Model and Algorithm for Calculating the Formation of Phases in Aqueous Solutions of Metal Salts

An equilibrium model and an algorithm for processing experimental potentiometric titration data are developed that improve the reliability of results on phase formation in aqueous solutions of metal salts. In creating the model, it is proposed that the formation of polynuclear, heteroligand compounds and fluctuations of the system parameters be considered, and that the laws of molecular solubility, solubility over an intermediate, and identifying the main sediment be used. To derive the material balance equations of the studied systems, software is developed that allows calculations of the number of particles in the system, the values of equilibrium constants, and the composition of compounds, in addition to automatic selection of the functions that describe random processes when estimating the uncertainty of equilibrium constant values.