Calculation of all equilibrium concentrations in a system of competing complexation.
An iterative method and a computer program are presented for calculating equilibrium concentrations of all species in a multicomponent system of many competing complexation reactions. The initial data required are: pH, total concentration of each reactant, stability constant of each complex, and pKa values. Convergence of the iterations is proved. As an example a system of 7 reactants and 27 complexes is given. A second example for the use of this program, including so-called "ligand buffering", is also shown.
Ginzburg
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Chemistry Department, Ben Gurion University of the Negev, Beer-Sheva, Israel.