Abstract In order to evaluate chemical impacts of SO2 impurity on reservoir rock during CO2 capture and storage in deep saline aquifers, several batch reactor experiments were performed on laboratory scale using core rock samples from the pilot CO2 injection site in Heletz. In this experiment, the samples were exposed to pure N2(g), pure CO2(g), and CO2(g) with an impurity of 1.5% SO2(g) under reservoir conditions for pressure and temperature (14.5 MPa, 60 °C). Based on the set-up and the obtained experimental results, a batch chemical model was established using the numerical simulation program TOUGHREACT V3.0-OMP. Comparing laboratory and simulation data provides a better understanding of the rock-brine-gas interactions. In addition, it offers an evaluation of the capability of the model to predict chemical interactions in the target injection reservoir during exposure to pure and impure CO2. The best match between the geochemical model and experimental data was achieved when the reactive surface area of minerals in the model was adjusted in order to calibrate the kinetic rates of minerals. The simulations indicated that SO2(g) tends to dissolve rather quickly and oxidizes under a kinetic control. Hence, it has a stronger effect on the acidity of the brine than pure CO2(g) and as a result, increased mineral dissolution and caused the precipitation of sulfate and sulfide minerals. Ankerite, dolomite, and siderite, the most abundant carbonates in the sandstone rock sample, are subject to stronger dissolution in the presence of SO2 gas. The performed simulations confirmed a slower dissolution rate for ankerite and siderite than for dolomite. The model reproduced the precipitation of pyrite and anhydrite as observed in the laboratory. The dissolution of dolomite observed in the batch reaction test with pure N2 is assumed to be due to slight contamination with oxygen and modelling supported this. The inclusion of SO2 increased the porosity over that of the pure CO2 case, and is thus considered to increase the permeability and injectivity of the reservoir as well. Exposure to SO2 also increased the concentration of trace elements. The calibrated kinetic parameters determined in this study will be used to model the injection and long-term behavior of CO2 at the Heletz field site, and may be used for similar geologic reservoirs.