On Algorithm for the Calculation of the Equilibrium Composition of Water-Salt Systems on the Basis of the Pitzer Model

摘要

Calculating the equilibrium composition of systems under given conditions (usually, temperature and pressure) is a core in the majority of the existing computer models of geochemical processes. Recently, Shvarov [1] investigated the thermodynamic consistency of the models of nonideal aqueous solutions that are used in geochemical calculations. He distinguished necessary and sufficient conditions for the thermodynamic consistency of the physicochemical models of real (nonideal) solutions and presented particular examples of errors appearing when these criteria are not met.