Multicomponent Ionic Transport Modeling in Physically and Electrostatically Heterogeneous Porous Media With PhreeqcRM Coupling for Geochemical Reactions

Muniruzzaman, Muhammad; Rolle, Massimo

doi:10.1029/2019wr026373

Cited by 46 publications

(33 citation statements)

References 109 publications

(214 reference statements)

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“…Porous media can be defined as any naturally (i.e., underground soil or brain) or artificially (i.e., filtration or fuel cell membranes) produced complex material with a very high surface-to-volume ratio. Applications of such porous media are very broad-from biology [93,94] and environmental science [25,26,[95][96][97][98] to geology [99][100][101][102][103]. This section aims to highlight EOF through microporous media by focusing on relevant applications.…”

Section: Eof Through Microporous Mediamentioning

confidence: 99%

Electroosmotic flow: From microfluidics to nanofluidics

et al. 2021

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Electroosmotic flow (EOF), a consequence of an imposed electric field onto an electrolyte solution in the tangential direction of a charged surface, has emerged as an important phenomenon in electrokinetic transport at the micro/nanoscale. Because of their ability to efficiently pump liquids in miniaturized systems without incorporating any mechanical parts, electroosmotic methods for fluid pumping have been adopted in versatile applications—from biotechnology to environmental science. To understand the electrokinetic pumping mechanism, it is crucial to identify the role of an ionically polarized layer, the so‐called electrical double layer (EDL), which forms in the vicinity of a charged solid–liquid interface, as well as the characteristic length scale of the conducting media. Therefore, in this tutorial review, we summarize the development of electrical double layer models from a historical point of view to elucidate the interplay and configuration of water molecules and ions in the vicinity of a solid–liquid interface. Moreover, we discuss the physicochemical phenomena owing to the interaction of electrical double layer when the characteristic length of the conducting media is decreased from the microscale to the nanoscale. Finally, we highlight the pioneering studies and the most recent works on electro osmotic flow devoted to both theoretical and experimental aspects.

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Section: Eof Through Microporous Mediamentioning

confidence: 99%

Electroosmotic flow: From microfluidics to nanofluidics

et al. 2021

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“…Parallelism can be achieved through shared memory OpenMP or across machines through a message passing interface (MPI). Successful application of coupling PHREEQCRM is evident in mostly reactive transport codes, for example, the PHAST by USGS, , FEFLOW, and multicomponent ionic transport …”

Section: Reactive Transport Lbmmentioning

confidence: 99%

A Review of Lattice-Boltzmann Models Coupled with Geochemical Modeling Applied for Simulation of Advanced Waterflooding and Enhanced Oil Recovery Processes

2021

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To maintain economic profit and improve the oil production efficiency after the primary and secondary production phase, advanced waterflooding techniques such as low salinity waterflooding in carbonate reservoirs have been investigated in numerical simulations, laboratory experiments, and field pilot tests. Multiple underlying mechanisms have been proposed based on these studies, and they are still under debate. Various numerical modeling approaches are introduced, but there exists a lack of a pore-scale comprehensive modeling scheme to fully understand the processes. Lattice-Boltzmann method (LBM) is a type of numerical fluid flow modeling technique that shows capabilities and flexibilities in modeling pore-scale fluid flow to integrate physical–chemical processes within complex structures. The intrinsic feature of LBM makes it a promising framework for simulating advanced waterflooding due to its flexibility, accuracy, and parallel efficiency. LBM works either by itself for solving reactive transport problems or by coupling with a third-party reaction solver. This review mainly introduces the LBM fluid flow and reactive transport capabilities and the concept and modeling approaches to simulate advanced waterflooding techniques. Meanwhile, an evaluation of the coupled LBM models for enhanced oil recovery (EOR) simulations is discussed with future research challenges and directions concluded.

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“…The EK‐Bio system was simulated with the code NP‐Phreeqc‐EK (Sprocati et al., 2019), which is a MATLAB implementation specifically developed for electrokinetic applications that couples the flow and transport software COMSOL Multiphysics with the geochemical code PhreeqcRM (Muniruzzaman & Rolle, 2019; Parkhurst & Wissmeier, 2015). NP‐Phreeqc‐EK is based on a sequential non‐iterative approach: flow and transport equations are solved with COMSOL Multiphysics for short time steps, after which the concentrations, evaluated for each mesh point, are passed to PhreeqcRM, which performs the equilibrium and kinetic reactions calculations, considering each mesh point as an independent cell.…”

Section: Modeling Approachmentioning

confidence: 99%

Integrating Process‐Based Reactive Transport Modeling and Machine Learning for Electrokinetic Remediation of Contaminated Groundwater

Sprocati

Rolle

2021

Water Resources Research

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Advanced reactive transport models of fluid flow and solute transport in subsurface porous media are instrumental for the assessment of contaminant environmental fate and for the design of in situ remediation interventions. However, the increasing complexity of process‐based reactive transport simulators often leads to long runtimes, which poses severe restrictions for tasks that require numerous model evaluations. To overcome this limitation, we demonstrate how machine learning surrogate models, trained on the outputs of a limited number of process‐based reactive transport simulations, can predict the evolution of complex subsurface systems. We focus on electrokinetic enhanced bioremediation of chlorinated solvents in low‐permeability porous media, which is an in situ remediation technology entailing a suite of complex and coupled physical, chemical, and biological processes. A process‐based, multicomponent reactive transport model, capable of describing the key mechanisms of electrokinetic flow and transport, is setup in a two‐dimensional domain. The model accounts for electromigration and electroosmosis, the electrostatic interactions between charged species, the chemistry of the pore water solution, the microbially mediated degradation of the organic compounds, and the dynamics of different degraders. We develop a response surface surrogate framework using an artificial neural network as approximation function and we show that the surrogate model has the capability and the flexibility to capture the complex dynamics of electrokinetic remediation in subsurface porous media and allows computationally efficient model exploration, sensitivity analysis, and uncertainty quantification.

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Multicomponent Ionic Transport Modeling in Physically and Electrostatically Heterogeneous Porous Media With PhreeqcRM Coupling for Geochemical Reactions

Cited by 46 publications

References 109 publications

Electroosmotic flow: From microfluidics to nanofluidics

Electroosmotic flow: From microfluidics to nanofluidics

A Review of Lattice-Boltzmann Models Coupled with Geochemical Modeling Applied for Simulation of Advanced Waterflooding and Enhanced Oil Recovery Processes

Integrating Process‐Based Reactive Transport Modeling and Machine Learning for Electrokinetic Remediation of Contaminated Groundwater

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