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Modelling water dissociation, acid-base neutralization and ion transport in bipolar membranes for acid-base flow batteries

Modelling water dissociation, acid-base neutralization and ion transport in bipolar membranes for acid-base flow batteries
Modelling water dissociation, acid-base neutralization and ion transport in bipolar membranes for acid-base flow batteries
Research on flow batteries based on water dissociation and acid-base neutralization reactions at bipolar membranes is driven by the possibility of a low-cost and environmentally friendly technology. However, their application in energy storage requires a high round-trip efficiency, which has yet to be realized. In order to establish which critical factors determine their efficiency, this work examines the distribution of potential and concentration in a laboratory scale acid-base flow battery by using fundamental models. Transport mechanisms of diffusion, convection and migration were incorporated into the Nernst-Planck equation. Water dissociation during the charging step was modeled by the second Wien effect combined with the catalytic effect produced by functional groups or by catalysts present in the bipolar junction and compared to the water dissociation equilibrium model. The discharge was modeled by neutralization reaction kinetics and was also compared to the equilibrium model. All model parameters were firmly established and were determined or estimated from information available from the membrane supplier or the literature. The current-potential behavior predicted by the model for both charge and discharge closely matches experimental data and provides a lead for future work on full-scale modeling of acid-base flow batteries.
Bipolar membrane, Donnan potential, Electrodialysis, Energy storage, Ion exchange membrane
0376-7388
Ortega, Arturo Ortega
a3c5e218-0261-453d-a7bc-51e8cd68822e
Arenas Martinez, Luis Fernando
6e7e3d10-2aab-4fc3-a6d4-63a6614d0403
Pijpers, Joep J. H.
6a4aa585-5859-4b73-9ec1-f2191f2d165b
Vicencio, Diana L.
82247cb9-d8d0-45ba-9f07-de2546afb7aa
Martínez, Juan C.
56fe1e42-9ca7-46f0-9479-389ec7540a49
Rodríguez, Francisca A.
db22c04d-10b5-4f43-8378-de3a679f8ef2
Rivero, Eligio P.
323ace51-59a8-4702-a729-3e12e632942b
Ortega, Arturo Ortega
a3c5e218-0261-453d-a7bc-51e8cd68822e
Arenas Martinez, Luis Fernando
6e7e3d10-2aab-4fc3-a6d4-63a6614d0403
Pijpers, Joep J. H.
6a4aa585-5859-4b73-9ec1-f2191f2d165b
Vicencio, Diana L.
82247cb9-d8d0-45ba-9f07-de2546afb7aa
Martínez, Juan C.
56fe1e42-9ca7-46f0-9479-389ec7540a49
Rodríguez, Francisca A.
db22c04d-10b5-4f43-8378-de3a679f8ef2
Rivero, Eligio P.
323ace51-59a8-4702-a729-3e12e632942b

Ortega, Arturo Ortega, Arenas Martinez, Luis Fernando, Pijpers, Joep J. H., Vicencio, Diana L., Martínez, Juan C., Rodríguez, Francisca A. and Rivero, Eligio P. (2022) Modelling water dissociation, acid-base neutralization and ion transport in bipolar membranes for acid-base flow batteries. Journal of Membrane Science, 641, [119899]. (doi:10.1016/j.memsci.2021.119899).

Record type: Article

Abstract

Research on flow batteries based on water dissociation and acid-base neutralization reactions at bipolar membranes is driven by the possibility of a low-cost and environmentally friendly technology. However, their application in energy storage requires a high round-trip efficiency, which has yet to be realized. In order to establish which critical factors determine their efficiency, this work examines the distribution of potential and concentration in a laboratory scale acid-base flow battery by using fundamental models. Transport mechanisms of diffusion, convection and migration were incorporated into the Nernst-Planck equation. Water dissociation during the charging step was modeled by the second Wien effect combined with the catalytic effect produced by functional groups or by catalysts present in the bipolar junction and compared to the water dissociation equilibrium model. The discharge was modeled by neutralization reaction kinetics and was also compared to the equilibrium model. All model parameters were firmly established and were determined or estimated from information available from the membrane supplier or the literature. The current-potential behavior predicted by the model for both charge and discharge closely matches experimental data and provides a lead for future work on full-scale modeling of acid-base flow batteries.

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Accepted Manuscript Modelling BM - LFA PURE - Accepted Manuscript
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Accepted/In Press date: 19 September 2021
e-pub ahead of print date: 21 September 2021
Published date: 1 January 2022
Additional Information: Funding Information: This research was funded by CONACYT-SENER Fondo de Sustentabilidad Energética under project 292862 . F. A. Rodríguez would like to thank the complementary support by PIAPI grant 2044. Publisher Copyright: © 2021 Elsevier B.V.
Keywords: Bipolar membrane, Donnan potential, Electrodialysis, Energy storage, Ion exchange membrane

Identifiers

Local EPrints ID: 451941
URI: http://eprints.soton.ac.uk/id/eprint/451941
ISSN: 0376-7388
PURE UUID: e19ed7d0-e939-4f37-87d6-9e1052ea64fb

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Date deposited: 04 Nov 2021 17:32
Last modified: 06 Jun 2024 04:03

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Contributors

Author: Arturo Ortega Ortega
Author: Joep J. H. Pijpers
Author: Diana L. Vicencio
Author: Juan C. Martínez
Author: Francisca A. Rodríguez
Author: Eligio P. Rivero

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