Pitzer and Pitzer–Simonson–Clegg modeling approaches: Ternary HCl+ethanol+water electrolyte system

Modeling of the Ternary NH4Cl + ROH + Water Electrolyte Systems (with R = Me, Et, 1-Pr, and 2-Pr) by the Pitzer−Simonson−Clegg Approach and Its Modified Forms

“…However, it is interesting to note that these slightly higher σ values are obtained in the absence of any additional parameters in the Y 1nMX form proposed in this work. It should also be noted that the results obtained by Hu and Guo, Ferreira et al, , and our recently reported results, − as well as those obtained in this work, all confirm the necessity of using a modified composition-dependent Y 1nMX form, to obtain a better quality of fit of the experimental data. Finally, it can be concluded that both the PSC and the modified PSC models (proposed in this work) are able to correlate conveniently the experimental data with less parameters than the currently used Pitzer model. − Accordingly, for each series of investigated NH 4 Cl + ROH ( x %) + water [(100 − x ) %] electrolyte system, five PSC parameters compared to 15 Pitzer parameters [β (0) , β (1) , and C (φ) for all percent mass fractions x = (10, 20, 30, 40, and 50) %], are needed, respectively, for their modeling at (298.15 ± 0.05) K.…”

“…In these models, the solvent is no longer considered as a continuum, but its interaction with ionic and nonionic solutes is explicitly taken into account. Effectively, Pitzer and Simonson (PS) first presented an approach with applicability over the entire concentration range for the investigation of electrolyte systems containing ions of a symmetrical charge type. , This model was further extended by Clegg, Pitzer, and Brimblecombe to include arbitrary charge type electrolytes and an indefinite number of ionic and neutral species and also by using an extended Debye−Hückel expression (for long-range forces including composition-dependent terms), along with a four-suffix Margules expansion (for short-range forces). , Unexpectedly, there are still only a limited number of reported studies concerning the application of the latter method, particularly in its complete form, for modeling electrolyte systems. − In addition, a survey of the literature shows that the reported results, concerning the application of both Pitzer and PSC models, are mainly concerned with electrolytes in aqueous solution, and only a few of these treatments involve electrolytes in mixed solvents. ,− It is worth mentioning that some authors have even used the simplified version of this second model referred to as the PSC model. − …”

Electromotive Force Measurements and Thermodynamic Modelling of Sodium Chloride in Aqueous-Alcohol Solvents

“…In the end of the XX-th century the results of systematic thermodynamic investigations with ISEs were intensively published by Russian (St. Petersburg State University and Institute of Solution Chemistry, Russian Academy of Sciences) and Polish scientists from the Lodz University. At the present time the systematic and abundant publications in this branch of science belong to the Iranian investigators (Deyhimi et al, 2009;. The latter group are specialized in the development of many sensors, and particularly, carrier-based solvent polymeric membrane electrodes for the determination of activity coefficients in mixed solvent electrolyte solutions.…”