A novel equation for predicting stability constants of aqueous metal complexes and actinide binding to protein

Metal complexation with various inorganic or organic ligands in aqueous solutions directly controls the solubility, sorption, and toxicity of toxic metals including radionuclides in natural environments. The quantitative calculations of metal complexation thus have been routinely used in predicting the fate and impact of heavy metals in natural environments. The effectiveness of these calculations heavily depends on the completeness and quality of the thermodynamic databases on which the calculations are based. Unfortunately, the thermodynamic data for many metal complexes, especially those with radionuclides, are currently either unknown or poorly constrained. Therefore, there is a need for (1) developing a method to predict the unknown thermodynamic data based on a limited number of the existing measurements and (2) using this method to check the internal consistency of the thermodynamic databases that are used in the calculations. Such a method is discussed in this paper