Journal articles: 'Pore-scale simulations'

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Maier, Robert S., D. M. Kroll, H. Ted Davis, and Robert S. Bernard. "Pore-Scale Flow and Dispersion." International Journal of Modern Physics C 09, no. 08 (December 1998): 1523–33. http://dx.doi.org/10.1142/s0129183198001370.

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Pore-scale simulations of fluid flow and mass transport offer a direct means to reproduce and verify laboratory measurements in porous media. We have compared lattice-Boltzmann (LB) flow simulations with the results of NMR spectroscopy from several published flow experiments. Although there is qualitative agreement, the differences highlight numerical and experimental issues, including the rate of spatial convergence, and the effect of signal attenuation near solid surfaces. For the range of Reynolds numbers relevant to groundwater investigations, the normalized distribution of fluid velocities in random sphere packings collapse onto a single curve, when scaled with the mean velocity. Random-walk particle simulations in the LB flow fields have also been performed to study the dispersion of an ideal tracer. These simulations show an encouraging degree of quantitative agreement with published NMR measurements of hydrodynamic and molecular dispersion, and the simulated dispersivities scale in accordance with published experimental and theoretical results for the Peclet number rangek 1 ≤ Pe ≤1500. Experience with the random-walk method indicates that the mean properties of conservative transport, such as the first and second moments of the particle displacement distribution, can be estimated with a number of particles comparable to the spatial discretization of the velocity field. However, the accurate approximation of local concentrations, at a resolution comparable to that of the velocity field, requires significantly more particles. This requirement presents a significant computational burden and hence a numerical challenge to the simulation of non-conservative transport processes.

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Frouté, Laura, Yuhang Wang, Jesse McKinzie, Saman Aryana, and Anthony Kovscek. "Transport Simulations on Scanning Transmission Electron Microscope Images of Nanoporous Shale." Energies 13, no. 24 (December 17, 2020): 6665. http://dx.doi.org/10.3390/en13246665.

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Digital rock physics is an often-mentioned approach to better understand and model transport processes occurring in tight nanoporous media including the organic and inorganic matrix of shale. Workflows integrating nanometer-scale image data and pore-scale simulations are relatively undeveloped, however. In this paper, a workflow is demonstrated progressing from sample acquisition and preparation, to image acquisition by Scanning Transmission Electron Microscopy (STEM) tomography, to volumetric reconstruction to pore-space discretization to numerical simulation of pore-scale transport. Key aspects of the workflow include (i) STEM tomography in high angle annular dark field (HAADF) mode to image three-dimensional pore networks in µm-sized samples with nanometer resolution and (ii) lattice Boltzmann method (LBM) simulations to describe gas flow in slip, transitional, and Knudsen diffusion regimes. It is shown that STEM tomography with nanoscale resolution yields excellent representation of the size and connectivity of organic nanopore networks. In turn, pore-scale simulation on such networks contributes to understanding of transport and storage properties of nanoporous shale. Interestingly, flow occurs primarily along pore networks with pore dimensions on the order of tens of nanometers. Smaller pores do not form percolating pathways in the sample volume imaged. Apparent gas permeability in the range of 10−19 to 10−16 m2 is computed.

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Soulaine, Cyprien, Sophie Roman, Anthony Kovscek, and Hamdi A. Tchelepi. "Mineral dissolution and wormholing from a pore-scale perspective." Journal of Fluid Mechanics 827 (August 24, 2017): 457–83. http://dx.doi.org/10.1017/jfm.2017.499.

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A micro-continuum approach is proposed to simulate the dissolution of solid minerals at the pore scale under single-phase flow conditions. The approach employs a Darcy–Brinkman–Stokes formulation and locally averaged conservation laws combined with immersed boundary conditions for the chemical reaction at the solid surface. The methodology compares well with the arbitrary-Lagrangian–Eulerian technique. The simulation framework is validated using an experimental microfluidic device to image the dissolution of a single calcite crystal. The evolution of the calcite crystal during the acidizing process is analysed and related to the flow conditions. Macroscopic laws for the dissolution rate are proposed by upscaling the pore-scale simulations. Finally, the emergence of wormholes during the injection of acid in a two-dimensional domain of calcite grains is discussed based on pore-scale simulations.

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Langaas, Kåre, and Svante Nilsson. "Pore-scale simulations of disproportionate permeability reducing gels." Journal of Petroleum Science and Engineering 25, no. 3-4 (March 2000): 167–86. http://dx.doi.org/10.1016/s0920-4105(00)00011-5.

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Blunt, Martin, and Peter King. "Macroscopic parameters from simulations of pore scale flow." Physical Review A 42, no. 8 (October 1, 1990): 4780–87. http://dx.doi.org/10.1103/physreva.42.4780.

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Ahmed, Shakil, Tobias M. Müller, Mahyar Madadi, and Victor Calo. "Drained pore modulus and Biot coefficient from pore-scale digital rock simulations." International Journal of Rock Mechanics and Mining Sciences 114 (February 2019): 62–70. http://dx.doi.org/10.1016/j.ijrmms.2018.12.019.

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Posenato Garcia, Artur, and Zoya Heidari. "Numerical modeling of multifrequency complex dielectric permittivity dispersion of sedimentary rocks." GEOPHYSICS 86, no. 4 (June 10, 2021): MR179—MR190. http://dx.doi.org/10.1190/geo2020-0444.1.

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The dielectric response of rocks results from electric double layer (EDL), Maxwell-Wagner (MW), and dipolar polarizations. The EDL polarization is a function of solid-fluid interfaces, pore water, and pore geometry. MW and dipolar polarizations are functions of charge accumulation at the interface between materials with contrasting impedances and the volumetric concentration of its constituents, respectively. However, conventional interpretation of dielectric measurements only accounts for volumetric concentrations of rock components and their permittivities, not interfacial properties such as wettability. Numerical simulations of the dielectric response of rocks provide an ideal framework to quantify the impact of wettability and water saturation ([Formula: see text]) on electric polarization mechanisms. Therefore, we have developed a numerical simulation method to compute pore-scale dielectric dispersion effects in the interval from 100 Hz to 1 GHz including effects of pore structure, [Formula: see text], and wettability on permittivity measurements. We solve the quasielectrostatic Maxwell’s equations in 3D pore-scale rock images in the frequency domain using the finite-volume method. Then, we verify simulation results for a spherical material by comparing to the corresponding analytical solution. Additionally, we introduce a technique to incorporate [Formula: see text]-polarization to the simulation and we verify it by comparing pore-scale simulation results to experimental measurements on a Berea sandstone sample. Finally, we quantify the impact of [Formula: see text] and wettability on broadband dielectric permittivity measurements through pore-scale numerical simulations. The numerical simulation results show that mixed-wet rocks are more sensitive than water-wet rocks to changes in [Formula: see text] at sub-MHz frequencies. Furthermore, permittivity and conductivity of mixed-wet rocks have weaker and stronger dispersive behaviors, respectively, when compared to water-wet rocks. Finally, numerical simulations indicate that conductivity of mixed-wet rocks can vary by three orders of magnitude from 100 Hz to 1 GHz. Therefore, Archie’s equation calibrated at the wrong frequency could lead to water saturation errors of up to 73%.

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Morris, J. P., Y. Zhu, and P. J. Fox. "Parallel simulations of pore-scale flow through porous media." Computers and Geotechnics 25, no. 4 (December 1999): 227–46. http://dx.doi.org/10.1016/s0266-352x(99)00026-9.

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Zhang, Haiyang, Hamid Abderrahmane, Mohammed Al Kobaisi, and Mohamed Sassi. "Pore-Scale Characterization and PNM Simulations of Multiphase Flow in Carbonate Rocks." Energies 14, no. 21 (October 21, 2021): 6897. http://dx.doi.org/10.3390/en14216897.

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This paper deals with pore-scale two-phase flow simulations in carbonate rock using the pore network method (PNM). This method was used to determine the rock and flow properties of three different rock samples, such as porosity, capillary pressure, absolute permeabilities, and oil–water relative permeabilities. The pore network method was further used to determine the properties of rock matrices, such as pore size distribution, topological structure, aspect ratio, pore throat shape factor, connected porosity, total porosity, and absolute permeability. The predicted simulation for the network-connected porosity, total porosity, and absolute permeability agree well with those measured experimentally when the image resolution is appropriate to resolve the relevant pore and throat sizes. This paper also explores the effect of the wettability and fraction of oil-wet pores on relative permeabilities, both in uniform and mixed wet systems.

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Ramstad, Thomas, Anders Kristoffersen, and Einar Ebeltoft. "Uncertainty span for relative permeability and capillary pressure by varying wettability and spatial flow directions utilizing pore scale modelling." E3S Web of Conferences 146 (2020): 01002. http://dx.doi.org/10.1051/e3sconf/202014601002.

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Relative permeability and capillary pressure are key properties within special core analysis and provide crucial information for full field simulation models. These properties are traditionally obtained by multi-phase flow experiments, however pore scale modelling has during the last decade shown to add significant information as well as being less time-consuming to obtain. Pore scale modelling has been performed by using the lattice-Boltzmann method directly on the digital rock models obtained by high resolution micro-CT images on end-trims available when plugs are prepared for traditional SCAL-experiments. These digital rock models map the pore-structure and are used for direct simulations of two-phase flow to relative permeability curves. Various types of wettability conditions are introduced by a wettability map that opens for local variations of wettability on the pore space at the pore level. Focus have been to distribute realistic wettabilities representative for the Norwegian Continental Shelf which is experiencing weakly-wetting conditions and no strong preference neither to water nor oil. Spanning a realistic wettability-map and enabling flow in three directions, a large amount of relative permeability curves is obtained. The resulting relative permeabilities hence estimate the uncertainty of the obtained flow properties on a spatial but specific pore structure with varying, but realistic wettabilities. The obtained relative permeability curves are compared with results obtained by traditional SCAL-analysis on similar core material from the Norwegian Continental Shelf. The results are also compared with the SCAL-model provided for full field simulations for the same field. The results from the pore scale simulations are within the uncertainty span of the SCAL models, mimic the traditional SCAL-experiments and shows that pore scale modelling can provide a time- and cost-effective tool to provide SCAL-models with uncertainties.

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Bakke, Stig, and Pål-Eric Øren. "3-D Pore-Scale Modelling of Sandstones and Flow Simulations in the Pore Networks." SPE Journal 2, no. 02 (June 1, 1997): 136–49. http://dx.doi.org/10.2118/35479-pa.

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12

Hou, Yusong, Jianguo Jiang, and Jichun Wu. "Anomalous Solute Transport in Cemented Porous Media: Pore-scale Simulations." Soil Science Society of America Journal 82, no. 1 (January 2018): 10–19. http://dx.doi.org/10.2136/sssaj2017.04.0125.

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Cetinbas, Firat C., Rajesh K. Ahluwalia, Andrew D. Shum, and Iryna V. Zenyuk. "Direct Simulations of Pore-Scale Water Transport through Diffusion Media." Journal of The Electrochemical Society 166, no. 7 (2019): F3001—F3008. http://dx.doi.org/10.1149/2.0011907jes.

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Di Palma, Paolo Roberto, Andrea Parmigiani, Christian Huber, Nicolas Guyennon, and Paolo Viotti. "Pore-scale simulations of concentration tails in heterogeneous porous media." Journal of Contaminant Hydrology 205 (October 2017): 47–56. http://dx.doi.org/10.1016/j.jconhyd.2017.08.003.

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Triadis, Dimetre, Fei Jiang, and Diogo Bolster. "Anomalous Dispersion in Pore-Scale Simulations of Two-Phase Flow." Transport in Porous Media 126, no. 2 (October 4, 2018): 337–53. http://dx.doi.org/10.1007/s11242-018-1155-6.

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Frank, Florian, Chen Liu, Faruk O. Alpak, Steffen Berg, and Beatrice Riviere. "Direct Numerical Simulation of Flow on Pore-Scale Images Using the Phase-Field Method." SPE Journal 23, no. 05 (June 11, 2018): 1833–50. http://dx.doi.org/10.2118/182607-pa.

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Summary Advances in pore-scale imaging, increasing availability of computational resources, and developments in numerical algorithms have started rendering direct pore-scale numerical simulations of multiphase flow on pore structures feasible. In this paper, we describe a two-phase-flow simulator that solves mass- and momentum-balance equations valid at the pore scale (i.e., at scales where the Darcy velocity homogenization starts to break down). The simulator is one of the key components of a molecule-to-reservoir truly multiscale modeling work flow. A Helmholtz free-energy-driven, thermodynamically based diffuse-interface/phase-field method is used for the effective simulation of numerous advecting interfaces, while honoring the interfacial tension (IFT). The advective Cahn-Hilliard (CH) (mass-balance, energy dissipation) and Navier-Stokes (NS) (momentum-balance, incompressibility) equations are coupled to each other within the phase-field framework. Wettability on rock/fluid interfaces is accounted for by means of an energy-penalty-based wetting (contact-angle) boundary condition. Individual balance equations are discretized by use of a flexible discontinuous Galerkin (DG) method. The discretization of the mass-balance equation is semi-implicit in time using a convex/concave splitting of the energy term. The momentum-balance equation is split from the incompressibility constraint by a projection method and linearized with a Picard splitting. Mass- and momentum-balance equations are coupled to each other by means of operator splitting, and are solved sequentially. We discuss the mathematical model and its DG discretization, and briefly introduce nonlinear and linear solution strategies. Numerical-validation tests show optimal convergence rates for the DG discretization, indicating the correctness of the numerical scheme and its implementation. Physical-validation tests demonstrate the consistency of the phase distribution and velocity fields simulated within our framework. Finally, two-phase-flow simulations on two real pore-scale images demonstrate the usefulness of the pore-scale simulator. The direct pore-scale numerical-simulation methodology rigorously considers the flow physics by directly acting on pore-scale images of rocks without remeshing. The proposed method is accurate, numerically robust, and exhibits the potential for tackling realistic problems.

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Lv, Mingming, and Shuzhong Wang. "Pore-scale modeling of a water/oil two-phase flow in hot water flooding for enhanced oil recovery." RSC Advances 5, no. 104 (2015): 85373–82. http://dx.doi.org/10.1039/c5ra12136a.

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Chi, Lu, and Zoya Heidari. "Diffusional coupling between microfractures and pore structure and its impact on nuclear magnetic resonance measurements in multiple-porosity systems." GEOPHYSICS 80, no. 1 (January 1, 2015): D31—D42. http://dx.doi.org/10.1190/geo2013-0467.1.

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Nuclear magnetic resonance (NMR) relaxation time measurements, although among the most accurate methods to estimate formation porosity, have been considered conventionally as insensitive to the presence of microfractures. Hence, the NMR responses in multiple-porosity systems, which may contain intergranular pores, microfractures, or channel-like inclusions, have not yet been thoroughly investigated. NMR pore-scale simulations using a random-walk algorithm enabled us to quantify the impact of microfractures/channels on NMR measurements and to propose a new concept of fracture-pore diffusional coupling in such heterogeneous systems. We randomly distributed and oriented microfractures (or channels) in 3D pore-scale images of different rock matrices. We then quantified the sensitivity of NMR [Formula: see text] (spin-spin relaxation time) distribution to the presence of microfractures (or channels) and compared the pore-scale simulation results against a previously published experimental study. The pore-scale simulation results from synthetic rock samples revealed that NMR [Formula: see text] distribution can be influenced not only by the pore-size distribution but also significantly by fracture-pore diffusional coupling. The intergranular pore size can be underestimated by up to 29%, and the volume fraction of intergranular pores can be underestimated by more than 10%, if the impact of diffusional coupling was not taken into account in interpretation of NMR measurements. Furthermore, we developed a simplified 1D analytical model for fracture-pore diffusional coupling. The analytical solutions of the 1D model were in agreement with the simulation results in the synthetic rock samples, which further demonstrated the existence of fracture-pore coupling in multiple-porosity systems. The developed 1D model enabled real-time evaluation of diffusional coupling effect in the presence of microfractures and complex pore-size distribution. The results were promising for future applications of NMR relaxometry for the assessment of microfracture content, when combined with other conventional well logs.

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Li, Jun, Minh Tuan Ho, Matthew K. Borg, Chunpei Cai, Zhi-Hui Li, and Yonghao Zhang. "Pore-scale gas flow simulations by the DSBGK and DVM methods." Computers & Fluids 226 (August 2021): 105017. http://dx.doi.org/10.1016/j.compfluid.2021.105017.

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Sun, Yongyang, Boris Gurevich, Stanislav Glubokovskikh, Maxim Lebedev, Andrew Squelch, Christoph Arns, and Junxin Guo. "A solid/fluid substitution scheme constrained by pore-scale numerical simulations." Geophysical Journal International 220, no. 3 (December 6, 2019): 1804–12. http://dx.doi.org/10.1093/gji/ggz556.

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SUMMARY Estimating the effects of pore filling material on the elastic moduli or velocities of porous and fractured rocks attracts widespread attention. This effect can be modelled by a recently proposed triple-porosity scheme, which quantifies this effect from parameters of the pressure dependency of the elastic properties of the dry rock. This scheme divides total porosity into three parts: compliant, intermediate and stiff. Each type of pores is assumed to be spheroidal and characterized by a single aspect ratio. However, the implementation of this model requires the asymptotic values of the elastic moduli at much higher pressures where only non-closable pores remain open. Those pressures are beyond the capacity of most rock physics laboratories and can even crush typical sandstone samples. Experimental data at such pressures are usually unavailable. To address this issue, we introduce pore-scale numerical simulations in conjunction with effective medium theories (EMT) to compute the asymptotic values directly from the microtomographic images. This workflow reduces the uncertainty of model predictions on the geometric information of stiff pores and strengthens the predictive power and usefulness of the model without any adjustable parameters. Applying this to a Bentheim sandstone fully filled with liquid and solid octadecane gives a reasonable match between model predictions and laboratory measurements. This success verifies the accuracy and applicability of the model and indicates its potential in further exploitation and characterization of heavy oil reservoirs and other similar reservoirs.

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Tartakovsky, Alexandre M., Andy L. Ward, and Paul Meakin. "Pore-scale simulations of drainage of heterogeneous and anisotropic porous media." Physics of Fluids 19, no. 10 (October 2007): 103301. http://dx.doi.org/10.1063/1.2772529.

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Oostrom, M., Y. Mehmani, P. Romero-Gomez, Y. Tang, H. Liu, H. Yoon, Q. Kang, et al. "Pore-scale and continuum simulations of solute transport micromodel benchmark experiments." Computational Geosciences 20, no. 4 (June 18, 2014): 857–79. http://dx.doi.org/10.1007/s10596-014-9424-0.

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Huang, Jingwei, Feng Xiao, Hu Dong, and Xiaolong Yin. "Diffusion tortuosity in complex porous media from pore-scale numerical simulations." Computers & Fluids 183 (April 2019): 66–74. http://dx.doi.org/10.1016/j.compfluid.2019.03.018.

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Gharedaghloo, Behrad, Steven J. Berg, and Edward A. Sudicky. "Water freezing characteristics in granular soils: Insights from pore-scale simulations." Advances in Water Resources 143 (September 2020): 103681. http://dx.doi.org/10.1016/j.advwatres.2020.103681.

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Jung, Seongyeop, Mayank Sabharwal, Alex Jarauta, Fei Wei, Murray Gingras, Jeff Gostick, and Marc Secanell. "Estimation of Relative Transport Properties in Porous Transport Layers Using Pore-Scale and Pore-Network Simulations." Journal of The Electrochemical Society 168, no. 6 (June 1, 2021): 064501. http://dx.doi.org/10.1149/1945-7111/ac03f2.

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Akanni, Olatokunbo O., Hisham A. Nasr-El-Din, and Deepak Gusain. "A Computational Navier-Stokes Fluid-Dynamics-Simulation Study of Wormhole Propagation in Carbonate-Matrix Acidizing and Analysis of Factors Influencing the Dissolution Process." SPE Journal 22, no. 06 (October 4, 2017): 2049–66. http://dx.doi.org/10.2118/187962-pa.

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Summary This study demonstrates the application of an alternative numerical-simulation approach to effectively describe the flow field in a two-scale carbonate-matrix-acidizing model. The modified model accurately captures the dissolution regimes that occur during carbonate-matrix acidizing. Sensitivity tests were performed on the model to compare the output with experimental observations and previous two-scale models in the literature. A nonlinear reaction-kinetics model for alternative acidizing fluids is also introduced. In this work, the fluid-field flow is described by the Navier-Stokes momentum approach instead of Darcy's law or the Darcy-Brinkman approach used in previous two-scale models. The present model is implemented by means of a commercial computational-fluid-dynamics (CFD) package to solve the momentum, mass-conservation, and species-transport equations in Darcy scale. The software is combined with functions and routines written in the C programming language to solve the porosity-evolution equation, update the pore-scale parameters at every timestep in the simulation, and couple the Darcy and pore scales. The output from the model simulations is consistent with experimental observations, and the results from the sensitivity tests performed are in agreement with previously developed two-scale models with the Darcy approach. The simulations at very-high injection rates with this model require less computational time than models developed with the Darcy approach. The results from this model show that the optimal injection rate obtained in laboratory coreflood experiments cannot be directly translated for field applications because of the effect of flow geometry and medium dimensions on the wormholing process. The influence of the reaction order on the optimal injection rate and pore volumes (PVs) of acid required to reach breakthrough is also demonstrated by simulations run to test the applicability of the model for acids with nonlinear kinetics in reaction with calcite. The new model is computationally less expensive than previous models with the Darcy-Brinkman approach, and simulations at very-high injection rates with this model require less computational time than Darcy-based models. Furthermore, the possibility of extending the two-scale model for acid/calcite reactions with more-complex chemistry is shown by means of the introduction of nonlinear kinetics in the reaction equation.

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Simeski, Filip, Arnout M. P. Boelens, and Matthias Ihme. "Modeling Adsorption in Silica Pores via Minkowski Functionals and Molecular Electrostatic Moments." Energies 13, no. 22 (November 16, 2020): 5976. http://dx.doi.org/10.3390/en13225976.

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Capillary condensation phenomena are important in various technological and environmental processes. Using molecular simulations, we study the confined phase behavior of fluids relevant to carbon sequestration and shale gas production. As a first step toward translating information from the molecular to the pore scale, we express the thermodynamic potential and excess adsorption of methane, nitrogen, carbon dioxide, and water in terms of the pore’s geometric properties via Minkowski functionals. This mathematical reconstruction agrees very well with molecular simulations data. Our results show that the fluid molecular electrostatic moments are positively correlated with the number of adsorption layers in the pore. Moreover, stronger electrostatic moments lead to adsorption at lower pressures. These findings can be applied to improve pore-scale thermodynamic and transport models.

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Shiri, Yousef, and Alireza Shiri. "NUMERICAL INVESTIGATION OF FLUID FLOW INSTABILITIES IN PORE-SCALE WITH HETEROGENEITIES IN PERMEABILITY AND WETTABILITY." Rudarsko-geološko-naftni zbornik 36, no. 3 (2021): 143–56. http://dx.doi.org/10.17794/rgn.2021.3.10.

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Quadrant geometry with permeability and wettability contrast occurs in different events, such as faults, wellbore damage, and perforation zones. In these events, understanding the dynamics of immiscible fluid displacement is vital for enhanced oil recovery. Fluid flow studies showed that viscous fingering occurs due to viscous instabilities that depend on the mobility of fluids and capillary forces. Besides, the porous domain heterogeneity is also effective on the formation of fingering. So, the purpose of the current research is to numerically investigate the effect of heterogeneity in wettability and permeability, and flow properties in Saffmann-Taylor instabilities. Numerical simulations with different flow rates in the permeability contrast model illustrated the nodal crossflow, growth of viscous fingering in the nodal part, and bypass flow in the second zone. In the wettability contrast model, a capillary fingering pattern is observed and fluid patches are isolated because of capillary force and the end effects are trapped within the quadrant. Moreover, the consequences of wettability on apparent wettability that alters the fluid-front pattern and displacement efficiency are shown.

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Liu, Haihu, Albert J. Valocchi, Qinjun Kang, and Charles Werth. "Pore-Scale Simulations of Gas Displacing Liquid in a Homogeneous Pore Network Using the Lattice Boltzmann Method." Transport in Porous Media 99, no. 3 (July 24, 2013): 555–80. http://dx.doi.org/10.1007/s11242-013-0200-8.

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Poonoosamy, Jenna, Renchao Lu, Mara Iris Lönartz, Guido Deissmann, Dirk Bosbach, and Yuankai Yang. "A Lab on a Chip Experiment for Upscaling Diffusivity of Evolving Porous Media." Energies 15, no. 6 (March 16, 2022): 2160. http://dx.doi.org/10.3390/en15062160.

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Reactive transport modelling is a powerful tool to assess subsurface evolution in various energy-related applications. Upscaling, i.e., accounting for pore scale heterogeneities into larger scale analyses, remains one of the biggest challenges of reactive transport modelling. Pore scale simulations capturing the evolutions of the porous media over a wide range of Peclet and Damköhler number in combination with machine learning are foreseen as an efficient methodology for upscaling. However, the accuracy of these pore scale models needs to be tested against experiments. In this work, we developed a lab on a chip experiment with a novel micromodel design combined with operando confocal Raman spectroscopy, to monitor the evolution of porous media undergoing coupled mineral dissolution and precipitation processes due to diffusive reactive fluxes. The 3D-imaging of the porous media combined with pore scale modelling enabled the derivation of upscaled transport parameters. The chemical reaction tested involved the replacement of celestine by strontianite, whereby a net porosity increase is expected because of the smaller molar volume of strontianite. However, under our experimental conditions, the accessible porosity and consequently diffusivity decreased. We propose a transferability of the concepts behind the Verma and Pruess relationship to be applied to also describe changes of diffusivity for evolving porous media. Our results highlight the importance of calibrating pore scale models with quantitative experiments prior to simulations over a wide range of Peclet and Damköhler numbers of which results can be further used for the derivation of upscaled parameters.

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Zhao, Jianlin, Feifei Qin, Dominique Derome, and Jan Carmeliet. "Drying of porous materials at pore scale using lattice Boltzmann and pore network models." Journal of Physics: Conference Series 2069, no. 1 (November 1, 2021): 012001. http://dx.doi.org/10.1088/1742-6596/2069/1/012001.

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Abstract Drying at macroscale shows a first drying period with constant drying rate followed by second drying period showing a receding moisture front, phenomena that can be tailored upon need. In order to study the drying of materials, we present a new hybrid computational method, where the dynamics of the liquid-vapor interfaces is modelled by lattice Boltzmann modelling (LBM) in the two-phase pores, while the single-phase flow in the pores filled solely by vapor or liquid is solved by pore network model (PNM). This hybrid method is validated by comparison with reference full LBM simulations. The hybrid method combines the advantages of both methods, i.e., accuracy and computational efficiency. LBM and the hybrid LBM-PNM method are used to study the drying of porous media at pore scale. We analyse two different pore structures and consider how capillary pumping effect can maximize the drying rate. Finally, we indicate how optimized drying rates are relevant when designing facade or pavement solutions that can mitigate higher surface temperatures in urban environments by evaporative cooling.

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HaghaniGalougahi, MohammadJavad. "Pore-Scale Simulation of Calcite Matrix Acidizing with Hydrochloric Acid." SPE Journal 26, no. 02 (February 12, 2021): 653–66. http://dx.doi.org/10.2118/205343-pa.

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Summary A continuum hydrodynamic model with immersed solid/fluid interface is developed for simulating calcite dissolution by hydrochloric acid (HCl) at the pore scale, and is most accurate for a mass-transfer-controlled dissolution regime under laminar flow conditions. The model uses averaged Navier-Stokes equations to model momentum transfer in porous media and adopts a theoretically developed mass-transfer formulation with assumptions. The model includes no fitting parameter and is validated using experimental results. The findings of previous research and existing models are briefly discussed and their shortcomings and advantages are elucidated. The present model is used in some pore-scale simulations on hypothetical but realistic cases, investigating the evolution of Darcy-scale permeability. Darcy-scale permeability exhibits totally different functionality of porosity in different dissolution regimes.

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Khirevich, Siarhei, Alexandra Höltzel, and Ulrich Tallarek. "Validation of Pore-Scale Simulations of Hydrodynamic Dispersion in Random Sphere Packings." Communications in Computational Physics 13, no. 3 (March 2013): 801–22. http://dx.doi.org/10.4208/cicp.361011.260112s.

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AbstractWe employ the lattice Boltzmann method and random walk particle tracking to simulate the time evolution of hydrodynamic dispersion in bulk, random, monodisperse, hard-sphere packings with bed porosities (interparticle void volume fractions) between the random-close and the random-loose packing limit. Using Jodrey-Tory and Monte Carlo-based algorithms and a systematic variation of the packing protocols we generate a portfolio of packings, whose microstructures differ in their degree of heterogeneity (DoH). Because the DoH quantifies the heterogeneity of the void space distribution in a packing, the asymptotic longitudinal dispersion coefficient calculated for the packings increases with the packings’ DoH. We investigate the influence of packing length (up to 150 dp, where dp is the sphere diameter) and grid resolution (up to 90 nodes per dp) on the simulated hydrodynamic dispersion coefficient, and demonstrate that the chosen packing dimensions of 10 dpx 10 dpx 70 dp and the employed grid resolution of 60 nodes per dp are sufficient to observe asymptotic behavior of the dispersion coefficient and to minimize finite size effects. Asymptotic values of the dispersion coefficients calculated for the generated packings are compared with simulated as well as experimental data from the literature and yield good to excellent agreement.

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Bradford, Scott A., Saeed Torkzaban, and Andreas Wiegmann. "Pore-Scale Simulations to Determine the Applied Hydrodynamic Torque and Colloid Immobilization." Vadose Zone Journal 10, no. 1 (February 2011): 252–61. http://dx.doi.org/10.2136/vzj2010.0064.

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Bastian, Peter, Christian Engwer, Jorrit Fahlke, and Olaf Ippisch. "An Unfitted Discontinuous Galerkin method for pore-scale simulations of solute transport." Mathematics and Computers in Simulation 81, no. 10 (June 2011): 2051–61. http://dx.doi.org/10.1016/j.matcom.2010.12.024.

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Ho, Minh Tuan, Lianhua Zhu, Lei Wu, Peng Wang, Zhaoli Guo, Jingsheng Ma, and Yonghao Zhang. "Pore-scale simulations of rarefied gas flows in ultra-tight porous media." Fuel 249 (August 2019): 341–51. http://dx.doi.org/10.1016/j.fuel.2019.03.106.

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Gebäck, Tobias, and Alexei Heintz. "A Pore Scale Model for Osmotic Flow: Homogenization and Lattice Boltzmann Simulations." Transport in Porous Media 126, no. 1 (November 28, 2017): 161–76. http://dx.doi.org/10.1007/s11242-017-0975-0.

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Landa-Marbán, David, Na Liu, Iuliu S. Pop, Kundan Kumar, Per Pettersson, Gunhild Bødtker, Tormod Skauge, and Florin A. Radu. "A Pore-Scale Model for Permeable Biofilm: Numerical Simulations and Laboratory Experiments." Transport in Porous Media 127, no. 3 (December 8, 2018): 643–60. http://dx.doi.org/10.1007/s11242-018-1218-8.

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Zacharoudiou, Ioannis, Emily M. Chapman, Edo S. Boek, and John P. Crawshaw. "Pore-filling events in single junction micro-models with corresponding lattice Boltzmann simulations." Journal of Fluid Mechanics 824 (July 6, 2017): 550–73. http://dx.doi.org/10.1017/jfm.2017.363.

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The aim of this work is to better understand fluid displacement mechanisms at the pore scale in relation to capillary-filling rules. Using specifically designed micro-models we investigate the role of pore body shape on fluid displacement during drainage and imbibition via quasi-static and spontaneous experiments at ambient conditions. The experimental results are directly compared to lattice Boltzmann (LB) simulations. The critical pore-filling pressures for the quasi-static experiments agree well with those predicted by the Young–Laplace equation and follow the expected filling events. However, the spontaneous imbibition experimental results differ from those predicted by the Young–Laplace equation; instead of entering the narrowest available downstream throat the wetting phase enters an adjacent throat first. Thus, pore geometry plays a vital role as it becomes the main deciding factor in the displacement pathways. Current pore network models used to predict displacement at the field scale may need to be revised as they currently use the filling rules proposed by Lenormandet al.(J. Fluid Mech., vol. 135, 1983, pp. 337–353). Energy balance arguments are particularly insightful in understanding the aspects affecting capillary-filling rules. Moreover, simulation results on spontaneous imbibition, in excellent agreement with theoretical predictions, reveal that the capillary number itself is not sufficient to characterise the two phase flow. The Ohnesorge number, which gives the relative importance of viscous forces over inertial and capillary forces, is required to fully describe the fluid flow, along with the viscosity ratio.

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Xiong, Qing Rong, and Andrey P. Jivkov. "Effective Properties of Pore Network Elements Derived from Reactive Transport in Individual Pores." Defect and Diffusion Forum 369 (July 2016): 125–30. http://dx.doi.org/10.4028/www.scientific.net/ddf.369.125.

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Adsorption of solutes in porous media is typically represented as an equilibrium process. The adsorption process is determined by the concentration of the solute in the fluid next to the solid grain in individual pores. The concentration near the solid surface is different from the average concentration within the pore due to the development of concentration gradients within the pore space. Simulations with pore network models are usually based on the average concentration in individual pore throats. To advance the realism of such models, we develop a relationship between pore-scale adsorption coefficients and corresponding coarse-grained adsorption parameters. A numerical scheme is proposed: firstly the solute transport within a single pore is simulated undergoing equilibrium adsorption at the pore wall, and secondly flux-averaged concentration breakthrough curves are obtained. By fitting the breakthrough curves, the coarse-grained adsorption parameters are determined from the pore-scale hydraulic and adsorption parameters.

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Claes, Steven, and Hans Janssen. "Towards stochastic generation of 3D pore network models of building materials." MATEC Web of Conferences 282 (2019): 02022. http://dx.doi.org/10.1051/matecconf/201928202022.

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Pore-scale-based prediction of the hygric properties of porous building materials is on the rise as an attractive alternative for the current experimental procedure. Pore-scale simulations do however require a complete pore network model for the building material. With the currently available characterization techniques, such complete pore network model cannot be established, instead typically fragmented direct (pores sizes, shapes, positions, connections, …) or indirect (pore size distribution, pore surface area, …) information is obtained. The aim of this paper is to present stochastic pore network generation, wherein the fragmented pore structure information is used to generate a complete pore network for the building material involved. The novelty of our approach lies in the generation of a PNM by matching the distributions of direct parameters as well as indirect parameters of the input data and the model. Additionally, the position of the pores are no longer bound to a cubic lattice. This workflow will first be tested on a single scale material with a relatively straightforward pore space such as sintered glass. Finally, the hygric properties of the generated network will be compared to the measured properties of the real material as a validation step.

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Sufian, Adnan, Adrian R. Russell, Andrew J. Whittle, and Mohammad Saadatfar. "Pore Characterisation in Monodisperse Granular Assemblies." Applied Mechanics and Materials 846 (July 2016): 583–88. http://dx.doi.org/10.4028/www.scientific.net/amm.846.583.

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The micro-scale geometric arrangement of pores was quantitatively characterised for monodisperse granular assemblies, particularly in relation to pore volume distribution and pore orientation characteristics. Using physical experiments and numerical simulations, the pore volume distribution was uniquely described by the analytical k-gamma distribution function [1-2]. A pore orientation tensor was defined to determine the preferred orientation of individual pores. This was subsequently used to define a global orientation tensor that revealed an isotropic pore network for the monodisperse granular assemblies considered in this study. The global orientation tensor was analytically linked to the parameters defining the pore volume distribution.

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Vorhauer, Nicole, Haashir Altaf, Evangelos Tsotsas, and Tanja Vidakovic-Koch. "Pore Network Simulation of Gas-Liquid Distribution in Porous Transport Layers." Processes 7, no. 9 (August 23, 2019): 558. http://dx.doi.org/10.3390/pr7090558.

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Pore network models are powerful tools to simulate invasion and transport processes in porous media. They are widely applied in the field of geology and the drying of porous media, and have recently also received attention in fuel cell applications. Here we want to describe and discuss how pore network models can be used as a prescriptive tool for future water electrolysis technologies. In detail, we suggest in a first approach a pore network model of drainage for the prediction of the oxygen and water invasion process inside the anodic porous transport layer at high current densities. We neglect wetting liquid films and show that, in this situation, numerous isolated liquid clusters develop when oxygen invades the pore network. In the simulation with narrow pore size distribution, the volumetric ratio of the liquid transporting clusters connected between the catalyst layer and the water supply channel is only around 3% of the total liquid volume contained inside the pore network at the moment when the water supply route through the pore network is interrupted; whereas around 40% of the volume is occupied by the continuous gas phase. The majority of liquid clusters are disconnected from the water supply routes through the pore network if liquid films along the walls of the porous transport layer are disregarded. Moreover, these clusters hinder the countercurrent oxygen transport. A higher ratio of liquid transporting clusters was obtained for greater pore size distribution. Based on the results of pore network drainage simulations, we sketch a new route for the extraction of transport parameters from Monte Carlo simulations, incorporating pore scale flow computations and Darcy flow.

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Ramandi, Hamed Lamei, Peyman Mostaghimi, Ryan T. Armstrong, Christoph H. Arns, Mohammad Saadatfar, Rob M. Sok, Val Pinczewski, and Mark A. Knackstedt. "Pore scale imaging and modelling of coal properties." APPEA Journal 55, no. 2 (2015): 468. http://dx.doi.org/10.1071/aj14103.

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A key parameter in determining the productivity and commercial success of coal seam gas wells is the permeability of individual seams. Laboratory testing of core plugs is commonly used as an indicator of potential seam permeability. The highly heterogeneous and stress-dependent nature of coal makes laboratory measurements difficult to perform and the results difficult to interpret. Consequently, permeability in coal is poorly understood. The permeability of coal at the core scale depends on the geometry, topology, connectivity, mineralisation and spatial distribution of the cleat system, and a better understanding of coal permeability, that and the factors that control this depends on having a better understanding and detailed characterisation of the system. The authors used high resolution micro-focus X-ray computed tomography and 2D-3D image registration techniques to overlay tomograms of the same core plug, with and without X-ray attenuating fluids present in the pore space, with 2D scanning electron microscope images to produce detailed 3D visualisations of the geometry and topology of the cleat systems in the coal plugs. Novel filtering algorithms were used to produce segmentations that preserve cleat aperture dimensions and together with large-scale fluid flow simulations, they performed directly on the images and were used to compute porosities and permeabilities. Image resolution and segmentation sensitivity studies are also described, which show that the core scale permeability is controlled by a small number of well-connected percolating cleats. The results of this study demonstrate the potential of simple image-based analysis techniques to provide rapid estimates of core plug permeabilities.

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Keller, Lukas M. "3D pore microstructures and computer simulation: Effective permeabilities and capillary pressure during drainage in Opalinus Clay." Oil & Gas Science and Technology – Revue d’IFP Energies nouvelles 76 (2021): 44. http://dx.doi.org/10.2516/ogst/2021027.

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The 3D reconstruction of the pore space in Opalinus Clay is faced with the difficulty that high-resolution imaging methods reach their limits at the nanometer-sized pores in this material. Until now it has not been possible to image the whole pore space with pore sizes that span two orders of magnitude. Therefore, it has not been possible to predict the transport properties of this material with the help computer simulations that require 3D pore structures as input. Following the concept of self-similarity, a digital pore microstructure was constructed from a real but incomplete pore microstructure. The constructed pore structure has the same pore size spectrum as measured in the laboratory. Computer simulations were used to predict capillary pressure curves during drainage, which also agree with laboratory data. It is predicted, that two-phase transport properties such as the evolution of effective permeability as well as capillary pressures during drainage depend both on transport directions, which should be considered for Opalinus Clay when assessing its suitability as host rock for nuclear waste. This directional dependence is controlled on the pore scale by a geometric anisotropy in the pore space.

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Zhou, Y., J. O. O. Helland, and E. Jettestuen. "Dynamic Capillary Pressure Curves From Pore-Scale Modeling in Mixed-Wet-Rock Images." SPE Journal 18, no. 04 (March 27, 2013): 634–45. http://dx.doi.org/10.2118/154474-pa.

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Summary In reservoir multiphase-flow processes with high flow rates, both viscous and capillary forces determine the pore-scale fluid configurations, and significant dynamic effects could appear in the capillary pressure/saturation relation. We simulate dynamic and quasistatic capillary pressure curves for drainage and imbibition directly in scanning-electron-microscope (SEM) images of Bentheim sandstone at mixed-wet conditions by treating the identified pore spaces as tube cross sections. The phase pressures vary with length positions along the tube length but remain unique in each cross section, which leads to a nonlinear system of equations that are solved for interface positions as a function of time. The cross-sectional fluid configurations are computed accurately at any capillary pressure and wetting condition by combining free-energy minimization with a menisci-determining procedure that identifies the intersections of two circles moving in opposite directions along the pore boundary. Circle rotation at pinned contact lines accounts for mixed-wet conditions. Dynamic capillary pressure is calculated with volume-averaged phase pressures, and dynamic capillary coefficients are obtained by computing the time derivative of saturation and the difference between the dynamic and static capillary pressure. Consistent with previously reported measurements, our results demonstrate that, for a given water saturation, simulated dynamic capillary pressure curves are at a higher capillary level than the static capillary pressure during drainage, but at a lower level during imbibition, regardless of the wetting state of the porous medium. The difference between dynamic and static capillary pressure becomes larger as the pressure step applied in the simulations is increased. The model predicts that the dynamic capillary coefficient is a function of saturation and is independent of the incremental pressure step, which is consistent with results reported in previous studies. The dynamic capillary coefficient increases with decreasing water saturation at water-wet conditions, whereas, for mixed- to oil-wet conditions, it increases with increasing water saturation. The imbibition simulations performed at mixed- to oil-wet conditions also indicate that the dynamic capillary coefficient increases with decreasing initial water saturation. The proposed modeling procedure provides insights into the extent of dynamic effects in capillary pressure curves for realistic mixed-wet pore spaces, which could contribute to the improved interpretation of core-scale experiments. The simulated capillary pressure curves obtained with the pore-scale model could also be applied in reservoir-simulation models to assess dynamic pore-scale effects on the Darcy scale.

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Das, Vishal, Tapan Mukerji, and Gary Mavko. "Numerical simulation of coupled fluid-solid interaction at the pore scale: A digital rock-physics technology." GEOPHYSICS 84, no. 4 (July 1, 2019): WA71—WA81. http://dx.doi.org/10.1190/geo2018-0488.1.

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We have used numerical modeling to capture the physics related to coupled fluid-solid interaction (FSI) and the frequency dependence of pore scale fluid flow in response to pore pressure heterogeneities at the pore scale. First, we perform numerical simulations on a simple 2D geometry consisting of a pair of connected cracks to benchmark the numerical method. We then compute and contrast the stresses and pore pressures obtained from our numerical method with the commonly used method that considers only structural mechanics, ignoring FSI. Our results demonstrate that the stresses and pore pressures of these two cases are similar for low frequencies (1 Hz). However, at higher frequencies (1 kHz), we observe pore-pressure heterogeneities from the FSI numerical method that cannot be representatively modeled using the structural mechanics approach. At even higher frequencies (100 MHz), scattering effects in the fluid give rise to higher pressure heterogeneities in the pore space. The dynamic effective P-wave modulus [Formula: see text], attenuation [Formula: see text], and P-wave velocity [Formula: see text] were calculated using the results obtained from the numerical simulations. These results indicate a shift in the dispersion curves toward lower frequencies when the fluid viscosity is increased or when the aspect ratio of the microcrack is decreased. We then applied the numerical method on a 3D digital rock sample of Berea sandstone for a sweep of frequencies ranging from 10 Hz to 100 MHz. The calculated pore pressure at the low frequency (1 kHz) is homogeneous and the fluid is in a relaxed state, whereas at the high frequency (100 kHz), the pore pressure is heterogeneous, and the fluid is in an unrelaxed state. This type of numerical method helps in modeling and understanding the dynamic effects of fluid at different frequencies that result in velocity dispersion and attenuation.

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Vilcáez, Javier, Sadoon Morad, and Naoki Shikazono. "Pore-scale simulation of transport properties of carbonate rocks using FIB-SEM 3D microstructure: Implications for field scale solute transport simulations." Journal of Natural Gas Science and Engineering 42 (June 2017): 13–22. http://dx.doi.org/10.1016/j.jngse.2017.02.044.

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Puig Montellà, Eduard, Chao Yuan, Bruno Chareyre, and Antonio Gens. "Modeling multiphase flow with a hybrid model based on the Pore-network and the lattice Boltzmann method." E3S Web of Conferences 195 (2020): 02009. http://dx.doi.org/10.1051/e3sconf/202019502009.

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Lattice Boltzmann method (LBM) simulations provide an excellent description of two-phase flow through porous media. However, such simulations require a significant computation time. In order to optimize the computation resources, we propose a hybrid model that combines the efficiency of the pore-network approach and the accuracy of the lattice Boltzmann method at the pore scale. The hybrid model is based on the decomposition of the granular assembly into small subsets, in which LBM simulations are performed to determine the main hydrostatic properties (entry capillary pressure, capillary pressure - liquid content relationship and liquid morphology for each pore throat). A primary drainage of a random packing of spheres is presented and contrasted to the results of the same problem fully resolved by the LBM. Liquid morphology and invasion paths are correctly reproduced by the hybrid method.

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Oostrom, M., M. J. Truex, T. W. Wietsma, and G. D. Tartakovsky. "Pore-Water Extraction from Unsaturated Porous Media: Intermediate-Scale Laboratory Experiments and Simulations." Vadose Zone Journal 13, no. 8 (August 2014): vzj2014.04.0044. http://dx.doi.org/10.2136/vzj2014.04.0044.

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Journal articles on the topic 'Pore-scale simulations'

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