Transport in Porous Media最新文献

{"title":"Pore-Scale Simulation of Relative Permeability Hysteresis from a Workflow of Level-Set and Lattice-Boltzmann Methods: The Case of Consolidated Media with Low Pore-to-Throat Aspect Ratio","authors":"Johan Olav Helland,&nbsp;Espen Jettestuen,&nbsp;Olav Aursjø","doi":"10.1007/s11242-026-02308-2","DOIUrl":"10.1007/s11242-026-02308-2","url":null,"abstract":"<div><p>We present a workflow, based on level-set and lattice-Boltzmann methods, for numerical estimation of relative permeability and capillary pressure curves with hysteresis in capillary-dominated flow on segmented 3D rock images. Calculation of relative permeability from rock images has commonly been limited to studies of the bounding hysteresis loop and conventional porous media. Here, we demonstrate the workflow on an almost unexplored case, a consolidated sandstone with low pore-to-throat aspect ratio, and obtain a complex relative permeability hysteresis behavior, consistent with the few studies available for such media. The pore-scale simulations include primary drainage, followed by the main bounding hysteresis loop and scanning curves for secondary drainage and secondary imbibition. We also explore the impact of initial saturation after primary drainage on hysteresis and phase trapping. The relative permeability hysteresis is larger for the non-wetting phase than for the wetting phase, yet the extent of both decreases with increasing initial wetting-phase saturation. For the non-wetting-phase relative permeability, imbibition and drainage curves may cross, while scanning curves cross each other and exhibit a more significant hysteresis than the bounding loop. The role of trapped ganglia makes secondary processes different from primary. The behavior complies with hysteresis in phase connectivity, in which snap-off/coalescence breaks/recovers pathways. The results deviate significantly from the nested hysteresis loops seen for unconsolidated media and show that hysteresis in scanning curves cannot be neglected, indicating that flexible machine learning methods are better suited approaches than standard hysteresis models to implement this complex relative permeability behavior in reservoir simulators.</p></div>","PeriodicalId":804,"journal":{"name":"Transport in Porous Media","volume":"153 5","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11242-026-02308-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147649469","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Microfluidic Investigation of High-Pressure High-Temperature Pore-Scale Hydrocarbon Gas–Water–Oil Three-Phase Flow in Reservoir-Type Underground Gas Storage","authors":"Qian Zhang,&nbsp;Dewen Zheng,&nbsp;Jieming Wang,&nbsp;Lei Shi,&nbsp;Chun Li,&nbsp;Huayin Zhu","doi":"10.1007/s11242-026-02303-7","DOIUrl":"10.1007/s11242-026-02303-7","url":null,"abstract":"<div><p>Understanding pore-scale hydrocarbon gas–water–oil three-phase flow in reservoir-type underground gas storage (UGS) remains limited, particularly under repeated seasonal injection-withdrawal cycles at elevated pressure and temperature. This gap limits mechanistic interpretation of injectivity evolution, pressure hysteresis, and working-gas loss in oil reservoirs converted to UGS. The present study develops an HPHT microfluidic visualization platform to observe three-phase dynamics in a sandstone-pattern micromodel at 85 °C under cyclic pressures of 10–29 MPa. The protocol reproduces key stages of UGS construction and operation, enabling real-time tracking of interfaces, phase redistribution, and connectivity. Weakly water-wet/mixed-wet conditions create persistent capillary heterogeneity, leading to capillarity-controlled fingering, snap-off, and immobilized oil films and ganglia during waterflooding, which subsequently constrain gas accessibility. During graded gas injection, intermittent pore-scale invasions and gas–water reconfiguration rapidly establish preferential gas pathways that dominate injectivity and cushion-gas development. Concurrently, sustained gas–oil contact promotes interphase mass transfer (gas dissolution into oil), manifested by oil swelling and enhanced oil mobility that locally assists remobilization and pathway evolution along the pressure trajectory. During withdrawal, wetting-phase re-imbibition partially collapses gas pathways, while flow reversal induces interfacial shear that redistributes wall-attached liquid films, together promoting irreversible gas trapping and connectivity hysteresis. In the first cycle, bulk gas saturation increases from ~ 40 to ~ 72%, while oil displacement efficiency (used solely as a diagnostic for three-phase redistribution) rises from ~ 12 to ~ 23% during injection and reaches ~ 26–27% at early withdrawal. These pore-scale observations provide mechanistic constraints for optimizing pressure windows and maximizing working-gas recovery in reservoir-type UGS systems.</p></div>","PeriodicalId":804,"journal":{"name":"Transport in Porous Media","volume":"153 5","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147649470","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Local Thermal Non-equilibrium Models in Porous Media: A Comparative Study of Conduction Effects","authors":"Anna Mareike Kostelecky,&nbsp;Ivar Stefansson,&nbsp;Carina Bringedal,&nbsp;Tufan Ghosh,&nbsp;Helge K. Dahle,&nbsp;Rainer Helmig","doi":"10.1007/s11242-026-02305-5","DOIUrl":"10.1007/s11242-026-02305-5","url":null,"abstract":"<div><p>Instantaneous heat transfer between different phases, known as local thermal equilibrium (LTE), is commonly assumed for modeling heat transfer in porous media. This assumption may not hold in certain technical and environmental applications, particularly with large temperature gradients, large differences in thermal properties, or high velocities. Local thermal non-equilibrium (LTNE) models aim to describe heat transfer processes when the LTE assumption may fail. We compare three continuum-scale models from the pore to the representative elementary volume (REV) scale. Specifically, dual-network and REV-scale models are evaluated against a pore-resolved model used as a reference in the absence of experimental results. Different effective models are used to obtain upscaled properties on the REV scale and to compare resulting temperature profiles. The systems investigated are fully saturated, consisting of one fluid and one solid phase. This study focuses on purely conductive systems without significant differences in thermal properties. Results show that LTE holds for low interfacial resistances. However, for large interfacial resistances, solid and fluid temperatures differ. The REV-scale model with effective parameters obtained by homogenization leads to similar results as the pore-resolved model, whereas the dual-network model deviates more due to fixed spatial resolution. Among the evaluated REV-scale formulations, only the homogenization-based approach captures the LTNE behavior, as it incorporates the interfacial heat transfer coefficient. Our results provide a basis for conduction-dominated heat transfer in saturated porous media and for further systematic comparisons that incorporate convection relevant to a broader range of applications.</p></div>","PeriodicalId":804,"journal":{"name":"Transport in Porous Media","volume":"153 5","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11242-026-02305-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147649471","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Operando Acoustic Emission Monitoring of Gas Transport in Porous Membranes","authors":"Elise Doveri,&nbsp;Christophe Charmette,&nbsp;Martin Drobek,&nbsp;Gilles Despaux,&nbsp;Philippe Da Costa,&nbsp;Benoit Coasne,&nbsp;Emmanuel Le Clezio,&nbsp;Anne Julbe","doi":"10.1007/s11242-026-02307-3","DOIUrl":"10.1007/s11242-026-02307-3","url":null,"abstract":"<div><h3>\u0000 <b>Purpose:</b>\u0000 </h3><p>This study provides a comprehensive investigation of the link between gas transport and acoustic emission (AE) across porous membranes with varying pore sizes (20 nm, 8 nm and 0.55 nm).</p><h3>\u0000 <b>Methods:</b>\u0000 </h3><p>Using both microphone and piezoelectric transducer measurements, acoustic measurements were performed to reveal distinct behaviors depending on the sensor type and the membrane microstructure.</p><h3>\u0000 <b>Results:</b>\u0000 </h3><p>Microphone-recorded signals are dominated by gas resonances within the membrane’s tubular support—regardless of the membrane pore size. This was evidenced by the consistent harmonic patterns observed across all gases and membranes when normalized to the speed of sound of the respective gases. In contrast, piezoelectric transducer signals are measured in contact with the membrane and are therefore sensitive to fluid–structure interactions. These signals exhibit gas-specific acoustic signatures, particularly for membranes with larger pores. For the zeolite membrane (<span>(D=0.55)</span> nm), <span>(hbox {CO}_2)</span> display a unique amplitude evolution, likely due to adsorption phenomena within the microporous structure displaying a very large surface area in contrast to the other materials under study. This is further supported by the contrasting signal-to-noise ratios observed between the gas phase and the solid membrane, thus highlighting the role of adsorption-induced energy transfer.</p><h3>\u0000 <b>Conclusion:</b>\u0000 </h3><p>The combination of AE techniques and harmonic analysis prove effective in distinguishing gas transport regimes and identifying the influence of microstructural features such as pore size and adsorption. These findings not only deepen our understanding of gas-membrane interactions, but also demonstrate the potential of AE as a non-invasive <i>operando</i> diagnostic tool for membrane characterization, with the extension to gas-mixture separations identified as a perspective for future work.</p><h3>\u0000 <b>Highlights:</b>\u0000 </h3><p>Gas transport and acoustic emission behavior across membranes are investigated. Microphone signals are dominated by gas resonances and unaffected by membrane pore size. Piezoelectric transducer signals reflect fluid–structure interactions and adsorption.</p></div>","PeriodicalId":804,"journal":{"name":"Transport in Porous Media","volume":"153 4","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147643022","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthetic Mangrove Systems for Capillary-Driven Desalination: A Narrative Review of Biomimetic Principles, Materials, and Applications","authors":"Alberto Boretti","doi":"10.1007/s11242-026-02309-1","DOIUrl":"10.1007/s11242-026-02309-1","url":null,"abstract":"<div><p>This narrative review examines the emerging field of synthetic mangrove systems for capillary-driven desalination, a biomimetic strategy inspired by the natural salt-exclusion mechanisms of mangrove roots. By integrating principles of plant hydraulics with advanced materials science, researchers have developed engineered systems that replicate key mangrove adaptations—including suberin-like barriers, aquaporin-mediated transport, and transpiration-driven negative pressure—to enable passive, energy-efficient freshwater production. Recent innovations in nanoporous membranes, biomimetic hydrogels, and artificial water channels have demonstrated the ability to generate capillary pressures sufficient to overcome osmotic pressures exceeding 400 bar, facilitating the desalination of hypersaline and contaminated water sources without external pumping. This review synthesizes recent advancements, highlighting the design and performance of leaf-, xylem-, and root-inspired components, while critically addressing persistent challenges, such as cavitation, membrane fouling, durability, and scalability. This review uniquely bridges recent, often disparate advancements across materials science, fluid dynamics, and biomimicry into a cohesive framework for the design of next-generation desalination systems. Emerging solutions—including gas-entrapping microtextured surfaces, slippery liquid-infused porous surfaces, and modular system architectures—are evaluated for their potential to enhance operational stability and real-world applicability. A novel set of six design rules is proposed, distilling biological principles into actionable engineering guidelines. The relative importance and design complexity of the three core functional components—roots, xylem, and leaves—are critically assessed, identifying the leaf as the fundamental engine and the root as the most design-intensive component. Although current implementations remain largely confined to laboratory settings, synthetic mangrove systems offer a promising pathway toward sustainable, decentralized water purification, particularly for off-grid and resource-limited environments. However, this promise must be tempered with realism: current operational lifespans are measured in hours to days, far short of the years required for industrial application, and substantial barriers in cavitation mitigation, scalability, and cost remain unresolved. By bridging biological insight with engineering innovation, this technology represents a transformative approach to next-generation desalination, aligning with global goals for water security and energy sustainability.</p></div>","PeriodicalId":804,"journal":{"name":"Transport in Porous Media","volume":"153 4","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147643021","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Dual-Continuum Approach for Precipitated Salt in Porous Media: Accounting for Coupled Transport Processes","authors":"Simon Grether,&nbsp;Anna Mareike Kostelecky,&nbsp;Stefanie Kiemle,&nbsp;Martin Schneider,&nbsp;Rainer Helmig","doi":"10.1007/s11242-026-02302-8","DOIUrl":"10.1007/s11242-026-02302-8","url":null,"abstract":"<div><p>Salt precipitation in porous media can negatively impact environmental systems. It enhances the evaporation process and thereby leads to a faster drying of soils. To address this, we introduce a dual-continuum modeling framework that enables the simulation of fluid flow in both the original, main porous structure, referred to as porous matrix, and the newly formed salt structure. We present two modeling strategies: (1) a coupled-flow model that explicitly resolves mass and energy transport in both the matrix and salt continua, incorporating advective, diffusive, and filling-based exchange terms; and (2) a pseudo-flow model that assumes full saturation of the salt continuum and implicitly captures flow based on evaporative demand, improving computational efficiency. Both approaches reproduce expected saturation profiles, temperature distributions, and evaporation behavior. The resulting evaporation rates are increased, leading to a faster drying out of the porous medium compared to a single-continuum model. The coupled-flow model shows that the precipitated salt remains liquid-saturated for a longer period than the surrounding matrix, thereby sustaining upward water transport; however, its results are sensitive to the parameterization. By assuming full saturation of the precipitated salt, the pseudo-flow model yields the higher evaporation rates while also improving numerical stability. This work presents a first step toward modeling the coupled transport processes resulting from salt precipitation in porous media.</p></div>","PeriodicalId":804,"journal":{"name":"Transport in Porous Media","volume":"153 4","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11242-026-02302-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147606969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Physical Modeling of Stress-Dependent Rock Permeability: The Role of Microcrack Slippage and Deformation Heterogeneity","authors":"Evgenii Kozhevnikov,&nbsp;Mikhail Turbakov,&nbsp;Zakhar Ivanov,&nbsp;Evgenii Riabokon,&nbsp;Mikhail Guzev,&nbsp;Evgenii Gladkikh,&nbsp;Seyyed Shahab Tabatabee Moradi,&nbsp;Dan Ma,&nbsp;Liyuan Yu,&nbsp;Jiangyu Wu","doi":"10.1007/s11242-026-02306-4","DOIUrl":"10.1007/s11242-026-02306-4","url":null,"abstract":"<div><p>This paper proposes a new method for the physical modeling of the microcrack slippage mechanism on percolation behavior in rock samples under cyclic confining pressure. The physical models are produced using 3D printing and are two-part cylinders consisting of two halves. One half of the cylinder has a rectangular capillary on the adjacent surface. The other half is smooth and lacks a capillary. This two-part physical model concept allows for the evaluation of deformation non-uniformity in cylindrical samples under radial-axial compression. Comparative studies have shown that the hydraulic conductivity dynamics of the developed physical models show qualitatively similar trends to those of real porous and artificially fractured rocks. The hydraulic conductivity dynamics of the physical models includes patterns characteristic of both porous and artificially fractured samples. It has been experimentally demonstrated that the observed nonlinearity and hysteresis are consistent with frictional slip along a controlled interface and the associated geometric evolution of the capillary. Comparative studies have shown that in solid cylindrical physical models without fracturing, the dependence of hydraulic conductivity on pressure is linear. It has been established that, under cyclic radial-axial compression, nonuniform strain accumulation is observed in two-piece cylindrical specimens. The obtained results contribute to the understanding of the mechanisms of stress sensitivity of rock permeability and highlight the importance of considering microcrack/interface effects and principal stress orientation when interpreting laboratory stress-sensitivity measurements in rocks.</p></div>","PeriodicalId":804,"journal":{"name":"Transport in Porous Media","volume":"153 4","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147560348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pore-Size Distribution of Coal Characterized by NMR Relaxometry and Cryoporometry","authors":"Minchuan Jiang,&nbsp;Tien Dung Le,&nbsp;Didier Stemmelen,&nbsp;Sébastien Leclerc,&nbsp;Irina Panfilov","doi":"10.1007/s11242-026-02304-6","DOIUrl":"10.1007/s11242-026-02304-6","url":null,"abstract":"<div><p>Accurate pore-size characterization in coal is crucial for optimizing energy recovery processes and improving predictions of gas storage, transport, and environmental impact. In this study, nuclear magnetic resonance cryoporometry (NMRC) and NMR T2 relaxometry were employed to non-destructively characterize the microporosity pore-size distribution (PSD) based on the phase behavior of confined fluids and to determine the surface relaxivity of coal microporosity. By tracking the melting and freezing transitions of water within the porous matrix of nanoporous materials under controlled temperature variations, NMRC exploits the melting-point depression phenomenon to accurately obtain pore diameters ranging from a few nanometers to several hundreds of nanometers. Low-field NMR measurements were performed using the Carr–Purcell–Meiboom–Gill (CPMG) pulse sequence to acquire transverse relaxation time (T2) distributions, enabling the analysis of non-freezing water within different pore populations across a wide range of temperatures. The resulting signal attenuation profiles were correlated with pore sizes by calibrating the NMRC PSD and T2 distribution curve, allowing estimation of the surface relaxivity. A custom experimental setup enabled in situ temperature calibration and precise thermal control throughout the experimental process. The approach was applied to coal from the Lorraine–Saar basin, revealing distinct micro- and mesopore populations. NMRC thus offers a robust, non-invasive technique for accurately quantifying the micropore structure of coal. In addition, a complementary T2 experiment performed during controlled drying was used to investigate water-evaporation mechanisms in coal, enabling non-destructive monitoring of moisture redistribution across different pore scales.</p></div>","PeriodicalId":804,"journal":{"name":"Transport in Porous Media","volume":"153 4","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147560349","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Patch-Based Super-Resolution Generative Adversarial Network for High-Resolution Image Reconstruction in Digital Core Analysis","authors":"Ifeanyi Nwankwo,&nbsp;Frank Male,&nbsp;Zuleima Karpyn","doi":"10.1007/s11242-026-02300-w","DOIUrl":"10.1007/s11242-026-02300-w","url":null,"abstract":"<div><p>Accurate modeling of pore-level flow relies on high-resolution images, typically from X-ray micro-computed tomography (micro-CT). However, such imaging is limited to small samples, often below a viable representative elemental volume. In contrast, core-scale samples provide more representative volumes but at lower resolutions. Bridging this resolution gap is critical for extending laboratory-scale insights to practical field applications. In this study, we present a patch-based super-resolution generative adversarial network (PatchSRGAN) designed to achieve 8× high-fidelity reconstruction of high-resolution sandstone micro-CT images from low-resolution inputs, enabling enhanced pore-scale characterization across scales. Unlike mainstream SRGANs, PatchSRGAN uses a patch-based discriminator to provide more meaningful generator feedback by focusing on local details defined by output patch dimensions during training. We analyzed different model setups defined by the discriminator output dimension against baseline methods, such as SRGAN and bicubic interpolation. Results showed that ensuring high-fidelity, high-resolution image reconstruction (512 × 512 pixels at ~ 4.39 μm/pixel) from low-resolution inputs (64 × 64 pixels at ~ 35.12 μm/pixel) requires a patch-based discriminator output dimension of 8 × 8 or higher for more accurate flow property-related metrics. Model setups were comparatively evaluated using mean absolute error, structural similarity index measure, peak signal-to-noise ratio, recall, and precision. The reconstructed images closely matched real high-resolution images in terms of porosity, preferential flow direction, and pore-size distribution, indicating that our model effectively preserves pore geometry during super-resolution. Moreover, PatchSRGAN demonstrates robustness to noise, maintaining acceptable performance even with degraded low-resolution inputs, which highlights its potential for reconstructing high-resolution images from actual core-scale images that are characteristically noisier.</p></div>","PeriodicalId":804,"journal":{"name":"Transport in Porous Media","volume":"153 4","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11242-026-02300-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147560359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Reactive Transport Modeling with Physics-Informed Machine Learning for Critical Minerals Applications","authors":"Kripa Adhikari,&nbsp; Md. Lal Mamud,&nbsp;Maruti Kumar Mudunuru,&nbsp;Kalyana B. Nakshatrala","doi":"10.1007/s11242-026-02301-9","DOIUrl":"10.1007/s11242-026-02301-9","url":null,"abstract":"<p>This study presents a physics-informed neural networks (PINNs) framework for reactive transport modeling for simulating fast bimolecular reactions in porous media. Accurate characterization of chemical interactions and product formation in surface and subsurface environments is essential for advancing critical mineral extraction and related geoscience applications. The proposed methodology sequentially addresses the flow and diffusion–reaction subproblems. The flow field is computed using a mixed formulation, while the diffusion–reaction system is modeled via two uncoupled tensorial diffusion equations reformulated in terms of chemical invariants. PINNs are employed to solve the governing equations, enabling data-efficient, mesh-free prediction of chemical concentration fields. The framework is validated through a series of benchmark problems involving flow in heterogeneous porous media. Initial verification is conducted using patch tests for the flow field, followed by validation of the transport problem with emphasis on preserving non-negativity of concentrations. The complete fast bimolecular reaction scenario is then solved, yielding spatial distributions of reactants and product species. Results demonstrate that the PINNs-based approach effectively captures sharp, mixing-limited reaction fronts and dispersive mixing behavior, offering reliable predictions of reactive plume evolution. These capabilities are crucial for evaluating long-term subsurface behavior in applications such as fluid storage, energy extraction, and efficient extraction of critical minerals.</p><p>Figure (A) shows the velocity field, with arrows indicating variations in direction and magnitude typical of an <i>in situ</i> leaching scenario. Flow through heterogeneous media creates channeling and recirculation zones that strongly affect reagent transport and mixing. (B) depicts the plume of product C (e.g., a metal–ligand complex) formed by a fast bimolecular reaction between reactants A (e.g., acid donor) and B (e.g., complexing agent). Concentrations are predicted using physics-informed neural networks (PINNs). The plume starts at the left boundary, where reactants enter, and sharpens moving right. Capturing these mixing-limited fronts is key to optimizing reagent injection, maximizing critical mineral extraction/recovery, and minimizing reagent use and by-products. </p>","PeriodicalId":804,"journal":{"name":"Transport in Porous Media","volume":"153 4","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147441543","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}