Comparison Among Pitzer Model and Solvation Models. Calculation of Osmotic and Activity Coefficients and Dilution Enthalpy for Single-Electrolyte Aqueous Solutions
journal contributionposted on 05.07.2018, 00:00 by Javier Temoltzi-Avila, Gustavo A. Iglesias-Silva, Mariana Ramos-Estrada
We have compared the performance of the Pitzer model and solvation models in the correlation of the mean activity and osmotic coefficients of 338 electrolyte solutions at 298.15 K and the temperature dependence of 47 electrolyte solutions. We have collected and compared their performance using experimental data for 1:1, 1:2, 1:3, 1:4, 2:1, 2:2, 3:2, and 4:1 electrolyte solutions. We show that the performance of the Pitzer model is about 54% better than the other two models of all cases. The average standard deviations are 0.63, 1.41, and 1.47, for the Pitzer, and the solvation models, respectively, at 298.15 K. In the case of the temperature dependence, the Pitzer model is 91% better for the correlation of the activity and osmotic coefficients. However, it is only 9% better in the calculation of the dilution enthalpies in which the solvation models perform better.