Simulation of CO2 dissolution reactions in saline aquifers using lattice Boltzmann method

Abstract

CO2 dissolution reactions in saline aquifers during geologic carbon sequestration (GCS) involve multiple physicochemical processes and pose a challenge for both experimental and numerical techniques to capture reactive transport features and complex porous structures. Benefited from advanced models in the lattice Boltzmann (LB) community, namely, multiphase flow LB model and multicomponent transport LB model with chemical reactions, dynamics of CO2-water interfaces, concentration evolution of ions, and heterogeneous and homogeneous reactions could be readily captured by the proposed LB model to characterize CO2 dissolution reactions applicable to far-field applications. This LB model can not only emphasize CO2 dissolution processes at the scale of a few pores but also elaborate on the corresponding controlling mechanisms in porous media during GCS in saline aquifers. LB simulations herein indicate that both diffusion coefficient and reactive interfacial length may change the total concentration gradient at the CO2-water interface to further affect CO2 dissolution reactions. It is also confirmed that CO2 dissolution is a non-equilibrium process, which could not be neglected in reservoir-scale simulations. The effect of reactive interfacial length on CO2 dissolution is negligible due to a narrower range of contact angles in saline aquifers. Influenced by the structural complexity of porous media, the dissolution of CO2 clusters shows a strong heterogeneous characteristic evaluated by the pore size distribution. The evolution of pH in homogeneous reactions is estimated via mass action equations. Besides, the effects of partial pressure, formation temperature, and salinity, as three key factors in the practical application, are thoroughly probed. The high pressure is conducive for sequestration because of its greater sequestration efficiency, but the temperature has both positive and negative impacts on CO2 dissolution trapping and should be carefully evaluated in a certain saline aquifer before the operation. High ion strength would decrease the efficiency of dissolution trapping to some extent.