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Julien Maes

Publications and source records attributed to Julien Maes.

16 recordsLinked to original sources

Machine learning enhanced data assimilation framework for multiscale carbonate rock characterization

Carbonate reservoirs offer significant capacity for subsurface carbon storage, oil production, and underground hydrogen storage. X-ray computed tomography (X-ray CT) coupled with numerical simulations is commonly used to investigate the multiphase flow behaviors in carbonate rocks. Carbonates exhibit pore size distribution across scales, hindering the comprehensive investigation with conventional X-ray CT images. Imaging samples at both macro and micro-scales (multi-scale imaging) proved to be a viable option in this context. However, multi-scale imaging faces two key limitations: the trade-off between field of view and voxel size necessitates resource-intensive imaging, while multi-scale multi-physics numerical simulations on resulting digital models incur prohibitive computational costs. To address these challenges, we propose a machine learning-enhanced data assimilation framework that leverages experimental drainage relative permeability measurements to achieve efficient characterization of micro-scale structures, delivering a data-driven solution toward a high-fidelity multiscale digital rock modeling. We train a dense neural network (DNN) as a proxy to a multi-scale pore network simulator and couple it with an ensemble smoother with multiple data assimilation (ESMDA) algorithm. DNN-ESMDA framework simultaneously infers the CO2-brine drainage relative permeability of microporosity phases with associated uncertainty estimation, revealing the relative importance of each rock phase and guiding future characterization. Our DNN-ESMDA framework achieves a computational speedup, reducing inference time from thousands of hours to seconds compared with the usage of conventional multiscale numerical simulation. Given this computational efficiency and applicability, the machine learning-enhanced ESMDA framework presents a generalizable approach for characterizing multiscale carbonate rocks.

physics.geo-ph

Inference of microporosity phase properties in heterogeneous carbonate rock with data assimilation techniques

Accurate digital rock modeling of carbonate rocks is limited by the difficulty in acquiring morphological information on small-scale pore structures. Defined as microporosity phases in computed tomography (micro-CT) images, these small-scale pore structures may provide crucial connectivity between resolved pores (macroporosity). However, some carbonate rocks are heterogeneous, and high-resolution scans are resource-intensive, impeding comprehensive sampling of microporosity phases. In this context, we propose the usage of the ensemble smoother multiple data assimilation (ESMDA) algorithm to infer the multiphase flow properties of microporosity phases from experimental observations for digital rock modeling. The algorithm's effectiveness and compatibility are validated through a case study on a set of mm-scale Estaillades drainage image data. The case study applies ESMDA to two capillary pressure models to infer the multiphase flow properties of microporosity phases. The capillary pressure curve and saturation map were used as observations to predict wetting phase saturation at six capillary pressure steps during iterative data assimilation. The ESMDA algorithm demonstrates improved performance with increasingly comprehensive observation data inputs, achieving better prediction than recently published alternative techniques. Additionally, ESMDA can assess the consistency between various forward physical models and experimental observations, serving as a diagnostic tool for future characterization. Given the diverse application conditions, we propose that ESMDA can be a general method in the characterization workflow of carbonate rocks.

physics.geo-ph

Enhanced Permeability Estimation in Microporous Rocks Using a Hybrid Macropore-Darcy Approach

This study presents a novel workflow for constructing hybrid macropore-Darcy models from micro-CT images of microporous rocks. In our approach, macropore networks are extracted using established methods, while the microporosity is characterised through segmented phase classification and incorporated into the model as Darcy cells. Effectively, Darcy cells capture the micro scale connectivity variations that are missing in the macroscopic networks. This dual entity model thus incorporates both the conventional macroscopic pore structure and the critical flow pathways present in the under-resolved microporous regions. The proposed workflow is rigorously validated by comparing the permeability estimates with direct numerical simulation (DNS) results and experimental measurements. Our findings demonstrate that this hybrid approach reliably reproduces fluid flow behaviour in complex porous media while significantly reducing computational demands, offering a promising tool for advanced groundwater modelling and water resource management.

physics.flu-dyn

A Benchmark Dataset for Machine Learning Surrogates of Pore-Scale CO2-Water Interaction

Accurately capturing the complex interaction between CO2 and water in porous media at the pore scale is essential for various geoscience applications, including carbon capture and storage (CCS). We introduce a comprehensive dataset generated from high-fidelity numerical simulations to capture the intricate interaction between CO2 and water at the pore scale. The dataset consists of 624 2D samples, each of size 512x512 with a resolution of 35 {\mu}m, covering 100 time steps under a constant CO2 injection rate. It includes various levels of heterogeneity, represented by different grain sizes with random variation in spacing, offering a robust testbed for developing predictive models. This dataset provides high-resolution temporal and spatial information crucial for benchmarking machine learning models.

physics.chem-ph

A Deep-Learning Iterative Stacked Approach for Prediction of Reactive Dissolution in Porous Media

Simulating reactive dissolution of solid minerals in porous media has many subsurface applications, including carbon capture and storage (CCS), geothermal systems and oil & gas recovery. As traditional direct numerical simulators are computationally expensive, it is of paramount importance to develop faster and more efficient alternatives. Deep-learning-based solutions, most of them built upon convolutional neural networks (CNNs), have been recently designed to tackle this problem. However, these solutions were limited to approximating one field over the domain (e.g. velocity field). In this manuscript, we present a novel deep learning approach that incorporates both temporal and spatial information to predict the future states of the dissolution process at a fixed time-step horizon, given a sequence of input states. The overall performance, in terms of speed and prediction accuracy, is demonstrated on a numerical simulation dataset, comparing its prediction results against state-of-the-art approaches, also achieving a speedup around $10^4$ over traditional numerical simulators.

cs.LG

When Cubic Law and Darcy Fail: Bayesian Correction of Model Misspecification in Fracture Conductivities

Structural uncertainties and unresolved features in fault zones hinder the assessment of leakage risks in subsurface CO2 storage. Understanding multi-scale uncertainties in fracture network conductivity is crucial for mitigating risks and reliably modelling upscaled fault leakage rates. Conventional models, such as the Cubic Law, which is based on mechanical aperture measurements, often neglect fracture roughness, leading to model misspecifications and inaccurate conductivity estimates. Here, we develop a physics-informed, AI-driven correction of these model misspecifications by automatically integrating roughness effects and small-scale structural uncertainties. Using Bayesian inference combined with data-driven and geometric corrections, we reconstruct local hydraulic aperture fields that reliably estimate fracture conductivities. By leveraging interactions across scales, we improve upon traditional empirical corrections and provide a framework for propagating uncertainties from individual fractures to network scales. Our approach thereby supports robust calibration of conductivity ranges for fault leakage sensitivity analyses, offering a scalable solution for subsurface risk assessment.

physics.geo-ph

Multi-scale flow, permeability, and heat transport in low-carbon and traditional building materials

Permeability and heat transport through building materials ultimately dictates their insulatory performance over a buildings service lifetime. Experiments combining XCT with numerical modelling are an accepted method of studying pore scale processes and have been used extensively in the oil and gas industry to study highly complex reservoir rocks. However, despite the obvious similarities in structure and application, these techniques have not yet been widely adopted by the building and construction industry. An experimental investigation was performed on the pore structure of several building materials, including conventional, historic, and innovative, using XCT and direct numerical simulation. Six samples were imaged at between a 4 and 15 micron resolution inside a micro-CT scanner. The porosity and connectivity were extracted with the grain, throat, and pore size distributions using image analysis. The permeability, velocity, and thermal conductivity were then investigated using GeoChemFoam, our highly-versatile and open source numerical solver. It was found that each material had a unique, heterogeneous and sometimes multi-scale structure that had a large impact on the permeability and thermal conductivity. Furthermore, it was found that the method of including sub-resolution porosity directly effected these bulk property calculations for both parameters, especially in the materials with high structural heterogeneity. This is the first multi-scale study of structure, flow and heat transport on building materials and this workflow could easily be adapted to understand and improve designs in other industries that use porous materials such as fuel cells and batteries technology, lightweight materials and insulation, and semiconductors.

cond-mat.mtrl-sci

Dispersivity calculation in digital twins of multiscale porous materials using the micro-continuum approach

The micro-continuum method is a novel approach to simulate flow and transport in multiscale porous materials. For such materials, the domain can be divided into three sub-domains depending on the local porosity {\epsilon}: fully resolved solid phase, for which {\epsilon}=0, fully resolved pores, for which {\epsilon}=1.0, and unresolved pores, for which 0<{\epsilon}<1.0. For such domains, the flow can be solved using the Darcy-Brinkman-Stokes (DBS) equation, which offers a seamless transition between unresolved pores, where flow is described by Darcy's law, and resolved pores, where flow is described by the Navier-Stokes equations. Species transport can then be modelled using a volume-averaged equation. In this work, we present a derivation of the closure problem for the micro-continuum approach. Effective dispersivity tensors can then be calculated through a multi-stage process. First, high resolution images are chosen for characterizing the structure of the unresolved pores. Porosity, permeability and effective dispersivity for the unresolved part are calculated by solving a closure problem based on Direct Numerical Simulation (DNS) in the high-resolution images. The effective dispersivity is then expressed as a function of the P\'eclet number, which describes the ratio of advective to diffusive transport. This relationship, along with porosity and permeability, is then integrated into the multiscale domain and the effective dispersivity tensor for the full image is calculated. Our novel method is validated by comparison with the numerical solution obtained for a fully-resolved simulation in a multiscale 2D micromodel. It is then applied to obtain an effective dispersivity model in digital twins for two multiscale materials: hierarchical ceramic foams and microporous carbonate rocks.

physics.flu-dyn

Experimental investigation of solubility trapping in 3D printed micromodels

Understanding interfacial mass transfer during dissolution of gas in a liquid is vital for optimising large-scale carbon capture and storage operations. While the dissolution of CO2 bubbles in reservoir brine is a crucial mechanism towards safe CO2 storage, it is a process that occurs at the pore-scale and is not yet fully understood. Direct numerical simulation (DNS) models describing this type of dissolution exist and have been validated with semi-analytical models on simple cases like a rising bubble in a liquid column. However, DNS models have not been experimentally validated for more complicated scenarios such as dissolution of trapped CO2 bubbles in pore geometries where there are few experimental datasets. In this work we present an experimental and numerical study of trapping and dissolution of CO2 bubbles in 3D printed micromodel geometries. We use 3D printing technology to generate three different geometries, a single cavity geometry, a triple cavity geometry and a multiple channel geometry. In order to investigate the repeatability of the trapping and dissolution experimental results, each geometry is printed three times and three identical experiments are performed for each geometry. The experiments are performed at low capillary number representative of flow during CO2 storage applications. DNS simulations are then performed and compared with the experimental results. Our results show experimental reproducibility and consistency in terms of CO2 trapping and the CO2 dissolution process. At such low capillary number, our numerical simulator cannot model the process accurately due to parasitic currents and the strong time step constraints associated with capillary waves. However, we show that, for the single and triple cavity geometry.

physics.flu-dyn

Channeling: a new class of dissolution in complex porous media

The current conceptual model of mineral dissolution in porous media is comprised of three dissolution patterns (wormhole, compact, and uniform) - or regimes - that develop depending on the relative dominance of flow, diffusion, and reaction rate. Here, we examine the evolution of pore structure during acid injection using numerical simulations on two porous media structures of increasing complexity. We examine the boundaries between regimes and characterise the existence of a fourth regime called channeling, where already existing fast flow pathways are preferentially widened by dissolution. Channeling occurs in cases where the distribution in pore throat size results in orders of magnitude differences in flow rate for different flow pathways. This focusing of dissolution along only dominant flow paths induces an immediate, large change in permeability with a comparatively small change in porosity, resulting in a porosity-permeability relationship unlike any that has been previously seen. This work demonstrates that our current conceptual model of dissolution regimes must be modified to include channeling for accurate predictions of dissolution in applications such as geologic carbon storage and geothermal energy production.

physics.flu-dyn

Improved Volume-of-Solid formulations for micro-continuum simulation of mineral dissolution at the pore-scale

We present two novel Volume-of-Solid (VoS) formulations for micro-continuum simulation of mineral dissolution at the pore-scale. The traditional VoS formulation (VoS-psi) uses a diffuse interface localization function psi to ensure stability and limit diffusion of the reactive surface. The main limitation of this formulation is that accuracy is strongly dependent on the choice of the localization function. Our first novel improved formulation (iVoS) uses the divergence of a reactive flux to localize the reaction at the fluid-solid interface, so no localization function is required. Our second novel formulation (VoS-psi') uses a localization function with a parameter that is fitted to ensure that the reactive surface area is conserved globally. Both novel methods are validated by comparison with experiments, numerical simulations using an interface tracking method based on the Arbitrary Eulerian Lagrangian (ALE) framework, and numerical simulations using the VoS-psi. All numerical methods are implemented in GeoChemFoam, our reactive transport toolbox and three benchmark test cases in both synthetic and real pore geometries are considered: (1) dissolution of a calcite post by acid injection in a microchannel and experimental comparison, (2) dissolution in a 2D polydisperse disc micromodel at different dissolution regimes and (3) dissolution in a Ketton carbonate rock sample and comparison to \textit{in-situ} micro-CT experiments. We find that the iVoS results match accurately experimental results and simulation results obtained with the ALE method, while the VoS-psi method leads to inaccuracies that are mostly corrected by the VoS-psi' formulation. In addition, the VoS methods are significantly faster than the ALE method, with a speed-up factor of between 2 and 12.

physics.flu-dyn

GeoChemFoam: Direct Modelling of flow and heat transfer in micro-CT images of porous media

GeoChemFoam is an open-source OpenFOAM-based numerical modelling toolbox that includes a range of custom packages to solve complex flow processes including multiphase transport with interface transfer, single-phase flow in multiscale porous media, and reactive transport with mineral dissolution. In this paper, we present GeoChemFoam's novel numerical model for simulation of conjugate heat transfer in micro-CT images of porous media. GeoChemFoam uses the micro-continuum approach to describe the fluid-solid interface using the volume fraction of fluid and solid in each computational cell. The velocity field is solved using Brinkman's equation with permeability calculated using the Kozeny-Carman equation which results in a near-zero permeability in the solid phase. Conjugate heat transfer is then solved with heat convection where the velocity is non-zero, and the thermal conductivity is calculated as the harmonic average of phase conductivity weighted by the phase volume fraction. Our model is validated by comparison with the standard two-medium approach for a simple 2D geometry. We then simulate conjugate heat transfer and calculate heat transfer coefficients for different flow regimes and injected fluid analogous to injection into a geothermal reservoir in a micro-CT image of Bentheimer sandstone and perform a sensitivity analysis in a porous heat exchanger with a random sphere packing.

physics.flu-dyn

GeoChemFoam: Operator Splitting based time-stepping for efficient Volume-Of-Fluid simulation of capillary-dominated two-phase flow

We present a novel time-stepping method, called Operator Splitting with Capillary Relaxation (OSCAR), for efficient Volume-Of-Fluid simulations of capillary-dominated two-phase flow. OSCAR uses operator splitting methods to separate the viscous drag and the surface tension forces. Different time-steps are used for the viscous drag steps, controlled by the injection velocity, and for the capillary relaxation steps, controlled by the velocity of capillary waves. Although OSCAR induces an additional numerical error of order 0 in time resulting from the splitting, it is well suited for simulations at low capillary number. First, the splitting error decreases with the capillary number and at low capillary number, the relaxation steps converge before reaching their last iteration, resulting in a large speed-up (here up to 250x) compared to standard time-stepping methods. The method is implemented in GeoChemFoam, our OpenFOAM-based CFD solver. Convergence, accuracy and efficiency are demonstrated on three benchmark cases: (1) the steady motion of an air bubble in a straight 2D microchannel, (2) injection of supercritical CO2 in a 3D constricted channel leading to a snap-off, and (3) water drainage in a 2D oil-wet micromodel representing a porous media.

physics.flu-dyn

GeoChemFoam: Direct modelling of multiphase reactive transport in real pore geometries with equilibrium reactions

We present the novel numerical model GeoChemFoam, a multiphase reactive transport solver for simulations on complex pore geometries, including microfluidic devices and micro-CT images. The geochemical model includes bulk and surface equilibrium reactions. Multiphase flow is solved using the Volume-Of-Fluid method and the transport of species is solved using the Continuous Species Transfer method. The reactive transport equations are solved using a sequential Operator Splitting method, with the transport step solved using our OpenFOAM-based Computational Fluid Dynamics toolbox, and the reaction step solved using Phreeqc, the US geological survey's geochemical solver. The model is validated by comparison with analytical solutions in 1D and 2D geometries. We then applied the model to simulate multiphase reactive transport in two test pore geometries: a 3D pore cavity and a 3D micro-CT image of Bentheimer sandstone. In each case, we show the pore-scale simulation results can be used to develop upscaled models that are significantly more accurate than standard macro-scale equilibrium models.

physics.flu-dyn

Benchmarking the viability of 3D printed micromodels for single phase flow using Particle Image Velocimetry and Direct Numerical Simulations

Holistic understanding of multiphase reactive flow mechanisms such as CO$_2$ dissolution, multiphase displacement, and snap-off events are vital for optimisation of large-scale industrial operations like CO$_2$ sequestration, enhanced oil recovery, and geothermal energy. Recent advances in three-dimensional (3D) printing allow for cheap and fast manufacturing of complex porosity models, which enable investigation of specific flow processes in a repeatable manner as well as sensitivity analysis for small geometry alterations. However, there are concerns regarding dimensional fidelity, shape conformity and surface quality, and therefore the printing quality and printer limitations must be benchmarked. We present an experimental investigation into the ability of 3D printing to generate custom-designed micromodels accurately and repeatably down to a minimum pore throat size of 140 micrometers, which is representative of the average pore-throat size in coarse sandstones. Homogeneous and heterogeneous micromodel geometries are designed, then the 3D printing process is optimised to achieve repeatable experiments with single-phase fluid flow. Finally, Particle Image Velocimetry is used to compare the velocity map obtained from flow experiments in 3D printed micromodels with the map generated with direct numerical simulation (OpenFOAM software) and an accurate match is obtained. This work indicates that 3D printed micromodels can be used to accurately investigate pore-scale processes present in CO$_2$ sequestration, enhanced oil recovery and geothermal energy applications more cheapely than traditional micromodel methods.

physics.flu-dyn

Upscaling the porosity-permeability relationship of a microporous carbonate to the Darcy scale with machine learning

The permeability of a pore structure is typically described by stochastic representations of its geometrical attributes. Database-driven numerical solvers for large model domains can only accurately predict large-scale flow behaviour when they incorporate upscaled descriptions of that structure. The upscaling is particularly challenging for rocks with multimodal porosity structures such as carbonates, where several different types of structures are interacting. It is the connectivity both within and between these different structures that controls the porosity-permeability relationship at the larger length scales. Recent advances in machine learning combined with numerical modelling and structural analysis have allowed us to probe the relationship between structure and permeability more deeply. We have used this integrated approach to tackle the challenge of upscaling multimodal and multiscale porous media. We present a novel method for upscaling multimodal porosity-permeability relationships using machine learning based multivariate structural regression. A m-CT image of limestone was divided into sub-volumes and permeability was computed using the DBS model. The porosity-permeability relationship from Menke et al. was used to assign permeability values to the microporosity. Structural attributes of each sub-volume were extracted and then regressed against the solved permeability using an Extra-Trees regression model to derive an upscaled porosity-permeability relationship. Ten upscaled test cases were then modelled at the Darcy scale using the regression and benchmarked against full DBS simulations, a numerically upscaled Darcy model, and a K-C fit. We found good agreement between the full DBS simulations and both the numerical and machine learning upscaled models while the K-C model was a poor predictor in all cases.

physics.geo-ph