A review of interaction mechanisms and microscopic simulation methods for CO2-water-rock system

This work systematically reviews the complex mechanisms of CO2-water-rock interactions, microscopic simulations of reactive transport (dissolution, precipitation and precipitate migration) in porous media, and microscopic simulations of CO2-water-rock system. The work points out the key issues in current research and provides suggestions for future research. After injection of CO2 into underground reservoirs, not only conventional pressure-driven flow and mass transfer processes occur, but also special physicochemical phenomena like dissolution, precipitation, and precipitate migration. The coupling of these processes causes complex changes in permeability and porosity parameters of the porous media. Pore-scale microscopic flow simulations can provide detailed information within the three-dimensional pore and throat space and explicitly observe changes in the fluid-solid interfaces of porous media during reactions. At present, the research has limitations in the decoupling of complex mechanisms, characterization of differential multi-mineral reactions, precipitation generation mechanisms and characterization (crystal nucleation and mineral detachment), simulation methods for precipitation-fluid interaction, and coupling mechanisms of multiple physicochemical processes. In future studies, it is essential to innovate experimental methods to decouple "dissolution-precipitation-precipitate migration" processes, improve the accuracy of experimental testing of minerals geochemical reaction-related parameters, build reliable characterization of various precipitation types, establish precipitation-fluid interaction simulation methods, coordinate the boundary conditions of different physicochemical processes, and, finally, achieve coupled flow simulation of "dissolution-precipitation-precipitate migration" within CO2-water-rock systems.