Browsing by Author "Flemisch, Bernd"
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Item Open Access An adaptive hybrid vertical equilibrium/full‐dimensional model for compositional multiphase flow(2022) Becker, Beatrix; Guo, Bo; Buntic, Ivan; Flemisch, Bernd; Helmig, RainerEfficient compositional models are required to simulate underground gas storage in porous formations where, for example, gas quality (such as purity) and loss of gas due to dissolution are of interest. We first extend the concept of vertical equilibrium (VE) to compositional flow, and derive a compositional VE model by vertical integration. Second, we present a hybrid model that couples the efficient compositional VE model to a compositional full‐dimensional model. Subdomains, where the compositional VE model is valid, are identified during simulation based on a VE criterion that compares the vertical profiles of relative permeability at equilibrium to the ones simulated by the full‐dimensional model. We demonstrate the applicability of the hybrid model by simulating hydrogen storage in a radially symmetric, heterogeneous porous aquifer. The hybrid model shows excellent adaptivity over space and time for different permeability values in the heterogeneous region, and compares well to the full‐dimensional model while being computationally efficient, resulting in a runtime of roughly one‐third of the full‐dimensional model. Based on the results, we assume that for larger simulation scales, the efficiency of this new model will increase even more.Item Open Access Comparison study of phase-field and level-set method for three-phase systems including two minerals(2022) Kelm, Mathis; Gärttner, Stephan; Bringedal, Carina; Flemisch, Bernd; Knabner, Peter; Ray, NadjaWe investigate reactive flow and transport in evolving porous media. Solute species that are transported within the fluid phase are taking part in mineral precipitation and dissolution reactions for two competing mineral phases. The evolution of the three phases is not known a-priori but depends on the concentration of the dissolved solute species. To model the coupled behavior, phase-field and level-set models are formulated. These formulations are compared in three increasingly challenging setups including significant mineral overgrowth. Simulation outcomes are examined with respect to mineral volumes and surface areas as well as derived effective quantities such as diffusion and permeability tensors. In doing so, we extend the results of current benchmarks for mineral dissolution/precipitation at the pore-scale to the multiphasic solid case. Both approaches are found to be able to simulate the evolution of the three-phase system, but the phase-field model is influenced by curvature-driven motion.Item Open Access Coupling DuMuX and DUNE-PDELab to investigate evaporation at the interface between Darcy and Navier-Stokes flow(Stuttgart : SimTech - Cluster of Excellence, 2017) Grüninger, Christoph; Fetzer, Thomas; Flemisch, Bernd; Helmig, RainerAn implementation of a coupled Navier-Stokes/Darcy model based on different Dune discretization modules is presented. The Darcy model is taken from DuMuX, the Navier-Stokes model is implemented on top of Dune-PDELab, and the coupling is done with help of Dune-MultiDomain together with some project-specific auxiliary code. The Navier-Stokes model features one fluid phase, the Darcy model two fluid phases. Each fluid phase may be composed of two components, in addition, non-isothermal processes are considered. The coupling between free and porous-medium flow uses a sharp interface between both subdomains and conserves mass, momentum, and energy by accounting for the corresponding fluxes across the interface. A cell-centered finite volume method (FVM) is combined with a marker and cell (MAC) scheme. It solves the coupled problem in one monolithic system using a Newton method and a direct linear solver. Numerical results demonstrate the basic functioning and a lab-scale reference application.Item Open Access The FluidFlower validation benchmark study for the storage of CO2(2023) Flemisch, Bernd; Nordbotten, Jan M.; Fernø, Martin; Juanes, Ruben; Both, Jakub W.; Class, Holger; Delshad, Mojdeh; Doster, Florian; Ennis-King, Jonathan; Franc, Jacques; Geiger, Sebastian; Gläser, Dennis; Green, Christopher; Gunning, James; Hajibeygi, Hadi; Jackson, Samuel J.; Jammoul, Mohamad; Karra, Satish; Li, Jiawei; Matthäi, Stephan K.; Miller, Terry; Shao, Qi; Spurin, Catherine; Stauffer, Philip; Tchelepi, Hamdi; Tian, Xiaoming; Viswanathan, Hari; Voskov, Denis; Wang, Yuhang; Wapperom, Michiel; Wheeler, Mary F.; Wilkins, Andrew; Youssef, AbdAllah A.; Zhang, ZiliangSuccessful deployment of geological carbon storage (GCS) requires an extensive use of reservoir simulators for screening, ranking and optimization of storage sites. However, the time scales of GCS are such that no sufficient long-term data is available yet to validate the simulators against. As a consequence, there is currently no solid basis for assessing the quality with which the dynamics of large-scale GCS operations can be forecasted. To meet this knowledge gap, we have conducted a major GCS validation benchmark study. To achieve reasonable time scales, a laboratory-size geological storage formation was constructed (the “FluidFlower”), forming the basis for both the experimental and computational work. A validation experiment consisting of repeated GCS operations was conducted in the FluidFlower, providing what we define as the true physical dynamics for this system. Nine different research groups from around the world provided forecasts, both individually and collaboratively, based on a detailed physical and petrophysical characterization of the FluidFlower sands. The major contribution of this paper is a report and discussion of the results of the validation benchmark study, complemented by a description of the benchmarking process and the participating computational models. The forecasts from the participating groups are compared to each other and to the experimental data by means of various indicative qualitative and quantitative measures. By this, we provide a detailed assessment of the capabilities of reservoir simulators and their users to capture both the injection and post-injection dynamics of the GCS operations.Item Open Access A study on Darcy versus Forchheimer models for flow through heterogeneous landfills including macropores(2022) Winter, Roman; Valsamidou, Archontoula; Class, Holger; Flemisch, BerndFlow through heterogeneous landfills that include macropores may occur under Reynolds numbers higher than those where Darcy’s law is valid. Extensions, such as a Forchheimer approach, may be required to include inertial effects. Our aim is developing predictive models for such landfills that are built from the low-level radioactive waste and debris of dismantled nuclear power plants. It consists of different materials, which after crushing result in a spatially heterogeneous distribution of porous-media properties in the landfills. Rain events or leakage, for example, may wash out radionuclides and transport them with the water flow. We investigate here the water flow and consider an inclusion of macropores. To deal with possibly high velocities, we choose the Forchheimer model and, taking different Forchheimer coefficients into account, compare it to the Darcy model. The focal points of the study are (i) the influence of the macropores on the flow field and (ii) the impact of the choice of the Forchheimer coefficient both on the solution and the computational effort. The results show that dependent on their size, macropores can dominate the flow field. Furthermore, Forchheimer coefficients introducing more inertial effects are associated with considerably higher runtimes.Item Open Access A surrogate-assisted uncertainty-aware Bayesian validation framework and its application to coupling free flow and porous-medium flow(2023) Mohammadi, Farid; Eggenweiler, Elissa; Flemisch, Bernd; Oladyshkin, Sergey; Rybak, Iryna; Schneider, Martin; Weishaupt, KilianExisting model validation studies in geoscience often disregard or partly account for uncertainties in observations, model choices, and input parameters. In this work, we develop a statistical framework that incorporates a probabilistic modeling technique using a fully Bayesian approach to perform a quantitative uncertainty-aware validation. A Bayesian perspective on a validation task yields an optimal bias-variance trade-off against the reference data. It provides an integrative metric for model validation that incorporates parameter and conceptual uncertainty. Additionally, a surrogate modeling technique, namely Bayesian Sparse Polynomial Chaos Expansion, is employed to accelerate the computationally demanding Bayesian calibration and validation. We apply this validation framework to perform a comparative evaluation of models for coupling a free flow with a porous-medium flow. The correct choice of interface conditions and proper model parameters for such coupled flow systems is crucial for physically consistent modeling and accurate numerical simulations of applications. We develop a benchmark scenario that uses the Stokes equations to describe the free flow and considers different models for the porous-medium compartment and the coupling at the fluid-porous interface. These models include a porous-medium model using Darcy’s law at the representative elementary volume scale with classical or generalized interface conditions and a pore-network model with its related coupling approach. We study the coupled flow problems’ behaviors considering a benchmark case, where a pore-scale resolved model provides the reference solution. With the suggested framework, we perform sensitivity analysis, quantify the parametric uncertainties, demonstrate each model’s predictive capabilities, and make a probabilistic model comparison.Item Open Access Surrogate-based Bayesian comparison of computationally expensive models : application to microbially induced calcite precipitation(2021) Scheurer, Stefania; Schäfer Rodrigues Silva, Aline; Mohammadi, Farid; Hommel, Johannes; Oladyshkin, Sergey; Flemisch, Bernd; Nowak, WolfgangGeochemical processes in subsurface reservoirs affected by microbial activity change the material properties of porous media. This is a complex biogeochemical process in subsurface reservoirs that currently contains strong conceptual uncertainty. This means, several modeling approaches describing the biogeochemical process are plausible and modelers face the uncertainty of choosing the most appropriate one. The considered models differ in the underlying hypotheses about the process structure. Once observation data become available, a rigorous Bayesian model selection accompanied by a Bayesian model justifiability analysis could be employed to choose the most appropriate model, i.e. the one that describes the underlying physical processes best in the light of the available data. However, biogeochemical modeling is computationally very demanding because it conceptualizes different phases, biomass dynamics, geochemistry, precipitation and dissolution in porous media. Therefore, the Bayesian framework cannot be based directly on the full computational models as this would require too many expensive model evaluations. To circumvent this problem, we suggest to perform both Bayesian model selection and justifiability analysis after constructing surrogates for the competing biogeochemical models. Here, we will use the arbitrary polynomial chaos expansion. Considering that surrogate representations are only approximations of the analyzed original models, we account for the approximation error in the Bayesian analysis by introducing novel correction factors for the resulting model weights. Thereby, we extend the Bayesian model justifiability analysis and assess model similarities for computationally expensive models. We demonstrate the method on a representative scenario for microbially induced calcite precipitation in a porous medium. Our extension of the justifiability analysis provides a suitable approach for the comparison of computationally demanding models and gives an insight on the necessary amount of data for a reliable model performance.Item Open Access Tackling coupled problems in porous media : development of numerical models and an open source simulator(2013) Flemisch, Bernd; Helmig, Rainer (Prof. Dr.-Ing.)Flow and transport processes in porous media are the governing processes in a large variety of geological, technical and biological systems. For many interesting and important applications, these processes cannot be treated in an isolated manner or adequately described by means of a single-scale, single-physics mathematical model, and the coupling of two or more models is required. The development of coupled numerical models poses severe challenges on the conceptual, analytical and computational level. This habilitation thesis aims to describe a number of these challenges and solve some of the problems they pose. It is divided into three parts: Part A "Model Coupling" deals with uncoupled and coupled porous-media models in general and describes some of these models in detail. "Locally Conservative Discretization Methods," as treated in Part B, are a fundamental ingredient of reasonable numerical models for porous media flow and transport processes. A numerical model is realized by its implementation in the form of computer code. Part C "Open-Source Porous-Media Simulation" deals with the idea of developing such a computer code by means of open-source development techniques.Item Open Access Umgang mit Forschungssoftware an der Universität Stuttgart(2020) Flemisch, Bernd; Hermann, Sibylle; Holm, Christian; Mehl, Miriam; Reina, Guido; Uekermann, Benjamin; Boehringer, David; Ertl, Thomas; Grad, Jean-Noël; Iglezakis, Dorothea; Jaust, Alexander; Koch, Timo; Seeland, Anett; Weeber, Rudolf; Weik, Florian; Weishaupt, KilianWir empfehlen die Einrichtung einer Organisationseinheit Forschungssoftware-Entwicklung an der Universität Stuttgart und eines daran angegliederten Stellenpools von Research Software Engineers (RSEs). Dazu schlagen wir Maßnahmen zur Schaffung und Finanzierung entsprechender neuer RSE-Stellen, zur Integration bestehender Stellen sowie zur Gewinnung und Förderung geeigneter Personen vor. RSEs sind Personen, die sich um Konzeption, Organisation, Implementierung, Testen, Dokumentation und Wartung von Forschungssoftware kümmern. Die institutionelle Förderung von Forschungssoftware-Entwicklung ist notwendig, da die Bedeutung von Software für die Forschung und Anforderungen an die entsprechende Software, u.a. durch die DFG, stetig zunimmt.Item Open Access Upscaling and effective behavior for two-phase porous-medium flow using a diffuse interface model(2024) Kelm, Mathis; Bringedal, Carina; Flemisch, BerndWe investigate two-phase flow in porous media and derive a two-scale model, which incorporates pore-scale phase distribution and surface tension into the effective behavior at the larger Darcy scale. The free-boundary problem at the pore scale is modeled using a diffuse interface approach in the form of a coupled Allen-Cahn Navier-Stokes system with an additional momentum flux due to surface tension forces. Using periodic homogenization and formal asymptotic expansions, a two-scale model with cell problems for phase evolution and velocity contributions is derived. We investigate the computed effective parameters and their relation to the saturation for different fluid distributions, in comparison to commonly used relative permeability saturation curves. The two-scale model yields non-monotone relations for relative permeability and saturation. The strong dependence on local fluid distribution and effects captured by the cell problems highlights the importance of incorporating pore-scale information into the macro-scale equations.Item Open Access Visual ensemble analysis of fluid flow in porous media across simulation codes and experiment(2023) Bauer, Ruben; Ngo, Quynh Quang; Reina, Guido; Frey, Steffen; Flemisch, Bernd; Hauser, Helwig; Ertl, Thomas; Sedlmair, MichaelWe study the question of how visual analysis can support the comparison of spatio-temporal ensemble data of liquid and gas flow in porous media. To this end, we focus on a case study, in which nine different research groups concurrently simulated the process of injecting CO 2into the subsurface. We explore different data aggregation and interactive visualization approaches to compare and analyze these nine simulations. In terms of data aggregation, one key component is the choice of similarity metrics that define the relationship between different simulations. We test different metrics and find that using the machine-learning model “S4” (tailored to the present study) as metric provides the best visualization results. Based on that, we propose different visualization methods. For overviewing the data, we use dimensionality reduction methods that allow us to plot and compare the different simulations in a scatterplot. To show details about the spatio-temporal data of each individual simulation, we employ a space-time cube volume rendering. All views support linking and brushing interaction to allow users to select and highlight subsets of the data simultaneously across multiple views. We use the resulting interactive, multi-view visual analysis tool to explore the nine simulations and also to compare them to data from experimental setups. Our main findings include new insights into ranking of simulation results with respect to experimental data, and the development of gravity fingers in simulations.