Absolute solvation coefficient

Experimental mobility values, 1.2 X 10-2 cm2/v.s. for eam and 1.9 x 10-3 cm2/v.s. for eh, indicate a localized electron with a low-density first solvation layer. This, together with the temperature coefficient, is consistent with the semicontinuum models. Considering an effective radius given by the ground state wave-function, the absolute mobility calculated in a brownian motion model comes close to the experimental value. The activation energy for mobility, attributed to that of viscosity in this model, also is in fair agreement with experiment, although a little lower. 

Vs,mm and Vs are negative, this means that each term except e is promoting solvation. Equation (10) is one of the few GIPF relationships that include Vmin, the overall most negative value of the electrostatic potential. The correlation coefficient for Eq. (10) is R = 0.988 the average absolute deviation from experiment is 0.27 kcal/mole for AGsoivation values varying over 9.59 kcal/mole. 

A linear solvation energy relationship (LSER) has been developed to predict the water-supercritical CO2 partition coefficients for a published collection of data. The independent variables in the model are empirically determined descriptors of the solute and solvent molecules. The LSER approach provides an average absolute relative deviation of 22% in the prediction of the water-supercritical CO2 partition coefficients for the six solutes considered. Results suggest that other types of equilibrium processes in supercritical fluids may be modeled using a LSER approach (Lagalante and Bruno, 1998). 

Table 11.3 Absolute free energies of solvation (kcal mol ) and chloroform/water partition coefficients (logio units) for nucleic acid bases at the SM5.4/AM1 Icvcf ...

Born Treatment. Several attempts have been made to evaluate absolute ionic entropies by means of the Born equation (eqn. 2.11.18) or the modified Born equation. The method consists mainly of employing the temperature coefficient of the ionic free energies of solvation as discussed in sect. 2.11.2 to obtain the entropy of solvation. The entropy of the individual gaseous ions can be calculated by the methods also discussed in sect. 2.11.2 and consequently ionic entropies evaluated. 

The formation of methoxide complexes was studied by measuring the pH in titrations, with methylate, of the chlorides and methylates of metals, in absolute methanol. The pH determinations were carried out with Pt/H or Pd/Hj electrodes, which were found to respond rapidly, reproducibly and strictly proportional to the logarithms of the concentrations of solvated protons. The problem of changing activity coefficients and ion-pair formation were... 

The term selectivity constant has been used for the coefficient although strictly speaking it is not constant, and with ion-exchange and ion-solvating electrodes is a function of the absolute ionic strengths of the measured and interfering ions. With the calcium-electrode in dilute solution (< O.IM) a selectivity coefficient fc a-Na ... 

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