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Advancing the modeling of evaporation and salt precipitation is essential in CO2 storage processes in aquifers. OpenFOAM provides a platform for computational fluid dynamics (CFD) modeling with its open-source C++ object-oriented architecture that can especially be used in the development of fluid flow models in porous media. Some OpenFOAM packages have been developed in this area, and their codes are available for use. Despite this, the existing OpenFOAM literature does not include a model that incorporates multicomponent interactions in multi-phase flow systems, referred to as compositional modeling, at the Darcy scale. This existing gap is addressed in this paper, where a new simple model in OpenFOAM is introduced that aims to model the interaction of CO2 and H2O components in CO2 storage processes in aquifers at the Darcy scale. The model, named compositionalIGFoam, incorporates a compositional solver by extending the impesFoam solver of the porousMultiphaseFoam package, while assuming some simplifications, to account for CO2/water mutual dissolution, relevant to carbon capture and storage (CCS) processes in aquifers. The functionality of the compositionalIGFoam solver was assessed by showcasing its ability to reproduce the outcomes of existing examples. In addition to that, the process of gas injection into a water-saturated core sample was simulated using the developed model to mimic CO2 injection into aquifers. The CMG-GEM commercial compositional simulator was used to compare its results with the coreflood model of this study. Phenomenal agreement was achieved with the GEM model, showing only 1.8% and 0.4% error for both components. This confirms the accuracy and reliability of the developed model. In conclusion, this study enhances the state of the art in porous media modeling using OpenFOAM 10, providing a valuable tool for examining fluid interactions in subsurface environments, especially within the context of CCS processes.

The long-term stability of CO2 storage represents a pivotal challenge in geological CO2 storage (CGS), particularly within deep saline aquifers characterized by complex fault-block systems. While the injection sites and rate under different fault structures will directly affect the CO2 storage effect and the risk of leakage. This study investigates the Gaoyou Sag in the Subei Basin, a representative fault-block reservoir, through an integrated numerical-experimental approach. A three-dimensional simulation model incorporating multiphase flow dynamics was developed to characterize subsurface CO2 transport and dissolution processes. A novel fault seal capacity evaluation framework was proposed, integrating three critical geological indices (fault throw/reservoir thickness/caprock thicknesses) with the coupling of formation physical properties, temperature, and pressure for the rational selection of injection sites and rates. The results show that Optimal storage performance is observed when the fault throw is lower than the reservoir and caprock thicknesses. Furthermore, higher temperature and pressure promote the dissolution and diffusion of CO2, while compared to the structural form of faults, the physical properties of faults have a more significant effect on CO2 leakage. The larger reservoir space and the presence of an interlayer reduce the risk of CO2 leakage, and augmenting storage potential. Decreasing the injection rate increases the proportion of dissolved CO2, thereby enhancing the safety of CO2 storage.

During CO2 storage, CO2 plume mixes with the water and oil present at the reservoir, initiated by diffusion followed by a density gradient that leads to a convective flow. Studies are available where CO2 convective mixing have been studied in water phase but limited in oil phase. This study was conducted to reach this gap, and experiments were conducted in a vertically packed 3-dimensional column with oil-saturated unconsolidated porous media at 100 bar and 50 °C (representative of reservoir pressure and temperature conditions). N-Decane and crude oil were used as oils, and glass beads as porous media. A bromothymol blue water solution-filled sapphire cell connected at the bottom of the column was used to monitor the CO2 breakthrough. With the increase of the Rayleigh number, the CO2 transport rate in n-decane was found to increase as a function of a second order polynomial. Ra number vs. dimensionless time τ had a power relationship in the form of Ra = c×τ−n. The overall pressure decay was faster in n-decane compared to crude oil for similar permeability (4 D), and the crude oil had a breakthrough time three times slower than in n-decane. The results were compared with similar experiments that have been carried out using water.

Air-independent propulsion systems have improved the performance and decreased the vulnerability of underwater weapon systems. Reforming systems, however, generates large amounts of water and CO2. The recovery or separation of CO2, a residual gas component generated in vessels, entails considerable cost and energy consumption. It is necessary to understand the characteristics of the interaction between CO2 and seawater under the conditions experienced by underwater weapon systems to design and optimize a CO2 treatment process for dissolving CO2 in seawater. In this study, numerical analysis was conducted using the derived experimental concentration and MATLAB. The diffusion coefficient was derived as a function of temperature according to the CO2 dissolution time. Experiments on CO2 dissolution in seawater were conducted. The concentration of CO2 according to the reaction pressure and experimental temperature was obtained. The diffusion coefficient between CO2 and seawater was found to be 6.3 × 10−5 cm2/s at 25 °C and 7.24 × 10−5 cm2/s at 32 °C. CO2 concentration could be estimated accurately under vessel operating conditions using the derived CO2 diffusion coefficients. Optimal design of the residual gas treatment process will be possible using the derived seawater–CO2 diffusion coefficients under the actual operating conditions experienced by underwater weapon systems.

Dissolved CO2 in karst water is the key driving force of karstification. Replenishment of CO2 concentrations in karst water occurs by meteoric water that percolates through the vadose zone, where CO2 produced from microbial activity is dissolved. CO2 can thus be transported with the percolating water or in the gas phase due to ventilation in karst systems. We measured seasonally fluctuating CO2 concentrations in the air of a karst cave and their influence on aqueous CO2 concentrations in different depths of a stagnant water column. The observed data were compared to numerical simulations. The data give evidence that density-driven enhanced dissolution of gaseous CO2 at the karst water table is the driving force for a fast increase of aqueous CO2 during periods of high gaseous concentrations in the cave, whereas during periods of lower gaseous concentrations, the decline of aqueous CO2 is limited to shallow water depths in the order of 1 m. This is significant because density-driven CO2 dissolution has not been previously considered relevant for karst hydrology in the literature. Attempts at reproducing the measured aqueous CO2 concentrations with numerical modeling revealed challenges related to computational demands, discretization, and the high sensitivity of the processes to tiny density gradients.

Natural convection induced by carbon dioxide (CO2) dissolution from a gas cap into the resident formation brine of a deep saline aquifer in the presence of a capillary transition zone is an important phenomenon that can accelerate the dissolution process, reducing the risk of CO2 leakage to the shallower formations. Majority of past investigations on the instability of the diffusive boundary layer assumed a sharp CO2–brine interface with constant CO2 concentration at the top of the aquifer, i.e., single-phase system. However, this assumption may lead to erroneous estimates of the onset of natural convection. The present study demonstrates the significant effect of the capillary transition zone on the onset of natural convection in a two-phase system in which a buoyant CO2 plume overlaid a water-saturated porous layer. Using the quasi-steady-state approximation (QSSA), we performed a linear stability analysis to assess critical times, critical wavenumbers, and neutral stability curves as a function of Bond number. We show that the capillary transition zone could potentially accelerate the evolution of the natural convection by sixfold. Furthermore, we characterized the instability problem for capillary-dominant, in-transition, and buoyancy-dominant systems. In the capillary-dominant systems, capillary transition zone has a strong role in destabilizing the diffusive boundary layer. In contrast, in the buoyancy-dominant systems, the buoyancy force is the sole cause of the instability, and the effect of the capillary transition zone can be ignored. Our findings provide further insight into the understanding of the natural convection in the two-phase CO2–brine system and the long-term fate of the injected CO2 in deep saline aquifers.

Numerical simulation is a commonly employed technique for studying carbon dioxide (CO2) storage processes in porous media, particularly saline aquifers. It enables the representation of diverse trapping mechanisms and the assessment of CO2 retention capacity within the subsurface. The intricate physicochemical phenomena involved necessitate the incorporation of multiphase flow, accurate depiction of fluid and rock properties, and their interactions. Among these factors, geochemical reaction rates and mechanisms are pivotal for successful CO2 trapping in carbonate reactive rocks. However, research on kinetic parameters and the influence of lithology on CO2 storage remains limited. This limitation is partly due to the challenges faced in laboratory experiments, where the time scale of the reactions and the lack of in situ conditions hinder accurate measurement of mineral reaction rates. This study employs proxy models constructed using response surfaces calibrated with simulation results to address uncertainties associated with geochemical reactions. Monte Carlo simulation is utilized to explore a broader range of parameters and identify influential factors affecting CO2 mineralization. The findings indicate that an open database containing kinetic parameters can support uncertainty assessment. Additionally, the proxy models effectively represent objective functions related to CO2 injectivity and mineralization, with calcite dissolution playing a predominant role. pH, calcite concentration, and CO2 injection rate significantly impact dolomite precipitation, while quartz content remains unaffected.

The CO2-brine dissolution homogenizes the distribution of residual CO2 and reduces the leakage risk in the saline aquifer. As a key parameter to immobilize the free CO2, the dissolution rate of CO2-brine could be accelerated through mechanisms like diffusion and dispersion, which are affected by the subsurface condition, pore structure, and background hydrological flow. This study contributed the calculated dissolution rates of both gaseous and supercritical CO2 during brine imbibition at a pore-scale. The flow development and distribution in porous media during dynamic dissolution were imaged in two-dimensional visualization using X-ray microtomography. The fingerings branching and expansion resulted in greater dissolution rates of supercritical CO2 with high contact between phases, while the brine bypassed the clusters of gaseous CO2 with a slower dissolution and longer duration due to the isolated bubbles. The dissolution rate of supercritical CO2 was about two or three orders of magnitude greater than that of gaseous CO2, while the value distributions both spanned about four orders of magnitude. The dissolution rates of gaseous CO2 increased with porosity, but the relationship was the opposite for supercritical CO2. CO2 saturation and the Reynolds number were analyzed to characterize the different impacts on gaseous and supercritical CO2 at different dissolution periods.

Blends of poly(methyl methacrylate) (PMMA) and a triblock copolymer poly(methyl methacrylate)-b-poly(butyl acrylate)-b-poly(methyl methacrylate) (MAM) have been obtained following both out-of-equilibrium (extrusion) and near-equilibrium (solvent casting) production routes. The self-assembly capability and the achievable nanostructures of these blends are analyzed by transmission electron microscopy (TEM) regarding their production route and potential for the achievement of nanocellular foams by CO2 gas dissolution foaming. The influence of the initial nanostructure of the solids on the obtained cellular structure of bulk and film samples is determined by high-resolution scanning electron microscopy (HRSEM) for diverse foaming conditions (saturation pressure, saturation temperature, and post-foaming stage), taking into account the required use of a foaming mold to achieve foams from films. Moreover, the influence of the nanostructuration on the presence of solid outer layers, typical of the selected foaming process, is addressed. Finally, consideration of a qualitative model and the obtained results in terms of nanostructuration, cellular structure, and foaming behavior, allow proposing a detailed cell nucleation, growth, and stabilization scheme for these materials, providing the first direct evidence of the cell nucleation happening inside the poly(butyl acrylate) phase in the PMMA/MAM blends.