Pressure drop analysis on the positive half-cell of a cerium redox flow battery using computational fluid dynamics: mathematical and modelling aspects of porous media

doi:10.1007/s11705-020-1934-9

Front. Chem. Sci. Eng.

2021, Vol. 15

Issue (2) : 399-409 https://doi.org/10.1007/s11705-020-1934-9

RESEARCH ARTICLE

Pressure drop analysis on the positive half-cell of a cerium redox flow battery using computational fluid dynamics: mathematical and modelling aspects of porous media

Fernando F. Rivera^1,²(

), Berenice Miranda-Alcántara², Germán Orozco², Carlos Ponce de León³, Luis F. Arenas³(

)

¹. National Council of Science and Technology (CONACYT), Mexico City 03940, Mexico
². Center of Research and Technological Development in Electrochemistry (CIDETEQ), Querétaro 76703, Mexico
³. Electrochemical Engineering Laboratory, Energy Technology Research Group, Faculty of Engineering and Physical Sciences, University of Southampton, Southampton SO17 1BJ, UK

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Abstract

Description of electrolyte fluid dynamics in the electrode compartments by mathematical models can be a powerful tool in the development of redox flow batteries (RFBs) and other electrochemical reactors. In order to determine their predictive capability, turbulent Reynolds-averaged Navier-Stokes (RANS) and free flow plus porous media (Brinkman) models were applied to compute local fluid velocities taking place in a rectangular channel electrochemical flow cell used as the positive half-cell of a cerium-based RFB for laboratory studies. Two different platinized titanium electrodes were considered, a plate plus a turbulence promoter and an expanded metal mesh. Calculated pressure drop was validated against experimental data obtained with typical cerium electrolytes. It was found that the pressure drop values were better described by the RANS approach, whereas the validity of Brinkman equations was strongly dependent on porosity and permeability values of the porous media.

Keywords CFD simulation porous media porous electrode pressure drop redox flow battery

Corresponding Author(s): Fernando F. Rivera,Luis F. Arenas

Just Accepted Date: 21 April 2020 Online First Date: 30 June 2020 Issue Date: 10 March 2021

Cite this article:

Fernando F. Rivera,Berenice Miranda-Alcántara,Germán Orozco, et al. Pressure drop analysis on the positive half-cell of a cerium redox flow battery using computational fluid dynamics: mathematical and modelling aspects of porous media[J]. Front. Chem. Sci. Eng., 2021, 15(2): 399-409.

URL:

https://academic.hep.com.cn/fcse/EN/10.1007/s11705-020-1934-9
https://academic.hep.com.cn/fcse/EN/Y2021/V15/I2/399

Fig.1 Electrodes and flow system for hydrodynamic studies. (a) Planar electrode+ TP, which comprises a stack of three pieces of polypropylene mesh. The circular insert depicts part of one TP next to the planar electrode. (b) Expanded metal mesh electrode consisting of a welded stack of three pieces of mesh. In these images, the general direction of fluid flow is from left to right. (c) A computer-assisted design (CAD) cut view of the 23 cm high flow cell employed for pressure drop measurements. (d) Experimental arrangement of the flow circuit used for the same studies.

Fig.2 3D CAD subdomains for the half-cell flow channels considered in the simulations. For the RANS approach: (a) Plate+ TP electrode and (c) mesh electrode. The geometry of the electrode structure interacts directly with the fluid flow. For the free flow-Brinkman approach: (b) Plate+ TP electrode and (d) mesh electrode. A uniform subdomain represents the macroscopic characteristics of the porous media. In this perspective, the proton exchange membrane and negative half-cell would be placed adjacent and on top of the visible electrode channel, while the current collector would be placed below it.

Tab.1 Electrolyte and electrode structure properties used in the numerical simulation considering a 0.1 mol·dm⁻³ Ce(IV) ions and 0.7 mol·dm⁻³ Ce(III) ions solution at 25°C

Fig.3 Grid independence analysis showing mesh refinement at the corners. (a) 3D computational subdomains consisting of approximately 250000, 600000 and 1300000 elements (also called “coarse”, “normal” and “fine” mesh, respectively); (b) Plot of calculated velocity magnitude as a function of the number of grid elements at the exit manifold of the flow cell.

Fig.4 Electrolyte flow through the channel containing the plate+ TP electrode for a mean linear velocity of 0.1 m·s⁻¹: (a) Electrolyte velocity fields calculated using the RANS approach, (b) electrolyte velocity fields calculated using the Brinkman approach, (c) typical flow line diagram generated using the RANS approach (d) typical flow line diagram generated using the Brinkman approach. The colour scale is valid for the velocity fields and not for the line diagrams.

Fig.5 Electrolyte flow through the channel containing the expanded mesh electrode for a mean linear velocity of 0.08 m·s⁻¹: (a) Electrolyte velocity fields calculated using the RANS approach, (b) electrolyte velocity fields calculated using the Brinkman approach, (c) typical flow line diagram generated using the RANS approach, (d) typical flow line diagram generated using the Brinkman approach. The colour scale is valid for the velocity fields and not for the line diagrams.

Fig.6 Electrolyte velocity profiles as a function of x-coordinate (width) for the mesh electrode at different inlet velocities at its middle section, y-coordinate (length) = 0.03 m: (a) Calculated by RANS equations, where fluid flow interacts with the electrode structure, (b) calculated by Brinkman equations, where the electrode subdomain is considered to have a homogeneous porous behaviour. Values of x with no data corresponding to the void velocity subdomain where the mesh electrode is present.

Fig.7 Electrolyte velocity profiles as a function of x-coordinate (width) for the mesh electrode at different inlet velocities at its middle section, y-coordinate (length) = 0.03 m: (a) Calculated by RANS equations, where fluid flow interacts with the electrode structure, (b) calculated by Brinkman equations, where the electrode subdomain is considered to have a homogeneous porous behaviour. Values of x with no data corresponding to the void velocity subdomain where the mesh electrode is present.

Fig.8 RANS-simulated pressure drop contour plots across the flow channels containing the electrodes of interest for a mean linear velocity of 0.08 m·s⁻¹: (a) Plate+ TP electrode, (b) expanded mesh electrode.

Fig.9 Comparison between experimental and RANS-simulated pressure drop vs. electrolyte mean linear velocity inside the electrode channel for the plate+ TP and mesh electrodes in a rectangular channel flow cell comprising the positive half-cell of a laboratory RFB.

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