Model-based construction of calcium sulfate phase-transition diagrams in the HCl-CaCl2-H2O system between 0 and 100 °C

Phase-transition diagrams of three CaSO4 phases, namely, dihydrate, hemihydrate, and anhydrate, in the HCl-CaCl2- H2O system are successfully constructed making use of a recently developed OLI-based chemical model. After initial validation of the model by comparison to experimentally determined CaSO4 phase-transition points in H2O or pure HCl solutions, the phase-transition border between dihydrate and anhydrite and that between dihydrate and hemihydrate was obtained by calculating the solution supersaturation ( or scaling tendency according to OLI). The constructed phase-transition diagrams show three main regions, namely, regions I, II, and III. In region I, dihydrate is stable, while anhydrite is stable in regions II and III. Dihydrate is metastable in region II, while hemihydrate is metastable in region III. An increase in HCl and/or CaCl2 concentration causes the metastable region of HH to expand at the expense of DH. This has the result of lowering the corresponding transition temperatures.