Estimation of activity coefficients for aqueous organic redox flow batteries : theoretical basis and equations

Mourouga, Gaël; Chery, Déborah; Baudrin, Emmanuel; Randriamahazaka, Hyacinthe; Schmidt, Thomas J.; Schumacher, Juergen O.

doi:10.1016/j.isci.2022.104901

Please use this identifier to cite or link to this item: https://doi.org/10.21256/zhaw-25748

Publication type:	Article in scientific journal
Type of review:	Peer review (publication)
Title:	Estimation of activity coefficients for aqueous organic redox flow batteries : theoretical basis and equations
Authors:	Mourouga, Gaël Chery, Déborah Baudrin, Emmanuel Randriamahazaka, Hyacinthe Schmidt, Thomas J. Schumacher, Juergen O.
et. al:	No
DOI:	10.1016/j.isci.2022.104901 10.21256/zhaw-25748
Published in:	iScience
Volume(Issue):	25
Issue:	9
Page(s):	104901
Issue Date:	2022
Publisher / Ed. Institution:	Cell Press
ISSN:	2589-0042
Language:	English
Subjects:	Redox flow battery; Concentrated solution theory; Estimation of activity coefficients; Virial matrix; Erneuerbare Batterie
Subject (DDC):	621.3: Electrical, communications, control engineering
Abstract:	The field of aqueous organic redox flow batteries (AORFBs) has been developing fast in recent years, and many chemistries are starting to emerge as serious contenders for grid-scale storage. The industrial development of these systems would greatly benefit from accurate physics-based models, allowing to optimize battery operation and design. Many authors in the field of flow battery modeling have brought evidence that the dilute solution hypothesis (the assumption that aqueous electrolytes behave ideally) does not hold for these systems and that calculating cell voltage or chemical potentials through concentrations rather than activities, while serviceable, may become insufficient when greater accuracy is required. This article aims to provide the theoretical basis for calculating activity coefficients of aqueous organic electrolytes used in AORFBs to provide tools to predict the concentrated behavior of aqueous electrolytes, thereby improving the accuracy of physics-based models for flow batteries.
URI:	https://digitalcollection.zhaw.ch/handle/11475/25748
Fulltext version:	Published version
License (according to publishing contract):	CC BY-NC-ND 4.0: Attribution - Non commercial - No derivatives 4.0 International
Departement:	School of Engineering
Organisational Unit:	Institute of Computational Physics (ICP)
Published as part of the ZHAW project:	Redox Flow Battery Campus
Appears in collections:	Publikationen School of Engineering

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Mourouga, G., Chery, D., Baudrin, E., Randriamahazaka, H., Schmidt, T. J., & Schumacher, J. O. (2022). Estimation of activity coefficients for aqueous organic redox flow batteries : theoretical basis and equations. iScience, 25(9), 104901. https://doi.org/10.1016/j.isci.2022.104901

Mourouga, G. et al. (2022) ‘Estimation of activity coefficients for aqueous organic redox flow batteries : theoretical basis and equations’, iScience, 25(9), p. 104901. Available at: https://doi.org/10.1016/j.isci.2022.104901.

G. Mourouga, D. Chery, E. Baudrin, H. Randriamahazaka, T. J. Schmidt, and J. O. Schumacher, “Estimation of activity coefficients for aqueous organic redox flow batteries : theoretical basis and equations,” iScience, vol. 25, no. 9, p. 104901, 2022, doi: 10.1016/j.isci.2022.104901.

MOUROUGA, Gaël, Déborah CHERY, Emmanuel BAUDRIN, Hyacinthe RANDRIAMAHAZAKA, Thomas J. SCHMIDT und Juergen O. SCHUMACHER, 2022. Estimation of activity coefficients for aqueous organic redox flow batteries : theoretical basis and equations. iScience. 2022. Bd. 25, Nr. 9, S. 104901. DOI 10.1016/j.isci.2022.104901

Mourouga, Gaël, Déborah Chery, Emmanuel Baudrin, Hyacinthe Randriamahazaka, Thomas J. Schmidt, and Juergen O. Schumacher. 2022. “Estimation of Activity Coefficients for Aqueous Organic Redox Flow Batteries : Theoretical Basis and Equations.” iScience 25 (9): 104901. https://doi.org/10.1016/j.isci.2022.104901.

Mourouga, Gaël, et al. “Estimation of Activity Coefficients for Aqueous Organic Redox Flow Batteries : Theoretical Basis and Equations.” iScience, vol. 25, no. 9, 2022, p. 104901, https://doi.org/10.1016/j.isci.2022.104901.