Electrolytes affect the activity coefficients of dissolved organic compounds in aqueous solutions (“salting in” and “salting out”). Is this included in the model?
Not yet. The simple expressions used to represent these effects are suitable only for relatively dilute solutions, and we also don’t have a way of predicting the salt effect based on molecular structure. Because of this, activities in mixed inorganic/organic aqueous solutions are significantly more uncertain than those calculated for systems containing only inorganic electrolytes (for which the models are based on measurements), or mixtures of organic compounds. (The command line version of the E-AIM code contains parameters for describing salt effects on dissolved organic compounds, and these parameters can be assigned by the user. Contact S.
