Modelling of phase transformations and equilibria of calcium sulfate hydrates in concentrated aqueous chloride solutions using the OLI software

The solubilities of calcium sulfate in HCl-CaC1z-H20 solutions up to 100°C were successfully modelled with the aid of OLI software after bringing proper modification to it. Modelling, more specifically, was carried out with the help of the Environmental Simulation Program, V-6.6.0.4 (www.olisystems.com). New model parameters were obtained by regressing the solubility data. A private databank was established by adding the newly defined model parameters and the calcium sulfate hemihydrate phase that is not included in the original OLI database. The McGill-modified OLI software was successfully applied not only to modelling solubilities but also the transformation of the various CaS04 phases, namely dihydrate, hemihydrate and anhydrite. In this paper, the modelling methodology will be discussed along with a comparison of the capabilities of the newly developed model vs the original OLI model.