Activity coefficient, and solubility

Wright, D.A., Sandler, S.I., and DeVoll, D. Infinite dilution activity coefficients and solubilities of halogenatedhydrocarbons in water at ambient temperature, iinviron. Sci. Tec/mo/., 26(9) 1828-1831, 1992. 

Furthermore, COSMO-RS is known to perform well for predictions of activity coefficients and solubilities in solvent mixtures [14,23] and in most cases reproduces solubility maxima correctly. A challenging problem case, however, the solubility of paracetamol in a water-dioxane mixture, is shown in Figure 9.3. Experimental data for the system paracetamol/water-dioxane have been taken from three different sources [31-33] and compared with COSMOt/term computations at the TZVP and the newer FINE parameterization [6]. 

In the case of an ideal system (y2 = 1), a solubility of X2 = 0.7345 would be obtained. For the determination of the correct benzene solubility at 260 K, the mole fraction X2 has to be determined for which the product X2 V2 results in an activity of U2 = 0.7345. The calculation must be performed iteratively, since the activity coefficient y2 depends on composition. For a temperature of 260 K the following activity coefficient and solubility is obtained after a few iterations ... 

Fig. 2 Solution densities, vapour pressures, salt activity coefficients, and solubility behaviour of KBr/water solutions. Symbols represent experimental data, lines are ePC-SAFT modelling...

It stores information on vapor-liquid equilibria, liquid-liquid equilibria, solid-liquid equilibria, excess properties, activity coefficients, and solubility of gases. 

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