MPLBM-UT: Multiphase LBM library for permeable media analysis

Santos, Javier E.; Gigliotti, Alex; Bihani, Abhishek; Landry, Christopher J.; Hesse, M. A.; Pyrcz, Michael J.; Prodanović, Maša

doi:10.1016/j.softx.2022.101097

Cited by 17 publications

(10 citation statements)

References 48 publications

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“…However, due to the computational cost of LBM and the need for the use of higher resolution image for through-plane direction for a fibrous material with binder, the in-plane permeability was calculated for a smaller domain of [500, 500, 280] voxels, which was cropped from the image. LBM simulation was performed using an open-source package MPLBM-UT, 54 which is built upon the open-source package Palabos. 55 To apply a single-phase simulation, a constant pressure gradient was defined between the inlet and outlet of the domain.…”

Section: Validationmentioning

confidence: 99%

Utilizing Pore Network Modeling for Performance Analysis of Multi-Layer Electrodes in Vanadium Redox Flow Batteries

Misaghian

Sadeghi

Lee

et al. 2023

J. Electrochem. Soc.

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Vanadium redox flow batteries (VRFBs) are promising energy storage devices. The microstructure of the porous electrode affects the performance of VRFBs. Therefore, identifying optimized electrode structures is an active research area. However, designing optimal microstructures requires studying varieties of structural parameters and design cases using a modeling tool with low computational cost. In this study, a pore network modeling (PNM) framework was developed to study the effects of multi-layer electrodes on VRFB electrode performance. In contrast to previous experimental works that were focused on multi-layer structure of the same material, this study explored the effect of using different microstructures in each layer. Using an image generation algorithm, fibrous materials were generated from which pore networks were extracted. The developed PNM included a modification by adding throat nodes in the geometry to accommodate a velocity dependent mass transfer coefficient. The results showed that putting a highly permeable layer near the membrane provides an alternative preferential path for fluid to distribute and supply those regions with reactive species, resulting in 57% increase in limiting current density in contrast to the opposite order. However, selection of the desired structures must be based on a trade-off between the current/power density and pressure drop.

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Section: Validationmentioning

confidence: 99%

Utilizing Pore Network Modeling for Performance Analysis of Multi-Layer Electrodes in Vanadium Redox Flow Batteries

Misaghian

Sadeghi

Lee

et al. 2023

J. Electrochem. Soc.

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“…The simulators and solvers used to produce the data presented here have been individually and externally validated. For the single phase flow simulations, the LBM-LEV simulator 70 implemented in 71 was utilized. This simulator has been extensively validated in 40 , 70 , 72 – 75 .…”

Section: Technical Validationmentioning

confidence: 99%

“…The code used for the geometry curation and standarization, and plotting can be found at https://github.com/je-santos/Large-simulation-dataset . The fluid flow simulations were performed using 71 .…”

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confidence: 99%

A Dataset of 3D Structural and Simulated Transport Properties of Complex Porous Media

et al. 2022

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Physical processes that occur within porous materials have wide-ranging applications including - but not limited to - carbon sequestration, battery technology, membranes, oil and gas, geothermal energy, nuclear waste disposal, water resource management. The equations that describe these physical processes have been studied extensively; however, approximating them numerically requires immense computational resources due to the complex behavior that arises from the geometrically-intricate solid boundary conditions in porous materials. Here, we introduce a new dataset of unprecedented scale and breadth, DRP-372: a catalog of 3D geometries, simulation results, and structural properties of samples hosted on the Digital Rocks Portal. The dataset includes 1736 flow and electrical simulation results on 217 samples, which required more than 500 core years of computation. This data can be used for many purposes, such as constructing empirical models, validating new simulation codes, and developing machine learning algorithms that closely match the extensive purely-physical simulation. This article offers a detailed description of the contents of the dataset including the data collection, simulation schemes, and data validation.

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“…In order to test the contact angle algorithm and the free surface assumptions for our LBM model, tests were run comparing the results to a more standard two-phase LBM model: the Shan-Chen model more commonly used in the literature. 38,99,100 Briefly, 69 if one defines the macroscopic velocity u eq as: Here, w i is the weighting at each voxel i, and G c and G ads are the interparticle constant for cohesion and adhesion, respectively. This parameter is often between −2.0 and 2.0.…”

Section: Simulation Verificationmentioning

confidence: 99%

“…For our purposes, the density ratio is 2:1-this allows for a comparison where the Shan-Chen model is valid. The Shan-Chen model is adapted from work done by Santos et al 100 This test involves modeling a single water drop on a surface of varying contact angles and measuring the curvature of the drop. In Shan-Chen models, typically this is varied with the interparticle force constant G for a linear relationship-here, we will compare the drops in the two models to show how well they model contact angle.…”

Section: Simulation Verificationmentioning

confidence: 99%

Two-Phase Dynamics and Hysteresis in the PEM Fuel Cell Catalyst Layer with the Lattice-Boltzmann Method

Grunewald

Goswami

Mukherjee

et al. 2021

J. Electrochem. Soc.

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In this work, a Lattice-Boltzmann-Method (LBM) model for simulating hysteresis in a proton exchange membrane fuel cell (PEMFC) electrode is presented. One of the main challenges hindering study of the cathode catalyst layer (CCL) in PEMFCs is the lack of understanding of two-phase transport and how it affects electrochemical performance. Previously, the microstructure details needed to build an accurate mesoscale model to examine such phenomena have eluded researchers; however, with advances in tomography and focused-ion-beam scanning-electron-microscopy (FIB-SEM), reconstruction of the complex porous media has become possible. Using LBM with these representations, the difficult problem of catalyst layer capillary hysteresis can be examined. In two-phase capillary hysteresis, both the equilibrium saturation position as well as its absolute value depends on the wetting history. Based on the models, it is ascertained that at lower capillary numbers, the liquid begins to undergo capillary fingering—only above a capillary pressure of 5 MPa, a regime change into stable displacement is observed. As capillary fingering does not lead to uniform removal of liquid, the prediction is that because high capillary pressures are needed to change to the regime of stable displacement, wicking is not as effective as the primary means of water removal.

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MPLBM-UT: Multiphase LBM library for permeable media analysis

Cited by 17 publications

References 48 publications

Utilizing Pore Network Modeling for Performance Analysis of Multi-Layer Electrodes in Vanadium Redox Flow Batteries

Utilizing Pore Network Modeling for Performance Analysis of Multi-Layer Electrodes in Vanadium Redox Flow Batteries

A Dataset of 3D Structural and Simulated Transport Properties of Complex Porous Media

Two-Phase Dynamics and Hysteresis in the PEM Fuel Cell Catalyst Layer with the Lattice-Boltzmann Method

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