The report makes final predictions of the chemical changes in the engineered barrier system (EBS) materials and pore water compositions in the Prototype Repository. Considering the geochemical performance of a repository, the central issues are what kind of pore water compositions a repository is expected to generate and how these pore water compositions develop as a function of time. The first wetted volumes of buffer and backfill are created at the boundaries of the Prototype EBS.
These first pore waters are sucked deeper into the under-saturated volumes of buffer and backfill and represent the first wetting pore water compositions of the EBS. At the same time, new pore water compositions are repeatedly generated at the EBS boundary. These waters, as well, are likely sucked deeper into EBS until the suction power vanishes to the EBS water saturation. Therefore, the pore water evolution at the EBS boundary and the first wetting pore water evolution in the EBS interior essentially define the limits of compositional pore water gradients that will develop in a repository EBS.
The predictive tool built on the PHREEQC-2 modelling software will be calibrated with the laboratory studies available in the literature. The experimental data from the Prototype Repository vessel samplings, if available, will be compared with the modelling and/or the modelling tool will be calibrated to this data as well.
The modelling aim to predict pH and pe conditions and Na, Ca, K, Mg, Fe, Si, SO4 and alkalinity concentrations in developed pore waters. In the case of solid phases, the modellings take into account surface complexity and cation exchange in buffer and backfill, and make estimates of mole-transfers at these surface sites. Furthermore, modelling consider calcite, gypsum, pyrite, goethite and quartz as reactive phases that equilibrate with pore waters, and predict concentrations and mole-transfers of these phases as well.