A fast and robust TOUGH2 module to simulate geological CO2 storage in saline aquifers

A new TOUGH2 module to simulate geological CO2 storage (GCS) in saline aquifers is developed based on the widely employed ECO2N module of TOUGH2. The newly developed TOUGH2 module uses a new non-iterative fugacity-activity thermodynamic model to obtain the partitioning of CO2 and H2O between the aqueous and gas phases. Simple but robust thermophysical correlations are used to obtain density, viscosity, and enthalpy of the gas phase. The implementation and accuracy of the employed thermophysical correlations are verified by comparisons against the national institute of standards and technology (NIST) online thermophysical database. To assess the computation accuracy and efficiency, simulation results obtained with the new TOUGH2 module for a one-dimensional non-isothermal radial and a three-dimensional isothermal system are compared against the simulation results obtained with the ECO2N module. Treating salt mass fraction in the aqueous phase as a constant, along with the inclusion of a non-iterative fugacity-activity thermodynamic model, and simple thermophysical correlations, resulted in simulations much faster than simulations with ECO2N module, without losing numerical accuracy. Both modules yield virtually identical results. Additional field-scale simulations of CO2 injection into an actual non-isothermal and heterogeneous geological formation confirmed that the new module is much faster than the ECO2N module in simulating complex field-scale conditions. Owing to its capability to handle CO2-CH4-H2S-N2 gas mixtures and its compatibility with TOUGHREACT, this new TOUGH2 module offers the possibility of developing a fast and robust TOUGHREACT module to predict the fate of CO2 in GCS sites under biotic conditions where CO2, CH4, H2S, and N2 gases can be formed.