Possibility of estimating acid-base properties of minerals and rocks by means of physicochemical simulations (with the Selector-C program package)

The basicity-acidity of minerals and rocks is estimated by the Gibbs free energy minimization technique with the use of modern thermodynamic data (Selector-C program package). A provisional scale of acid-base properties of minerals and rocks is constructed based on the properties of pure water in equilibrium with them. The composition of solution under standard conditions and base-acid parameters (pH25) are calculated for reactions of pure water with various rock-forming minerals that dissolve congruently or incongruently. A method is suggested for evaluating the base-acid parameters of rocks on the basis of solving the inverse problems of convex programming of the composition and properties of solution (supercritical fluid) in equilibrium with a real mineral association.