Canonical Form and Mathematical Interpretation of Electrolyte Solution Systems

摘要

We describe a canonical form of electrolyte solution systems for the mathematical interpretation of solid-liquid equilibrium. The canonical form is obtained from the analysis of the algebraic structure of electrolyte solution systems and the Karush-Kuhn-Tucker (KKT) conditions for the minimization of the total Gibbs free energy. As a result, the mathematical role of solid species in the solid-liquid equilibrium problem is explained as a Lagrange multiplier of a sort of the linearly constrained optimization problem. This finding will add to the development of an efficient numerical algorithm for the simulation of electrolyte solution systems.