Reactive transport modeling of thermal column experiments to investigate the impacts of aquifer thermal energy storage on groundwater quality.

Aquifer thermal energy storage (ATES) systems are increasingly being used to acclimatize buildings and are often constructed in aquifers used for drinking water supply. This raises the question of potential groundwater quality impact. Here, we use laboratory column experiments to develop and calibrate a reactive transport model (PHREEQC) simulating the thermally induced (5-60 °C) water quality changes in anoxic sandy sediments. Temperature-dependent surface complexation, cation-exchange, and kinetic dissolution of K-feldspar were included in the model. Optimization results combined with an extensive literature survey showed surface complexation of (oxy)anions (As, B, and PO4) is consistently exothermic, whereas surface complexation of cations (Ca and Mg) and cationic heavy metals (Cd, Pb, and Zn) is endothermic. The calibrated model was applied to simulate arsenic mobility in an ATES system using a simple yet powerful mirrored axi-symmetrical grid. Results showed that ATES mobilizes arsenic toward the fringe of the warm water bubble and the center of the cold water bubble. This transient redistribution of arsenic causes its aqueous concentrations in the cold and warm groundwater bubbles to become similar through multiple heating cycles, with a final concentration depending on the average injection temperature of the warm and cold ATES wells.