1. ZHAW digitalcollection
  2. School of Engineering
  3. Publikationen
  4. Publikationen School of Engineering
Full metadata record
DC FieldValueLanguage
dc.contributor.authorNoack, Jens-
dc.contributor.authorBaudrin, Emmanuel-
dc.contributor.authorFornari, Rocco-
dc.contributor.authorFranco, Alejandro A.-
dc.contributor.authorGerlach, Daniel-
dc.contributor.authorGuan, Xinjie-
dc.contributor.authorHamaekers, Jan-
dc.contributor.authorMaass, Astrid-
dc.contributor.authorMenictas, Chris-
dc.contributor.authorMourouga, Gael-
dc.contributor.authorNirschl, Hermann-
dc.contributor.authorRoznyatovskaya, Nataliya-
dc.contributor.authorSchärer, Roman Pascal-
dc.contributor.authorSchumacher, Jürgen-
dc.contributor.authorde Silva, Piotr-
dc.contributor.authorSkyllas-Kazacos, Maria-
dc.contributor.authorWlodarczyk, Jakub-
dc.contributor.authorWolf, Amadeus-
dc.contributor.authorYu, Jia-
dc.date.accessioned2022-11-11T13:06:50Z-
dc.date.available2022-11-11T13:06:50Z-
dc.date.issued2022-
dc.identifier.urihttps://doi.org/10.1149/MA2022-01461954mtgabsde_CH
dc.identifier.urihttps://digitalcollection.zhaw.ch/handle/11475/26031-
dc.description.abstractDue to the characteristics of flow batteries, this technology is ideally suited for low-cost storage in the range of a few hours and thus for load balancing as stationary storage in grids with high amounts of renewable energy [1]. Today, a large number of different active materials for flow batteries are known, although only a few have been commercialised [2]. Basically, the energy supply and thus also the required storage should be sustainable, i.e. not cause resource problems and not be harmful to humans and the environment. A potential for a huge range of possibilities is offered by organic active materials, which should be used especially in aqueous solutions. Due to the immense possibilities, classical synthesis and testing is extremely lengthy and costly. An alternative can be model-based high-throughput screening, where by simulating the properties of active materials in the electrolyte and the battery itself, computer-based simulations can be used to conduct the search. The SONAR project is an EU-funded project in which 7 different institutions from the EU, Switzerland and Australia are developing a high-throughput screening method capable of finding new active materials for redox flow batteries. The principle is a serial coupling of different size scales, combined with molecule generation and machine learning. The chemical structure of a candidate is generated by a molecule generator and then its atomistic properties, kinetics, side reactions and cell properties are iteratively calculated with exclusion criteria. In this talk we will give an overview of 2 years of research in this project in the areas of machine learning for high throughput screening, DFT based quantum mechanics modelling, kinetics Monte Carlo methods for meso-scale, 0D cell modelling, 3D cell modelling, stack modelling and techno-economics.de_CH
dc.language.isoende_CH
dc.rightsLicence according to publishing contractde_CH
dc.subjectOrganic redox flow batteryde_CH
dc.subjectModel-based screening of redox couplesde_CH
dc.subject.ddc621.3: Elektro-, Kommunikations-, Steuerungs- und Regelungstechnikde_CH
dc.titleModelling and simulation for the search for new active materials for redox flow batteries : results of the international project Sonarde_CH
dc.typeKonferenz: Sonstigesde_CH
dcterms.typeTextde_CH
zhaw.departementSchool of Engineeringde_CH
zhaw.organisationalunitInstitute of Computational Physics (ICP)de_CH
zhaw.conference.details241st ECS Meeting, Vancouver, Canada, 29 May - 2 June 2022de_CH
zhaw.funding.euinfo:eu-repo/grantAgreement/EC/H2020/875489//Modelling for the search for new active materials for redox flow batteries/SONARde_CH
zhaw.originated.zhawYesde_CH
zhaw.publication.statuspublishedVersionde_CH
zhaw.publication.reviewEditorial reviewde_CH
zhaw.funding.zhawModellierung für die Suche nach neuen aktiven Materialien für Redox-Flow-Batteriende_CH
zhaw.author.additionalNode_CH
zhaw.display.portraitYesde_CH
Appears in collections:Publikationen School of Engineering

Files in This Item:
There are no files associated with this item.
Show simple item record
Noack, J., Baudrin, E., Fornari, R., Franco, A. A., Gerlach, D., Guan, X., Hamaekers, J., Maass, A., Menictas, C., Mourouga, G., Nirschl, H., Roznyatovskaya, N., Schärer, R. P., Schumacher, J., de Silva, P., Skyllas-Kazacos, M., Wlodarczyk, J., Wolf, A., & Yu, J. (2022). Modelling and simulation for the search for new active materials for redox flow batteries : results of the international project Sonar. 241st ECS Meeting, Vancouver, Canada, 29 May - 2 June 2022. https://doi.org/10.1149/MA2022-01461954mtgabs
Noack, J. et al. (2022) ‘Modelling and simulation for the search for new active materials for redox flow batteries : results of the international project Sonar’, in 241st ECS Meeting, Vancouver, Canada, 29 May - 2 June 2022. Available at: https://doi.org/10.1149/MA2022-01461954mtgabs.
J. Noack et al., “Modelling and simulation for the search for new active materials for redox flow batteries : results of the international project Sonar,” in 241st ECS Meeting, Vancouver, Canada, 29 May - 2 June 2022, 2022. [Online]. Available: https://doi.org/10.1149/MA2022-01461954mtgabs
NOACK, Jens, Emmanuel BAUDRIN, Rocco FORNARI, Alejandro A. FRANCO, Daniel GERLACH, Xinjie GUAN, Jan HAMAEKERS, Astrid MAASS, Chris MENICTAS, Gael MOUROUGA, Hermann NIRSCHL, Nataliya ROZNYATOVSKAYA, Roman Pascal SCHÄRER, Jürgen SCHUMACHER, Piotr DE SILVA, Maria SKYLLAS-KAZACOS, Jakub WLODARCZYK, Amadeus WOLF und Jia YU, 2022. Modelling and simulation for the search for new active materials for redox flow batteries : results of the international project Sonar. In: 241st ECS Meeting, Vancouver, Canada, 29 May - 2 June 2022 [online]. Conference presentation. 2022. Verfügbar unter: https://doi.org/10.1149/MA2022-01461954mtgabs
Noack, Jens, Emmanuel Baudrin, Rocco Fornari, Alejandro A. Franco, Daniel Gerlach, Xinjie Guan, Jan Hamaekers, et al. 2022. “Modelling and Simulation for the Search for New Active Materials for Redox Flow Batteries : Results of the International Project Sonar.” Conference presentation. In 241st ECS Meeting, Vancouver, Canada, 29 May - 2 June 2022. https://doi.org/10.1149/MA2022-01461954mtgabs.
Noack, Jens, et al. “Modelling and Simulation for the Search for New Active Materials for Redox Flow Batteries : Results of the International Project Sonar.” 241st ECS Meeting, Vancouver, Canada, 29 May - 2 June 2022, 2022, https://doi.org/10.1149/MA2022-01461954mtgabs.


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.