Chemical Modeling in Pressure Hydrometallurgy Using OLI

"OLI Analyzer is a software package that uses the powerful Mixed Solvent Electrolyte (MSE) model to simulate the behavior of multicomponent electrolyte solutions from infinite dilution to the limit of fused salt, and from temperatures below the freezing point up to near critical temperature of the mixture. The software also allows the creation of thermodynamic parameters for new chemical systems unavailable yet in public-domain or commercial software databanks. This communication reviews the basics of the model and provides some examples of modeling hydrometallurgical applications with emphasis on high temperature applications, including calcium sulfate scale formation in autoclaves, high temperature pH inference and iron control. INTRODUCTIONModeling of electrolyte systems has been of particular interest to various industrial processes, such as separation processes (e.g., solution crystallization, extractive distillation, seawater desalination or bio-separations), environmental applications (e.g., gas treatment, wastewater treatment or chemical waste disposal) and hydrometallurgy (e.g., pH control and neutralization, iron control, scaling and fouling of equipment). Using a chemical model, time-effective predictions of various properties of electrolytes can be obtained, which is beneficial not only during process monitoring, but also during process optimization and process scale up. As a result, pilot scale studies can sometimes be eliminated where budgetary constraints exist. Development of such a powerful model requires the use of a speciation-based model, in which solution chemistry is explicitly addressed (as compared with some models that treat electrolytes either as undissociated or fully dissociated systems), despite being computationally challenging. In addition, as a feature of electrolyte systems, speciation equilibria inherently influence the phase equilibria due to complex formation, ion pairing, and acid-base reactions. Therefore, how the electrolyte solutions behave at various conditions may differ significantly due to the non-ideality, which must be carefully addressed to obtain a model that is applicable to a wide range of conditions such as concentration, temperature, pressure and solvent system."