H₂-CO₂ mixtures find wide-ranging applications, including their growing significance as synthetic fuels in the transportation industry, relevance in capture technologies for carbon capture and storage, occurrence in subsurface storage of hydrogen, and hydrogenation of carbon dioxide to form hydrocarbons and alcohols. Here, we focus on the thermodynamic properties of H₂-CO₂ mixtures pertinent to underground hydrogen storage in depleted gas reservoirs. Molecular dynamics simulations are used to compute mutual (Fick) diffusivities for a wide range of pressures (5 to 50 MPa), temperatures (323.15 to 423.15 K), and mixture compositions (hydrogen mole fraction from 0 to 1). At 5 MPa, the computed mutual diffusivities agree within 5% with the kinetic theory of Chapman and Enskog at 423.15 K, albeit exhibiting deviations of up to 25% between 323.15 and 373.15 K. Even at 50 MPa, kinetic theory predictions match computed diffusivities within 15% for mixtures comprising over 80% H₂ due to the ideal-gas-like behavior. In mixtures with higher concentrations of CO₂, the Moggridge correlation emerges as a dependable substitute for the kinetic theory. Specifically, when the CO₂ content reaches 50%, the Moggridge correlation achieves predictions within 10% of the computed Fick diffusivities. Phase equilibria of ternary mixtures involving CO₂-H₂-NaCl were explored using Gibbs Ensemble (GE) simulations with the Continuous Fractional Component Monte Carlo (CFCMC) technique. The computed solubilities of CO₂ and H₂ in NaCl brine increased with the fugacity of the respective component but decreased with NaCl concentration (salting out effect). While the solubility of CO₂ in NaCl brine decreased in the ternary system compared to the binary CO₂-NaCl brine system, the solubility of H₂ in NaCl brine increased less in the ternary system compared to the binary H₂-NaCl brine system. The cooperative effect of H₂-CO₂ enhances the H₂ solubility while suppressing the CO₂ solubility. The water content in the gas phase was found to be intermediate between H₂-NaCl brine and CO₂-NaCl brine systems. Our findings have implications for hydrogen storage and chemical technologies dealing with CO₂-H₂ mixtures, particularly where experimental data are lacking, emphasizing the need for reliable thermodynamic data on H₂-CO₂ mixtures.

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The storage of renewable hydrogen in salt caverns requires fast injection and production rates to cope with the imbalance between energy production and consumption. This raises concerns about the mechanical stability of salt caverns under such operational conditions. The use of appropriate constitutive models for salt mechanics is an important step in investigating this issue, therefore many constitutive models with several parameters have been presented in the literature. However, a robust calibration strategy to reliably determine which model and parameter set represents the given rock, based on stress–strain data sets, remains an unsolved challenge. In this paper, for the first time in the community, we present a multi-step strategy to determine a single parameter set based on many deformation data sets for salt rocks. Towards this end, we first develop a comprehensive constitutive model able to capture all relevant nonlinear deformation physics of transient, reverse, and steady-state creep. The determination of the single set of representative material parameters is then achieved by framing the calibration process as an optimization problem, for which the global Particle Swarm Optimization algorithm is employed. To allow for dynamic data integration, a multi-step calibration strategy is developed for a situation where experiments are included one at a time, as they become available. Additionally, due to the existing mild heterogeneity in the experimental rock samples, our optimization strategy is made flexible to allow for this slight heterogeneity. The devised optimization strategy, based on the multi-physics comprehensive constitutive modeling framework, results in a single set of representative material properties of all the deformation data sets. As a rigorous mathematical analysis for the presented method and the lack of relevant experimental data sets, we consider a wide range of synthetic experimental data sets, inspired by the existing sparse relevant data in the literature. The results of our performance analyses show that the proposed calibration strategy is robust. Moreover, the results become increasingly more accurate as more data sets become available.

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Characterization of the microbial activity impacts on transport and storage of hydrogen is a crucial aspect of successful Underground Hydrogen Storage (UHS). Microbes can use hydrogen for their metabolism, which can then lead to formation of biofilms. Biofilms can potentially alter the wettability of the system and, consequently, impact the flow dynamics and trapping mechanisms in the reservoir. In this study, we investigate the impact of microbial activity on wettability of the hydrogen/brine/rock system, using the captive-bubble cell experimental approach. Apparent contact angles are measured for bubbles of pure hydrogen in contact with a solid surface inside a cell filled with living brine which contains sulphate reducing microbes. To investigate the impact of surface roughness, two different solid samples are used: a "rough" Bentheimer Sandstone sample and a "smooth" pure Quartz sample. It is found that, in systems where buoyancy and interfacial forces are the main acting forces, the impact of biofilm formation on the apparent contact angle highly depends on the surface roughness. For the "rough" Bentheimer sandstone, the apparent contact angle was unchanged by biofilm formation, while for the smooth pure Quartz sample the apparent contact angle decreased significantly, making the system more water-wet. This decrease in apparent contact angle is in contrast with an earlier study present in the literature where a significant increase in contact angle due to microbial activity was reported. The wettability of the biofilm is mainly determined by the consistency of the Extracellular Polymeric Substances (EPS) which depends on the growth conditions in the system. Therefore, to determine the impact of microbial activity on the wettability during UHS will require accurate replication of the reservoir conditions including surface roughness, chemical composition of the brine, the microbial community, as well as temperature, pressure and pH-value conditions.

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Hydrogen, regarded as a clean energy carrier, holds potential for subsurface porous media storage to balance energy supply and demand. Investigating the interactions between hydrogen and porous media, especially the potential residual trapping during cyclic injection and production, becomes imperative. Experimental studies were conducted to examine the influence of flow rate and cyclic injection/production on hydrogen storage and recovery efficiency. Findings reveal generally low hydrogen saturation in brine-saturated porous media during storage process, due to notable flow instability. However, higher injection rates contribute to increased hydrogen saturation. Moreover, observations indicate that cyclic hydrogen storage and drainage may lead to hysteresis in hydrogen storage process. That is, cyclic hydrogen storage and drainage may result in undesired residual trapping of hydrogen in porous media. This study underscores the need for a comprehensive investigation to validate these observations, shedding light on the complexities of hydrogen storage dynamics in subsurface porous media.@en

Pore pressure fluctuation in subsurface reservoirs and its resulting mechanical response can cause fault reactivation. Numerical simulation of such induced seismicity is important to develop reliable seismic hazard and risk assessments. However, modeling of fault reactivation is quite challenging, especially in the case of displaced faults, i.e., faults with non-zero offset. In this paper, we perform a systematic benchmarking study to validate two recently developed numerical methods for fault slip simulation. Reference solutions are based on a semi-analytical approach that makes use of inclusion theory and Cauchy-type singular integral equations. The two numerical methods both use finite volume discretizations, but they employ different approaches to represent faults. One of them uses a conformal discrete fault model (DFM) while the other employs an embedded (non-conformal) fault model. The semi-analytical test cases cover a vertical frictionless fault, and inclined displaced faults with constant friction and slip-weakening friction. It was found that both numerical methods accurately represent pre-slip stress fields caused by pore pressure changes. Moreover, they also successfully cope with a vertical frictionless fault. However, for the case with an inclined displaced fault with a constant friction coefficient, the embedded method can not converge for the post-slip phase, whereas the DFM successfully coped with both constant and slip-weakening friction coefficients. In its current implementation, the DFM is therefore the model of choice when accurate simulation of local faulted systems is required.@en

CO₂ capture and storage is a viable solution in the effort to mitigate global climate change. Deep saline aquifers, in particular, have emerged as promising storage options, owing to their vast capacity and widespread distribution. However, the task of proficiently monitoring and simulating CO₂ behavior within these formations poses significant challenges. To address this, we introduce the physics-constraint neural network for CO₂ storage (CO₂PCNet), a model specifically designed for simulating and monitoring CO₂ storage in deep saline aquifers during injection and post-injection periods. Recognizing the significant challenges in accurately modeling the distribution and movement of CO₂ under varying permeability conditions, the CO₂PCNet integrates the principles of physics with the robustness of deep learning, serving as a powerful surrogate model. The architecture of CO₂PCNet starts with an encoder that adeptly processes spatial features from overall mole fraction (z_CO2) and pressure fields (P_l), capturing the complex dynamics of a CO₂ trajectory. By incorporating permeability information through a conditioning step, the network ensures a faithful representation of the influences on CO₂ behavior in subsurface conditions. A ConvLSTM module subsequently discerns temporal evolutions, reflecting the real-world progression of CO₂ plumes within the reservoir. Lastly, the decoder precisely reconstructs the predictive spatial profile of CO₂ distribution. CO₂PCNet, with its integration of convolutional layers, recurrent mechanisms, and physics-informed constraints, offers a refined approach to CO₂ storage simulation. This model offers the potential of utilizing advanced computational methods in advancing CCS practices.

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To safely and efficiently utilize porous reservoirs for underground hydrogen storage (UHS), it is essential to characterize hydrogen transport properties at multiple scales. In this study, hydrogen/brine multiphase flow at 50 bar and 25 °C in a 17 cm Berea sandstone rock core was characterized and visualized at the pore and core scales using micro X-ray CT. The experiment included a single drainage and imbibition cycle during which relative permeability hysteresis was measured, and two no-flow periods to study the redistribution of hydrogen in the pore space during storage periods. An end-point relative permeability of 0.043 was found at Sw = 0.56, and the residual gas saturation was measured to be 0.32. Despite extensive pre-equilibration, significant dissolution of hydrogen into brine occurred near the core inlet due to elevated pressures and the corresponding increase in hydrogen solubility. During drainage, many disconnected hydrogen ganglia were observed further down the core which could be explained by the exsolution of the dissolved hydrogen. During imbibition, the dissolution of hydrogen led to the formation of preferential flow paths near the inlet, and eventually removed most of the trapped hydrogen in the final stage of the experiment. The two no-flow periods were characterized by the fragmentation of medium-sized hydrogen ganglia and the growth of a few larger ganglia, providing evidence for hydrogen re-connection through the dissolution-driven process of Ostwald ripening. These results demonstrate that despite the low solubility of hydrogen in brine, hydrogen dissolution can significantly influence the observed multiphase flow and trapping behavior in the reservoir and should be considered in UHS modeling.@en

Large-scale storage technologies are crucial to balance consumption and intermittent production of renewable energy systems. One of these technologies can be developed by converting the excess energy into compressed air or hydrogen, i.e., compressed gas, and storing it in underground solution-mined salt caverns. Salt caverns are proven seals towards compressed air and hydrogen. However, several challenges, including fast injection/production cycles and operation of systems of caverns, are yet to be resolved to allow for a safe scale-up of energy storage in salt caverns. To address these challenges, it is important to identify key parameters that impact both the safety and efficiency of the operations. For this purpose, the present study conducts sensitivity analyses to show the importance of different parameters on the time-dependent mechanical behavior of salt caverns, individually and in a multi-cavern system. The impact of different deformation mechanisms (e.g. transient and reverse creep), model calibration, cavern shape, presence of interlayers and multi-cavern interactions are investigated in this study. The constitutive model adopted in this work and the mathematical formulation are presented in detail. Additionally, an open-source three-dimensional simulator, named “SafeInCave”, is developed for the numerical solution of the non-linear governing equations. The findings provide insights into improving the reliability of numerical simulations for the safe and efficient operation of salt caverns in energy storage applications.

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Underground hydrogen (H₂) storage in saline aquifers is a viable solution for large-scale H₂ storage. Due to its remarkably low viscosity and density, the flow of H₂ within saline aquifers exhibits strong instability, which needs to be thoroughly investigated to ensure safe operations at the storage site. For the first time, we develop a lattice Boltzmann model tailored for pore-scale simulations of the H₂-brine system under typical subsurface storage conditions. The model captures the significant contrast of fluid properties between H₂ and brine, and it offers the flexibility to adjust the contact angle to suit varying wetting conditions. We show that the snap-off is enhanced in a system with a high capillary number and a small contact angle. These conditions lead to a low recovery factor, which is unfavorable for H₂ production from the aquifer. Moreover, the relative permeability curves, computed from the simulation results, exhibit distinct behaviors for H₂ and brine. In the case of the wetting phase, the relative permeability can be quantified using the quadratic expression, whereas for the non-wetting phase, the relative permeability exhibits a nearly linear behavior, and saturation alone appears insufficient to characterize the relative permeability at large saturations of non-wetting phase. This implies that different formula for liquid and gas phases may be employed for continuum-scale simulations.

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The modeling of fluid flow in heterogeneous, anisotropic and fractured porous media is relevant in many applications, including hydrocarbon and groundwater extraction, dispersion of contaminants, hydrogen or carbon dioxide (CO₂) storage. Thus, accurate and scalable simulation of fluid flow through these formations continues to be a great challenge. The presence of fractures that are explicitly modeled, ranging from flow barriers to highly conductive channels, significantly increases the complexity of the numerical simulation. The Embedded Discrete Fracture Model (EDFM) produces results that can be as accurate as those obtained using equidimensional Discrete Fracture Models (DFM) at a much lower computational cost for highly conductive fractures, but it is not adequate for impermeable barriers. In contrast, the pEDFM (projection-based Embedded Discrete Fracture Model) produces accurate results for both, channels and barriers by using additional matrix-fracture connectivities. In its current versions, it is restricted to cartesian and corner-point grid geometries and to the classical Two Point Flux Approximation (TPFA) scheme. In this work, for the first time, the pEDFM is extended to handle unstructured tetrahedral meshes (pEDFM-U). In addition, interface fluxes are approximated by using the Multipoint Flux Approximation method with a Diamond stencil (MPFA-D). This allows for simulation of highly heterogeneous and anisotropic geo-models. The developed method is robust and can deal with full permeability tensors on arbitrary tetrahedral meshes. The advective terms are discretized considering an implicit First Order Upwind (FOU) method. Our method is implemented within the DARSim (Delft Advanced Reservoir Simulation) open-source simulator framework. Through several test cases, the proposed method showed to be robust and capable to accurately capture the effects of both high and low permeability fractures for general tetrahedral meshes, under arbitrary heterogeneous and anisotropic permeability tensors for the rock matrix.

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Thermodynamic factors for diffusion connect the Fick and Maxwell-Stefan diffusion coefficients used to quantify mass transfer. Activity coefficient models or equations of state can be fitted to experimental or simulation data, from which thermodynamic factors can be obtained by differentiation. The accuracy of thermodynamic factors determined using indirect routes is dictated by the specific choice of an activity coefficient model or an equation of state. The Permuted Widom’s Test Particle Insertion (PWTPI) method developed by Balaji et al. enables direct determination of thermodynamic factors in binary and multicomponent systems. For highly dense systems, for example, typical liquids, it is well known that molecular test insertion methods fail. In this article, we use the Continuous Fractional Component Monte Carlo (CFCMC) method to directly calculate thermodynamic factors by adopting the PWTPI method. The CFCMC method uses fractional molecules whose interactions with their surrounding molecules are modulated by a coupling parameter. Even in highly dense systems, the CFCMC method efficiently handles molecule insertions and removals, overcoming the limitations of the PWTPI method. We show excellent agreement between the results of the PWTPI and CFCMC methods for the calculation of thermodynamic factors in binary systems of Lennard-Jones molecules and ternary systems of Weeks-Chandler-Andersen molecules. The CFCMC method applied to calculate the thermodynamic factors of realistic molecular systems consisting of binary mixtures of carbon dioxide and hydrogen agrees well with the NIST REFPROP database. Our study highlights the effectiveness of the CFCMC method in determining thermodynamic factors for diffusion, even in densely packed systems, using relatively small numbers of molecules.

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This poster outlines a hierarchical, multiscale modelling approach that is adapted from proven hydrocarbon reservoir characterization workflows to determine which 3D sedimentological and stratigraphic heterogeneity types at which temporal and spatial scales and in which configurations are most important for successful long-term CO2 storage. The approach is particularly in saline aquifers that are data-poor but have the potential to store large CO2 volumes. It uses the Representative Element Volume (REV) concept and associated upscaling methodology to characterise sedimentological heterogeneity types, and it leverages novel modelling tools that facilitate rapid model construction and prototyping, geometrically accurate representation of key geological heterogeneities in models, and computationally efficient simulation of all CO2 trapping mechanisms over relevant spatial and temporal scales.@en

Considering the storage capacity and already existing infrastructures, underground porous reservoirs are highly suitable to store green energy, for example, in the form of green gases such as hydrogen and compressed air. Depending on the energy demand and supply, the energy-rich fluids are injected and produced, which induces cyclic change of state-of-the-stress in the reservoir and its surrounding. Detailed analyses of the geo-mechanical deformations under variable storage conditions i.e., storage frequency and fluid fluctuating pressures, are crucially important for safe and efficient operations. The present work presents an integrated analysis, based on experimental and constitutive modeling aspects, to investigate sandstones’ geomechanical response to cyclic loading relevant to underground energy storage (UES). To this end, sandstone rock samples were subjected to cyclic loading above and below the onset of dilatant cracking under different frequencies and loading amplitudes. Axial strains and Acoustic Emissions (AE) were measured in both regimes to quantify the total deformation (strain) of the rock and its AE characteristics. It is found that the inelastic strain and number of AE events is the highest in the first cycle and reduce subsequently cycle after cycle. Moreover, cyclic inelastic deformations are affected by the mean stress, amplitude, and frequency of the stress waveform. On the one hand, the higher the mean stress and the amplitude, the higher the total inelastic strains. On the other hand, the lower the frequency, the higher the total inelastic strain. From the modeling perspectives, five types of deformation mechanisms were identified based on the governing physics: elastic, viscoelastic, compaction-based cyclic inelastic, inelastic brittle creep, and dilatation-based inelastic deformation. To model elastic, viscoelastic, and brittle creep, the Nishihara model was used. A cyclic modified cam clay model (MCC) and hardening–softening model were applied to capture plastic deformation. The results show a very good fit of the constitutive model with the experimental results, which could help in studying the response of reservoirs to injection and production.

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Successful deployment of geological carbon storage (GCS) requires an extensive use of reservoir simulators for screening, ranking and optimization of storage sites. However, the time scales of GCS are such that no sufficient long-term data is available yet to validate the simulators against. As a consequence, there is currently no solid basis for assessing the quality with which the dynamics of large-scale GCS operations can be forecasted. To meet this knowledge gap, we have conducted a major GCS validation benchmark study. To achieve reasonable time scales, a laboratory-size geological storage formation was constructed (the “FluidFlower”), forming the basis for both the experimental and computational work. A validation experiment consisting of repeated GCS operations was conducted in the FluidFlower, providing what we define as the true physical dynamics for this system. Nine different research groups from around the world provided forecasts, both individually and collaboratively, based on a detailed physical and petrophysical characterization of the FluidFlower sands. The major contribution of this paper is a report and discussion of the results of the validation benchmark study, complemented by a description of the benchmarking process and the participating computational models. The forecasts from the participating groups are compared to each other and to the experimental data by means of various indicative qualitative and quantitative measures. By this, we provide a detailed assessment of the capabilities of reservoir simulators and their users to capture both the injection and post-injection dynamics of the GCS operations.

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Quantification of the poromechanical response of subsurface formations due to human-induced pore pressure fluctuations is critical for the performance and stability assessment of many geo-energy systems. In particular, natural faults in the subsurface introduce the hazard of induced seismicity. Numerical modeling of fault reactivation is challenging, while the specific details of induced stresses and fault slip in reservoirs with displaced (i.e. non-zero offset) faults may cause additional challenges depending on the type of numerical formulation employed. To facilitate the systematic development and testing of numerical tools for the simulation of induced seismicity in faulted reservoirs we developed a set of semi-analytical test problems of increasing complexity, based on inclusion theory and Cauchy singular integral equations. With these we investigate the accuracy of two recently developed Finite Volume (FV) schemes with collocated and staggered arrangements of unknowns. One of them employs a conformal discrete fault model (DFM) which can guarantee sufficient accuracy at the cost of adaptive mesh refinement but may suffer from modelling and computational challenges when addressing large-scale realistic geological configurations. The second one employs an embedded (or non-conformal) discrete fault model (EDFM) which avoids the need for excessive mesh refinement, but of which the accuracy and the range of applicability are still to be investigated. We found that both numerical schemes accurately represent the pre-slip Coulomb stresses, but show different degrees of accuracy in representing the resulting depletion-induced fault slip. The semi-analytical benchmark data are available via DOI 10.4121/22240309.

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Gigatonne scale geological storage of carbon dioxide and energy (such as hydrogen) will be central aspects of a sustainable energy future, both for mitigating CO₂ emissions and providing seasonal-based green energy provisions. In this Review, we evaluate the feasibility and challenges of expanding subsurface carbon dioxide storage into a global-scale business, and explore how this experience can be exploited to accelerate the development of underground hydrogen storage. Carbon storage is technically and commercially successful at the megatonne scale, with current projects mitigating approximately 30 Mt of CO₂ per year. However, limiting anthropogenic warming to 1.5°C could require gigatonnes of storage per year by 2050, and a scaleup from 2025 approaching rates of deployment that would be historic for energy technology. Scale-up is not limited by geology or engineering. Advances in understanding storage complex geology, subsurface fluid dynamics, and seismic risk underpin new engineering strategies including the development of multi-site, basin scale, storage resource management. Instead economic and societal contraints pose barriers to project development. Underground hydrogen storage, still in development, will face similar issues. Overcoming these barriers with strengthened financial incentives, and programs to address concerns inhibiting public acceptance, will enable the storage of CO₂ at climate relevant scales.

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An efficient compositional framework is developed for simulation of CO ₂ storage in saline aquifers during a full-cycle injection, migration and post-migration processes. Essential trapping mechanisms, including structural, dissolution, and residual trapping, which operate at different time scales, are accurately captured in the presented unified framework. In particular, a parameterization method is proposed to efficiently describe the relevant physical processes. The proposed framework is validated by comparing the dynamics of gravity-induced convective transport with that reported in the literature. Results show good agreement for both the characteristics of descending fingers and the associated dissolution rate. The developed simulator is then applied to study the FluidFlower benchmark model. An experimental setup with heterogeneous geological layers is discretized into a two-dimensional computational domain where numerical simulation is performed. Impacts of hysteresis and the diffusion of CO ₂ in liquid phase on the migration and trapping of CO ₂ plume are investigated. Inclusion of the hysteresis effect does not affect plume migration in this benchmark model, whereas diffusion plays an important role in promoting convective mixing. This work casts a promising approach to predict the migration of the CO ₂ plume, and to assess the amount of trapping from different mechanisms for long-term CO ₂ storage.

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CO₂ sequestration and storage in deep saline aquifers is a promising technology for mitigating the excessive concentration of the greenhouse gas in the atmosphere. However, accurately predicting the migration of CO₂ plumes requires complex multi-physics-based numerical simulation approaches, which are prohibitively expensive due to highly nonlinear coupled governing equations and uncertainties in heterogeneous spatial parameter distributions. To address this challenge, we developed an end-to-end deep learning workflow employing encoder–decoder architectures with residual network (ResNet) to efficiently predicts the spatial–temporal evolution of the solution CO₂-brine ratio (R_s) and gas saturation (S_g) – the two essential tasks for quantifying the amount of trapped CO₂ – given heterogeneous permeability fields as input. Specifically, we introduce a general multi-task learning with consistency (MTLC) framework to simultaneously predict R_s and S_g. The MTLC model leverages related tasks with less computational expensive labeled datasets to improve generalization ability. In our study, predictions for multiple tasks from the same permeability realization are not independent but expected to be consistent, as the proposed framework utilizes data-driven cross-task consistency constraints to augment learning of related tasks. Our deep learning model is trained based on physical trapping mechanisms, which play a dominant role in the CO₂ migration process. The results demonstrate that the MTLC model with joint learning yields more accurate predictions and improved generalization for predicting CO₂ migration in several test cases. Furthermore, our workflow is 10⁵ times faster than a high-fidelity physics-based numerical simulator, making it a viable alternative for field-scale applications.

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Underground Hydrogen Storage (UHS) is an emerging large-scale energy storage technology. Researchers are investigating its feasibility and performance, including its injectivity, productivity, and storage capacity through numerical simulations. However, several ad-hoc relative permeability and capillary pressure functions have been used in the literature, with no direct link to the underlying physics of the hydrogen storage and production process. Recent relative permeability measurements for the hydrogen-brine system show very low hydrogen relative permeability and strong liquid phase hysteresis, very different to what has been observed for other fluid systems for the same rock type. This raises the concern as to what extend the existing studies in the literature are able to reliably quantify the feasibility of the potential storage projects. In this study, we investigate how experimentally measured hydrogen-brine relative permeability hysteresis affects the performance of UHS projects through numerical reservoir simulations. Relative permeability data measured during a hydrogen-water core-flooding experiment within ADMIRE project is used to design a relative permeability hysteresis model. Next, numerical simulation for a UHS project in a generic braided-fluvial water-gas reservoir is performed using this hysteresis model. A performance assessment is carried out for several UHS scenarios with different drainage relative permeability curves, hysteresis model coefficients, and injection/production rates. Our results show that both gas and liquid relative permeability hysteresis play an important role in UHS irrespective of injection/production rate. Ignoring gas hysteresis may cause up to 338% of uncertainty on cumulative hydrogen production, as it has negative effects on injectivity and productivity due to the resulting limited variation range of gas saturation and pressure during cyclic operations. In contrast, hysteresis in the liquid phase relative permeability resolves this issue to some extent by improving the displacement of the liquid phase. Finally, implementing relative permeability curves from other fluid systems during UHS performance assessment will cause uncertainty in terms of gas saturation and up to 141% underestimation on cumulative hydrogen production. These observations illustrate the importance of using relative permeability curves characteristic of hydrogen-brine system for assessing the UHS performances.

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We present an efficient compositional framework for simulation of CO2 storage in saline aquifers with complex geological geometries during a lifelong injection and migration process. To improve the computation efficiency, the general framework considers the essential hydrodynamic physics, including hysteresis, dissolution and capillarity, by means of parameterized space. The parameterization method translates physical models into parameterized spaces during an offline stage before simulation starts. Among them, the hysteresis behavior of constitutive relations is captured by the surfaces created from bounding and scanning curves, on which relative permeability and capillarity pressure are determined directly with a pair of saturation and turning point values. The new development also allows for simulation of realistic reservoir models with complex geological features. The numerical framework is validated by comparing simulation results obtained from the Cartesian-box and the converted corner-point grids of the same geometry, and it is applied to a field-scale reservoir eventually. For the benchmark problem, the CO2 is injected into a layered formation. Key processes such as accumulation of CO2 under capillarity barriers, gas breakthrough and dissolution, are well captured and agree with the results reported in literature. The roles of various physical effects and their interactions in CO2 trapping are investigated in a realistic reservoir model using the corner-point grid. It is found that dissolution of CO2 in brine occurs when CO2 and brine are in contact. The effect of residual saturation and hysteresis behavior can be captured by the proposed scanning curve surface in a robust way. The existence of capillarity causes less sharp CO2-brine interfaces by enhancing the imbibition of the brine behind the CO2 plume, which also increases the residual trapping. Moreover, the time-dependent characteristics of the trapping amount reveals the different time scales on which various trapping mechanisms (dissolution and residual) operate and the interplay. The novelty of the development is that essential physics for CO2 trapping are considered by the means of parameterized space. As it is implemented on corner-point grid geometries, it casts a promising approach to predict the migration of CO2 plume, and to assess the amount of CO2 trapped by different trapping mechanisms in realistic field-scale reservoirs.

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