Correlation and Prediction of Thermodynamic Properties of Nonaqueous Electrolytes by the Modified TCPC Model

摘要

In this work,the modified three-characteristic-parameter correlation model was introduced to correlate and predict the thermodynamic properties,such as the mean activity coefficient,the osmotic coefficient,and the solvent activity,of different kinds of nonaqueous electrolyte solutions.Two sets of parameters,(b,S) and (b,S,n),for 46 single salts in methanol,ethanol,and 2-propanol,etc.,were regressed from literature data at 298.15 K.Results of standard deviations showed the good applicability of our model.The calculated results of the mean activity coefficient by our model and the Pitzer model have been compared with each other with good agreement.Smoothed experimental data of osmotic coefficients and solvent activities were calculated with the present model with three or two parameters,and the one with three parameters showed a better performance.We also extended this model for some nonaqueous systems at elevated temperatures,and we also found good consistency between the results calculated from our model and experimental data.Moreover,we further developed this model for calculating those in the mixed-solvent electrolyte systems.The results showed our modified model could adequately describe these complicated electrolyte solutions.