Effects on Reaction Rates 269 5.5.6 Solvent Influence on the Reactivity of Ambident Anions... 

Berne, Molecular Dynamics Study of an Isomerizing Diatomic in a Lennard-Jones Fluid, J. Chem. Phys., 89, 4833 (1988) b) B. J. Gertner, K. R. Wilson, J. T. Hynes, Nonequilibrium Solvation Effects on Reaction Rates for Model SN2 Reactions in Water,... 

Roberts, C. B., J. F. Brennecke, and J. E. Chateauneuf. 1995. Solvation effects on reactions of triplet benzophenone in supercritical fluids. American Institute of Chemical Engineers Journal. 41, 1306. 

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