Article
Water Resources
Nicolae Suciu, Florin A. Radu, Iuliu S. Pop
Summary: Reactive transport in porous media can be upscaled to a larger scale by using coarse-grained space-time (CGST) averages. This approach allows us to model the flow velocity and diffusion coefficient in terms of averaged microscopic quantities, which are verified using global random walk (GRW) simulations. The upscaled approach is applied to biodegradation processes in aquifers and soils, showing significant differences with classical volume averages in time-dependent processes.
ADVANCES IN WATER RESOURCES
(2023)
Article
Environmental Sciences
Kyle Pietrzyk, Ilenia Battiato
Summary: In this second part, an algorithmic procedure is presented for implementing the generalized closure form strategy described in Part 1. The algorithm is encoded into Symbolica, an automated upscaling framework, and is used to upscale two reactive mass transport problems. The resulting nonlinear homogenized models are numerically validated, and it is shown that the predicted absolute error estimates are satisfied. The automated strategy formulates closure forms and problems without human interaction or prior knowledge, demonstrating the value of automated analytical frameworks for multiscale modeling.
WATER RESOURCES RESEARCH
(2023)
Article
Mathematics, Applied
O. Yu Dinariev, L. A. Pessoa Rego, P. Bedrikovetsky
Summary: This paper develops a modified version of the Boltzmann's equation for micro-scale particulate flow with capture and diffusion, revealing the delay in particle transport as a collective effect of particle capture and diffusion. The derived governing equation generalizes the current models for suspension-colloidal-nano transport in porous media.
JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS
(2022)
Article
Engineering, Chemical
Lena Scholz, Carina Bringedal
Summary: The heat transport through thin porous media is affected by the local pore geometry and the boundary conditions. By solving cell problems, the impact of local grain shape on the effective heat conductivity is demonstrated.
TRANSPORT IN POROUS MEDIA
(2022)
Review
Energy & Fuels
Xiaoying Zhang, Funing Ma, Shangxian Yin, Corey Wallace, Mohamad Reza Soltanian, Zhenxue Dai, Robert W. Ritzi, Ziqi Ma, Chuanjun Zhan, Xiaoshu Lu
Summary: The physical and biogeochemical heterogeneity in geological formations significantly impacts fluid flow and solute transport behaviors, making upscaling a valid approach for estimating large-scale parameters. Deterministic and stochastic are the two main categories of upscaling methodologies, with volume averaging being widely applicable and numerical solutions gaining popularity. The gap between approach algorithms and real-world applications calls for an integrated upscaling framework incorporating uncertainty quantification techniques, data sciences, and artificial intelligence for future geo-energy research.
Article
Environmental Sciences
Kyle Pietrzyk, Ilenia Battiato
Summary: In porous media theory, upscaling techniques play an important role in obtaining accurate models for flow and reactive transport in subsurface systems. This study presents a strategy to enhance the classical homogenization theory by expanding its applicability and implementing it on reactive mass transport problems. The strategy produces nontrivial homogenized models that couple reactive, diffusive, and advective transport, and caution is advised when assuming the forms of macroscopic equations without rigorous derivation. Numerical validation and automated implementation using symbolic computing are provided in the second part of the series.
WATER RESOURCES RESEARCH
(2023)
Article
Engineering, Civil
Ping Yang, Shujun Ye, Brent Sleep
Summary: This study analyzed the impact of microbial growth and methane generation on groundwater flow during anaerobic bioremediation. The results showed that microbial growth and biogenic gas production can increase the dispersivity of groundwater. Model predictions of dispersivity changes differed from actual values.
JOURNAL OF HYDROLOGY
(2021)
Article
Engineering, Environmental
Jiaju Fu, Bin Gao, Hongxia Xu, Shefeng Hao, Jinghua Ren, Jichun Wu, Yuanyuan Sun
Summary: This study investigated the impact of biofilm, specifically Gram-positive Bacillus subtilis (BS), Gram-negative Pseudomonas aeruginosa (PA), and wild microbiota (WM), on the transport of perfluorooctanoic acid (PFOA) in saturated sand columns. The results showed that biofilm increased the retention of PFOA, but the effects varied depending on the bacterial species. In addition, the influence of ionic strength on PFOA transport differed among the biofilm types. The findings of this study have important implications for the risk assessment and remediation of PFOA contamination.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Environmental Sciences
Ziyan Wang, Ilenia Battiato
Summary: This study employs deep learning to upscale physical processes in multiscale fracture networks in shales, overcoming challenges that cannot be effectively upscaled by traditional methods. By developing a deep learning multiscale algorithm, the research successfully applies the approach in specific scenarios and establishes a general model that can work under various conditions.
WATER RESOURCES RESEARCH
(2021)
Article
Environmental Sciences
Aronne Dell'Oca, Marco Dentz
Summary: In this study, we focus on the upscaling and prediction of ensemble dispersion in two-dimensional heterogeneous porous media, specifically transverse dispersion. We investigate the stochastic dynamics of advective particles in the heterogeneous flow field and find that transverse dispersion exhibits ultraslow diffusion due to the solenoidal character of the flow field. By analyzing particle velocities and orientations through equidistant sampling along particle trajectories obtained from direct numerical simulations, we derive a stochastic model that combines correlated Gaussian noise for transverse motion and a spatial Markov model for particle speeds. We compare the model results with detailed numerical simulations in different heterogeneous porous media.
WATER RESOURCES RESEARCH
(2023)
Article
Geochemistry & Geophysics
Laure Chevalier, Harro Schmeling
Summary: Fluid flow through rock occurs in various geological settings and can be either in thermal equilibrium or non-equilibrium with the host rock. By formulating the coupled heat equations and non-dimensionalizing them, the parameters controlling thermal non-equilibrium are identified. The solutions and scaling laws derived from numerical and analytical methods agree well and show different regimes of thermal non-equilibrium depending on the Peclet number and the initial thermal gradient. Applying these findings to natural magmatic systems can help understand their thermal states.
Article
Thermodynamics
Yang Liu, Yangbo Deng, Junrui Shi, Tingting Yan, Zhenyu Min, Bingquan Ge
Summary: This study uses numerical simulation to investigate the non-equilibrium characteristics of gas velocity and temperature in a two-layer porous media burner, showing that the extent of flow non-equilibrium increases with increasing inlet velocity and equivalence ratio, while gas temperature non-equilibrium decreases slightly with inlet velocity.
CASE STUDIES IN THERMAL ENGINEERING
(2022)
Article
Engineering, Chemical
D. R. Rieder, E. A. J. F. Peters, J. A. M. Kuipers
Summary: This investigation analyzes the influence of internal surface reactions on diffusive fluxes in porous media using Fourier-mode analysis in a spherical coarsely porous model. The results determine trends and estimate the overall impact for the given geometries.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Engineering, Chemical
Lazaro J. Perez, Alexandre Puyguiraud, Juan J. Hidalgo, Joaquin Jimenez-Martinez, Rishi Parashar, Marco Dentz
Summary: We study mixing-controlled chemical reactions in unsaturated porous media from a pore-scale perspective. The results show that there is a significant increase in reactive mixing for decreasing saturation, which is caused by the stronger heterogeneity of the water phase and flow field.
TRANSPORT IN POROUS MEDIA
(2023)
Article
Engineering, Geological
Jongmuk Won, Junghwoon Lee, Susan E. Burns
Summary: This study developed a framework to upscale the results obtained in pore-scale modeling to the continuum scale through the use of a pore network model. The pore network model incorporated variables of mean particle size, the standard deviation of particle size distribution, and interparticle forces between particles and sand grains. The obtained retention profiles using the pore network model were converted into attachment coefficients in the advection-dispersion equation for long-term and large-scale simulation.
Article
Engineering, Civil
Ever-Dennys Coarita-Tintaya, Fabrice Golfier, Mountaka Souley, Minh-Ngoc Vu
Summary: The Meuse/Haute-Marne underground research laboratory was built in France to assess the feasibility and safety of a deep geological formation for hosting an industrial radioactive waste repository. The study found that further understanding is needed for observations related to the direction of the major horizontal stress. By developing an elasto-viscoplastic model with transient creep and inherent anisotropies, the hydromechanical behavior of the COx claystone can be better understood.
EUROPEAN JOURNAL OF ENVIRONMENTAL AND CIVIL ENGINEERING
(2023)
Article
Engineering, Chemical
Jianwei Guo, Farid Laouafa, Michel Quintard
Summary: This paper investigates the dissolution of porous formations with various Darcy-scale heterogeneities, demonstrating the ability of a large-scale model to accurately capture the main features of Darcy-scale results within its applicability domain. The large-scale model shows good agreement with Darcy-scale results for stratified systems, especially when the dissolution front is sharp, while some discrepancies may arise in the case of thin dissolution fronts. Overall, the study highlights the potential of a fully homogenized large-scale model incorporating dissolution history effects.
TRANSPORT IN POROUS MEDIA
(2022)
Article
Engineering, Geological
D. Grgic, F. Al Sahyouni, F. Golfier, M. Moumni, L. Schoumacker
Summary: Laboratory experiments on rock salt specimens revealed that gas permeability evolution under different loading conditions is influenced by various factors, such as microcracking and self-recovery processes. These findings provide strong support for underground hydrogen storage in salt caverns as a safe solution due to competitive mechanisms that inhibit significant permeability changes.
ROCK MECHANICS AND ROCK ENGINEERING
(2022)
Review
Environmental Sciences
Amelie Cavelan, Fabrice Golfier, Stefan Colombano, Hossein Davarzani, Jacques Deparis, Pierre Faure
Summary: The increase in temperature and groundwater level fluctuations are expected to enhance biodegradation processes, LNAPL mobility, and release of LNAPL compounds to the atmosphere and groundwater, while decreasing LNAPL mass and longevity. The impacts will vary across different environmental conditions affected by climate change.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Water Resources
Maxime Cochennec, Hossein Davarzani, Yohan Davit, Stefan Colombano, Ioannis Ignatiadis, Guillaume Masselot, Michel Quintard
Summary: This study investigates the influence of gravity and inertia forces on the stable displacement of DNAPL in highly permeable porous media. Experimental and modeling results indicate that gravity can significantly alter the fluid front, while inertia only has a noticeable impact under specific circumstances.
ADVANCES IN WATER RESOURCES
(2022)
Article
Water Resources
Luyu Wang, Fabrice Golfier, Anne-Julie Tinet, Weizhong Chen, Cornelis Vuik
Summary: This study investigates the numerical method and equivalent continuum approach for fluid flow in fractured porous media. By developing an efficient implicit scheme and utilizing an improved equivalent continuum approach, the proposed numerical scheme improves convergence condition and computational efficiency, and successfully simulates fluid flow in fracture networks with complex geometry.
ADVANCES IN WATER RESOURCES
(2022)
Article
Geochemistry & Geophysics
Yoram Teitler, Sylvain Favier, Jean-Paul Ambrosi, Brice Sevin, Fabrice Golfier, Michel Cathelineau
Summary: This study investigates the distribution of scandium in nickel-cobalt lateritic ores and proposes a method to estimate its concentration using routinely analyzed elements. The results show a strong correlation between scandium and Al2O3. By analyzing the concentration and distribution of Al, the scandium content can be estimated, which is of great importance for evaluating scandium resources.
Article
Geology
Sylvain Favier, Yoram Teitler, Fabrice Golfier, Michel Cathelineau
Summary: Supergene processes in New Caledonian peridotites lead to Ni enrichment near bedrock due to downward water migration and dissolution of primary minerals. However, the combined effects of relief, lateral fluid flow, and complex inherited discontinuity networks filled by serpentine create a more complex distribution of Ni than a simple flat horizon. In surficial environments, lateral fluid circulation and local drainage along damage zones in the vicinity of faults can also affect the fluid flow and mass transfer.
ORE GEOLOGY REVIEWS
(2022)
Article
Physics, Multidisciplinary
Jianwei Guo, Farid Laouafa, Michel Quintard
Summary: This paper focuses on the dissolution problems occurring in laterally large 3D systems with very small dimensions along the third coordinate, such as fractures or Hele-Shaw cells. The study applies upscaling to the 3D pore-scale model using volume averaging method to develop 2D averaged equations. The influence of momentum equations on the accuracy of the 2D Hele-Shaw model is discussed, and it is shown that the results obtained using Darcy-Brinkman equations are better due to the consideration of the viscous boundary layer. The validity and accuracy of the resulting 2D model are assessed based on comparisons with full 3D solutions.
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
(2023)
Article
Chemistry, Physical
Mohamed Ahmed-Maloum, Thomas David, Laure Guetaz, Paul Duru, Joel Pauchet, Michel Quintard, Marc Prat
Summary: The effective diffusion properties of a gas diffusion layer composed of fibrous gas diffusion medium (GDM) and a microporous layer (MPL) were characterized using numerical simulations and advanced imaging techniques. The MPL's diffusion tensor was determined using reconstructed 3D images obtained from micro X-ray computed tomography and focused ion beam-scanning electron microscopy. The through-plane diffusion coefficient of the GDM-MPL assembly was computed considering the presence of MPL cracks and GDM fibers. The impact of MPL penetration into the GDM and GDM compressibility were also evaluated.
JOURNAL OF POWER SOURCES
(2023)
Article
Geosciences, Multidisciplinary
Khalifa Eldursi, Luc Scholtes, Marianne Conin, Fabrice Golfier, Patrick Ledru, Julien Mercadier, Pauline Collon, Remy Chemillac
Summary: Although favorable loci of basin-basement mineral deposits have been identified in previously studied intersecting fault arrays, their role in controlling fluid flow patterns for formation of oriented- and structurally-controlled mineral deposits remains unclear. This study conducted 3-D hydromechanical models to investigate the response of a natural fault intersected by a hydraulic fault under different stress regimes. The results showed that the intersection angle and horizontal differential stress have the most noticeable effect on fluid flow, with the critical intersection angle varying between approximately 27 to 55 degrees depending on the stress regime.
JOURNAL OF STRUCTURAL GEOLOGY
(2023)
Article
Geochemistry & Geophysics
Michel Cathelineau, Marie-Christine Boiron, Jean-Louis Grimaud, Sylvain Favier, Yoram Teitler, Fabrice Golfier
Summary: Silicification in pseudo-karsts developed on peridotite in New Caledonia was studied using delta O-18 and delta Si-30 pairs on quartz cements. The results showed that the development of pseudo-karsts and cementation occurred after the supergene alteration and lateritic weathering of peridotites in the Eocene. River incision resulted in the formation of a pseudo-karst system with dissolution pipes along pre-existing faults. Quartz and pimelite precipitation was driven by evaporation during drier climatic episodes.
Article
Computer Science, Interdisciplinary Applications
Ever-Dennys Coarita-Tintaya, Fabrice Golfier, Dragan Grgic, Mountaka Souley, Long Cheng
Summary: This study focuses on the underground storage of hydrogen in salt caverns. A novel model is proposed to describe the hydromechanical behavior, considering short- and long-term mechanical behavior. The model is applied to two vertical salt caverns with different depths, and results show that the stability problem is more concerning for deeper caverns. However, gas diffusion is the main transport mechanism, and the extent of gas leakage is not significantly increased. These findings suggest that the use of salt caverns for green hydrogen storage should not affect stability or promote hydrogen loss.
COMPUTERS AND GEOTECHNICS
(2023)
Article
Energy & Fuels
Ahmad Mostafa, Luc Scholtes, Fabrice Golfier
Summary: We propose a 3D model that combines a discrete element model and a pore network model to describe diffusion mechanisms and associated adsorption-induced deformations in coal matrix. The model considers Knudsen diffusion, surface diffusion, and adsorption-desorption at the pore-solid interface. It is hydro-mechanically coupled, taking into account changes in pore pressure and deformation of the solid skeleton and pore space. The model is validated against analytical solutions and compared with experimental data, demonstrating its accuracy in describing sorption-induced deformation and contributing to the understanding of coalbed methane storage and transport processes.
Article
Engineering, Multidisciplinary
Farid Laouafa, Jianwei Guo, Michel Quintard
Summary: This study presents an approach to describe the dissolution process of evaporite rocks and its impact on geotechnical engineering. It explores the geological and engineering implications of the dissolution process and presents a method to model it. Although the method has a broad range of application, this study focuses on saline and gypsum rocks. The second part of the study analyzes the geotechnical consequences of gypsum dissolution, including its impact on soil dams, slopes, and pillars.
JOURNAL OF ZHEJIANG UNIVERSITY-SCIENCE A
(2023)
