porousMedia4Foam: Multi-scale open-source platform for hydro-geochemical simulations with OpenFOAM

Soulaine, Cyprien; Pavuluri, Saideep; Claret, Francis; Tournassat, Christophe

doi:10.1002/essoar.10505772.1

Cited by 8 publications

(16 citation statements)

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“…We will see in Section 3.3 that the micro-continuum approach can also be used to model the evolution of a fluid-porous interface. Examples of porescale simulations using the micro-continuum approach are found in [135,136,134].…”

Section: Cfd With Volume-of-solid and Micro-continuummentioning

confidence: 99%

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Pore-Scale Imaging and Modelling of Reactive Flow in Evolving Porous Media: Tracking the Dynamics of the Fluid–Rock Interface

Noiriel

Soulaine

2021

Transp Porous Med

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Fluid-mineral and fluid-rock interfaces are key parameters controlling the reactivity and fate of fluids in reservoir rocks and aquifers. The interface dynamics through space and time results from complex processes involving a tight coupling between chemical reactions and transport of species as well as a strong dependence on the physical, chemical, mineralogical and structural properties of the reacting solid phases. In this article, we review the recent advances in pore-scale imaging and reactive flow modelling applied to interface dynamics. Digital rocks derived from time-lapse X-ray micro-tomography imaging gives unprecedented opportunity to track the interface evolution during reactive flow experiments in porous or fractured media, and evaluate locally mineral reactivity. The recent improvements in porescale reactive transport modelling allow for a fine description of flow and transport that integrates moving fluid-mineral interfaces inherent to chemical reactions. Combined with three-dimensional digital images, pore-scale reactive transport modelling complements and augments laboratory experiments. The most advanced multi-scale models integrate sub-voxel porosity and processes which relate to imaging instrument resolution and improve upscaling possibilities. Two example applications based on the solver porousMedia4Foam illustrate the dynamics of the interface for different transport regimes (i.e., diffusive-to advective-dominant) and rock matrix properties (i.e., permeable versus impermeable, and homogeneous versus polymineralic). These parameters affect both the interface roughness and its geometry evolution, from sharp front to smeared (i.e., diffuse) interface. The paper concludes by discussing the challenges associated with precipitation processes in porous media, rock texture and composition (i.e., physical and mineralogical heterogeneity), and upscaling to larger scales.

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Section: Cfd With Volume-of-solid and Micro-continuummentioning

confidence: 99%

“…All simulations use porousMedia4Foam, an OpenFOAM R package that solves multi-scale flow and transport in porous media, including hydrogeochemical processes [134]. For all the simulations presented in this application section, we use a first-order kinetics to describe dissolution at the mineral-fluid interface.…”

Section: Applicationsmentioning

confidence: 99%

Pore-Scale Imaging and Modelling of Reactive Flow in Evolving Porous Media: Tracking the Dynamics of the Fluid–Rock Interface

Noiriel

Soulaine

2021

Transp Porous Med

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“…where the overline notation denotes filtered variables, φ is porosity field, and k is the local permeability of the porous regions. Recent studies show that the micro-continuum framework is well-suited to solve problems involving two characteristic length-scales (e.g., fractured media, micro-porous rocks) (Arns et al, 2005;Scheibe et al, 2015;Soulaine et al, , 2021Carrillo et al, 2020;Menke et al, 2020;Poonoosamy et al, 2020) and also to describe the movement of fluid/solid interfaces caused by dissolution/erosion and precipitation/deposition (Soulaine and Tchelepi, 2016;Soulaine et al, 2017;Molins et al, 2020) or by solid deformation due to swelling or fracturing (Carrillo and Bourg, 2019). Microcontinuum models are also able to simulate two-phase flow processes (Soulaine et al, 2018(Soulaine et al, , 2019Carrillo et al, 2020).…”

Section: Multi-scale Approachmentioning

confidence: 99%

Computational Microfluidics for Geosciences

2021

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Computational microfluidics for geosciences is the third leg of the scientific strategy that includes microfluidic experiments and high-resolution imaging for deciphering coupled processes in geological porous media. This modeling approach solves the fundamental equations of continuum mechanics in the exact geometry of porous materials. Computational microfluidics intends to complement and augment laboratory experiments. Although the field is still in its infancy, the recent progress in modeling multiphase flow and reactive transport at the pore-scale has shed new light on the coupled mechanisms occurring in geological porous media already. In this paper, we review the state-of-the-art computational microfluidics for geosciences, the open challenges, and the future trends.

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“…These frameworks usually offer features such as user-transparent parallelization on different hardwares and dynamic grid refinement (e.g., Permann et al, 2020). Implementations of reactive transport simulators based on this kind of frameworks are being published (Damiani et al, 2020;Kyas et al, 2020;Soulaine et al, 2021), but to our knowledge a detailed analysis of optimal parallelization specific to geochemistry are not yet available.…”

Section: Parallel Reactive Transport Simulators: State Of the Artmentioning

confidence: 99%

<tt>POET</tt> (v0.1): Speedup of Many-Cores Parallel Reactive Transport Simulations with Fast DHT-Lookups

Lucia

Kühn

Lindemann

et al. 2021

Preprint

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Abstract. Coupled reactive transport simulations are extremely demanding in terms of required computational power, which hampers their application and leads to coarsened and oversimplified domains. The chemical sub-process represents the major bottleneck: its acceleration is an urgent challenge which gathers increasing interdisciplinary interest along with pressing requirements for subsurface utilization such as spent nuclear fuel storage, geothermal energy and CO2 storage. In this context we 5 developed POET (POtsdam rEactive Transport), a research parallel reactive transport simulator integrating algorithmic improvements which decisively speedup coupled simulations. In particular, POET is designed with a master/worker architecture, which ensures computational efficiency on both multicore and cluster compute environments. POET does not rely on contiguous grid partitions for the parallelization of chemistry, but forms work packages composed of grid cells distant from each other. Such scattering prevents particularly expensive geochemical simulations, usually concentrated in the vicinity of a reactive front, from generating load imbalance between the available CPUs, as it is often the case with classical partitions. Furthermore, POET leverages an original implementation of Distributed Hash Table (DHT) mechanism to cache the results of geochemical simulations for further reuse in subsequent time-steps during the coupled simulation. The caching is hence particularly advantageous for initially chemically homogeneous simulations and for smooth reaction fronts. We tune the rounding employed in the DHT on a 2D benchmark to validate the caching approach, and we evaluate the performance gain of POET's master/worker architecture and the DHT speedup on a 3D benchmark comprising around 650 k grid elements. The runtime for 200 coupling iterations, corresponding to 960 simulation days, reduced from about 24 h on 11 workers to 29 minutes on 719 workers. Activating the DHT reduces the runtime further to 2 h and 8 minutes respectively. Only with this kind of reduced hardware requirements and computational costs it is possible to realistically perform the large scale, long-term complex reactive transport simulations, as well as performing the uncertainty analyses required by pressing societal challenges connected with subsurface utilization.

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porousMedia4Foam: Multi-scale open-source platform for hydro-geochemical simulations with OpenFOAM

Cited by 8 publications

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Pore-Scale Imaging and Modelling of Reactive Flow in Evolving Porous Media: Tracking the Dynamics of the Fluid–Rock Interface

Pore-Scale Imaging and Modelling of Reactive Flow in Evolving Porous Media: Tracking the Dynamics of the Fluid–Rock Interface

Computational Microfluidics for Geosciences

<tt>POET</tt> (v0.1): Speedup of Many-Cores Parallel Reactive Transport Simulations with Fast DHT-Lookups

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porousMedia4Foam: Multi-scale open-source platform for hydro-geochemical simulations with OpenFOAM

Cited by 8 publications

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Pore-Scale Imaging and Modelling of Reactive Flow in Evolving Porous Media: Tracking the Dynamics of the Fluid–Rock Interface

Pore-Scale Imaging and Modelling of Reactive Flow in Evolving Porous Media: Tracking the Dynamics of the Fluid–Rock Interface

Computational Microfluidics for Geosciences

&lt;tt&gt;POET&lt;/tt&gt; (v0.1): Speedup of Many-Cores Parallel Reactive Transport Simulations with Fast DHT-Lookups

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<tt>POET</tt> (v0.1): Speedup of Many-Cores Parallel Reactive Transport Simulations with Fast DHT-Lookups