Estimation of the Pitzer Parameters for 1–1, 2–1, 3–1, 4–1, and 2–2 Single Electrolytes at 25 °C

The Pitzer model is one of the most important thermodynamic models to predict the behavior of aqueous electrolyte solutions, especially at high ionic strengths. However, most of the parameters in the Pitzer equations have to be obtained experimentally and this represents an important drawback to this model. Therefore, in order to make the Pitzer equations less dependent on experimental data and more dependent on the properties of the solution, new equations that correlate the Pitzer equations with the properties of the solution have been successfully developed for 1-1, 2-1, 3-1, 4-1 and 2-2 electrolytes. In particular, these equations were developed for two cases: (i) considers the original Pitzer equations and (ii) considers some simplifications to the Pitzer equation (assuming CMX  , BMX (2) and 2 = 0). In particular, for case (ii), the second virial coefficients BMX (0) and BMX (1) of the Pitzer equations were re-estimated using published experimental data of the osmotic coefficient obtained from the literature. As a conclusion, both the simplified and the original Pitzer equations presented a very good match with this published experimental data for the osmotic coefficients. Additionally, the second virial coefficients BMX (0) and BMX (1) for both cases were successfully correlated with the ionic radius and the ionic charge, and this is confirmed by the very high coefficients of determination achieved (R2>0.96). However, these new equations are valid only to cases in which no significant ion association occurs, which is also the basic premise of the original Pitzer model.