The effect of solvent fluctuations on the rate of electron transfer reactions is considered using linear response theory and a second-order cumulant expansion. An expression is obtained for the rate constant in terms of the dielectric response function of the solvent. It is shown thereby that this expression, which is usually derived using a molecular harmonic oscillator ~‘‘spin-boson’’! model,...

We present a thermodynamic model for mineral dissolution in aqueous fluids at elevated temperatures and pressures, based on intrinsic thermal properties and variations of volumetric properties of the aqueous solvent. The standard thermodynamic properties of mineral dissolution into aqueous fluid consist of two contributions: one from the energy of transformation from the solid to the hydrated-s...

The Poisson-Boltzmann equation is widely used for modeling the electrostatics of biomolecules, but the calculation results are sensitive to the choice of the boundary between the low solute dielectric and the high solvent dielectric. The default choice for the dielectric boundary has been the molecular surface, but the use of the van der Waals surface has also been advocated. Here we review rec...

The single-site Solvation, Bond Strength, and Electrostatic (SBE) model accounts for the anomalous position of silica onthe surface acidity versus aqueous acidity correlation developed for metal oxides, by considering the solvation energy change in the protonation reaction implemented through the dielectric constant (1/epsilon(k)) and the electrostatic energy change through the Pauling bond str...

Anodization of zircaloy-4 in 0.1M ammonium oxalate has been carried out. Kinetics of anodic oxidation of zircaloy-4 has been studied at a constant current density of 8mA.cm-2 and at room temperature. Thickness estimates were made from capacitance data. The plots of formation voltage vs. time, reciprocal capacitance vs. time, reciprocal capacitance vs. formation voltage and thickness vs. formati...

In order to simulate the effects of hydrostatic pressure on protein folding/unfolding it is necessary to accurately describe the behavior of the dielectric constant and the density of the solvent (water), in the range of pressures (between 0.1 MPa and 2.0 GPa) and temperatures (below 75 ̊ C) required for pressure-induced unfolding. A simple equation of the form X = X (T, Pi) + a0 ln (ai+ P)/(ai ...

This paper demonstrates, the effect of dielectric superstrates on the performance of coaxial probe fed circular patch microstrip antenna with and without dielectric superstrates. The antenna can be designed at 2.4 GHz(ISM band) frequency and fabricated on Arlon diclad substrate, whose dielectric constant ( is 2.2. The theoretical formulation has been studied using cavity model analysis. In this...

The dissociation constant is a quantitative measure of the strength an acid in solution. This study examines for series substituted acids like Ortho-alkoxy-4-formylbenzoic acid. use (2-methoxy ethanol) as solvent contributed to expected form free ions or separated ion pair which has been studied with conductometric method at different temperatures ranged from 293.15 318.15K. aims figuring out c...