Publication type: Conference other
Type of review: Editorial review
Title: Towards multiscale modelling of porous electrodes : connecting the meso- to the macroscopic scale
Authors: Schärer, Roman Pascal
Wlodarczyk, Jakub
Schumacher, Jürgen
et. al: No
Proceedings: AMaSiS 2021 Book of Abstracts
Page(s): 34
Conference details: Applied Mathematics and Simulation for Semiconductors and Electrochemical Systems (AMaSiS), online, 6-9 September 2021
Issue Date: 6-Sep-2021
Publisher / Ed. Institution: Weierstraß-Institut für Angewandte Analysis und Stochastik (WIAS)
Publisher / Ed. Institution: Berlin
Language: English
Subjects: Multiscale modelling; Porous electrodes; RFB; Volume averaging method
Subject (DDC): 540: Chemistry
Abstract: Redox flow batteries are an emerging technology for grid energy storage applications thanks to their promising properties, such as long cycle life and safety. Porous electrodes are a core component of flow batteries that facilitate the electron transfer between the liquid electrolyte and solid electrode by providing high specific surface areas. We are interested in macroscopic homogenized descriptions of the coupled processes of mass transport and heterogeneous reactions in porous electrodes, allowing for efficient simulations over macroscopic domains. The effective macroscopic properties, such as the dispersion tensor or the effective reaction rate depend on the pore-scale properties of the porous electrode, such as the morphology and surface properties of the electrode. Here we consider periodic porous media with simplified geometries. The electrolyte is modelled as a dilute, multicomponent mixture occupying the pore-space. We use the method of volume averaging for upscaling the pore-scale problem to obtain effective macroscopic descriptions and study their dependence on the pore-scale properties. In future work, we intend to consider more complex electrochemical interface descriptions based on the framework of non-equilibrium thermodynamics, which allow incorporating additional interface properties that could be provided by lower-scale descriptions, such as kinetic Monte Carlo simulations.
Further description: This project has received funding from the European Union’s Horizon 2020 research and innovation programme under Grant Agreement no. 875489 (SONAR),
Fulltext version: Published version
License (according to publishing contract): Licence according to publishing contract
Departement: School of Engineering
Organisational Unit: Institute of Computational Physics (ICP)
Appears in collections:Publikationen School of Engineering

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