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Temperature (K) 253 293 333 δs (m3) 1.830 ×10−2 1.328 ×10−2 9.863 ×10−3 bs (m9/2) εsolvent 1.606 ×10−4 40 1.088 ×10−4 33 7.595 ×10−5 28 Table 6.1: Parameters for KCl with PLL ments (δs) found are very reasonable values and are in the ranges often found for other salts in aqueous electrolytes [104]. Lastly, the dielectric constants found are decreas- ing with increasing temperature, as expected. The only concern may be that they appear to be converging on the same value at high concentration, which may not be quite physically correct. 6.5 Conclusions In this work we presented two simple formulas for calculating the salt activity coef- ficient. The first formula, a simple extension of the Debye-Huckel theory by taking in account solvent effects via the Born energy is already able to predict activity coef- ficients much more effectively than the Debye-Huckel theory alone. However, it still has significant short-comings. One short-coming, the omission of correlation effects, is addressed in our second model in which we extend the first theory using the per- mittivity operator suggested by Bazant et al [8]. This second model is able to fit a wide range of aqueous and non-aqueous electrolytes with a maximum of two fitting parameters. All fitting parameters that were used were in the expected ranges, sug- gesting that the model can be quite useful in predicting activity coefficients for a wide range of electrolytes, though one important effect, the ion-water interactions, is still neglected in this model. 155PDF Image | Shock Electrodialysis for Water Purification and Electrostatic Correlations
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