Article,
Prediction of brine process chemistry from theoretical models
Fluid Phase Equilibria, (1986)Proceedings of the Fourth International Conference.
DOI: 10.1016/0378-3812(86)80057-7
Abstract
A mineral solubility model of the eight component system, Na-K-Ca-Mg-H-Cl-SO4-OH-HCO3-H2O-CO2(g) to high concentration will be presented. It is based on the semi-empirical equations of Pitzer and coworkers for the thermodynamics of aqueous electrolyte solutions. The model is parameterized using vapor pressure, electromotive force, and solubility data for the binary and ternary subsystems. The predictive abilities of the model are demonstrated by comparison with experimental phase equilibria in systems more complex than those used in the parameterization. The model predictions are within experimental accuracy even at high concentration for highly complex systems. The model can be used to predict equilibrium process chemistry with an accuracy similar to phase diagram methods. Because of increased dimensionality the model approach is considerably more flexible than such methods. The generalization of the model to systems with complex chemistry (e.g., Boron and Al) and to high temperature will be discussed.
