Project description DEENESFRITPL Energising redox flow batteries SONAR will develop a framework for the simulation-based screening of electroactive materials for aqueous and nonaqueous organic redox flow batteries (RFBs). It will adopt a multiscale modelling paradigm, in which simulation methods at different physical scales will be further advanced and linked by combining physics- and data-based modelling. SONAR will develop a screening framework to determine levelized cost of storage, starting from the automatic generation of candidate structures for the electroactive material, then iterating through molecular-, electrochemical interface-, porous electrodes-, cell-, stack-, system- and techno-economic-level models. To increase the throughput of the screening, SONAR will exploit advanced data integration, analysis and machine-learning techniques, drawing on the growing amount of data produced during the project. Project results are expected to reduce the cost and time-to-market of redox flow batteries, thus strengthening the competitiveness of the EU battery industry. Show the project objective Hide the project objective Objective SONAR will develop a framework for the simulation-based screening of electroactive materials for aqueous and nonaqueous organic redox flow batteries (RFBs). It will adopt a multiscale modelling paradigm, in which simulation methods at different physical scales will be further advanced and linked by combining physics- and data-based modelling. Competing energy storage technologies are only comparable when using the levelized-cost-of-storage (LCOS) as a global metric, accounting for the complex interrelations between factors like CAPEX, lifetime and performance. SONAR will thus develop a screening framework to determine LCOS, starting from the automatic generation of candidate structures for the electroactive material, then iterating through molecular-, electrochemical interface-, porous electrodes-, cell-, stack-, system- and techno-economic-level models. For the iterative traversal of the different scales, exclusion criteria like solubility, standard potentials and kinetics will be defined, and the results for individual candidates will be stored in a database for further processing. To increase the throughput of the screening, SONAR will exploit advanced data integration, analysis and machine-learning techniques, drawing on the growing amount of data produced during the project. The models will be validated e.g. by comparison with measurements of redox potentials for known chemistries, or measurement data of RFB half-cells and lab-sized test cells.SONAR will work closely with industrial partners (incl. JenaBatteries, Volterion) to ensure the commercial viability of the results. The models will be exploited individually and in a comprehensive screening service offered by Fraunhofer SCAI, facilitating the rapid assessment of the technical and economic potential of a new technology in its earliest development stages. This will reduce the cost and time-to-market, thus strengthening the competitiveness of the EU’s battery industry in the emerging field of organic RFBs. Fields of science natural scienceschemical scienceselectrochemistryelectric batteries Keywords organic redox flow battery linked models high-throughput screening modelling simulation density functional theory kinetic monte carlo techno-economics cell system stack battery system Programme(s) H2020-EU.3.3. - SOCIETAL CHALLENGES - Secure, clean and efficient energy Main Programme H2020-EU.3.3.4. - A single, smart European electricity grid Topic(s) LC-BAT-3-2019 - Modelling and simulation for Redox Flow Battery development Call for proposal H2020-LC-BAT-2019-2020 See other projects for this call Sub call H2020-LC-BAT-2019 Funding Scheme RIA - Research and Innovation action Coordinator FRAUNHOFER GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG EV Net EU contribution € 918 900,00 Address HANSASTRASSE 27C 80686 Munchen Germany See on map Region Bayern Oberbayern München, Kreisfreie Stadt Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 918 900,00 Participants (6) Sort alphabetically Sort by Net EU contribution Expand all Collapse all DANMARKS TEKNISKE UNIVERSITET Denmark Net EU contribution € 392 335,00 Address ANKER ENGELUNDS VEJ 101 2800 Kongens Lyngby See on map Region Danmark Hovedstaden Københavns omegn Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 392 335,00 CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS France Net EU contribution € 220 200,00 Address RUE MICHEL ANGE 3 75794 Paris See on map Region Ile-de-France Ile-de-France Paris Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 356 550,00 Third-party Legal entity other than a subcontractor which is affiliated or legally linked to a participant. The entity carries out work under the conditions laid down in the Grant Agreement, supplies goods or provides services for the action, but did not sign the Grant Agreement. A third party abides by the rules applicable to its related participant under the Grant Agreement with regard to eligibility of costs and control of expenditure. UNIVERSITE DE PICARDIE JULES VERNE France Net EU contribution € 136 350,00 Address CHEMIN DU THIL 80025 Amiens See on map Region Hauts-de-France Picardie Somme Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 136 350,00 ZURCHER HOCHSCHULE FUR ANGEWANDTE WISSENSCHAFTEN Switzerland Net EU contribution € 390 700,00 Address GERTRUDSTRASSE 15 8401 Winterthur See on map Region Schweiz/Suisse/Svizzera Zürich Zürich Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 390 700,00 KARLSRUHER INSTITUT FUER TECHNOLOGIE Germany Net EU contribution € 327 500,00 Address KAISERSTRASSE 12 76131 Karlsruhe See on map Region Baden-Württemberg Karlsruhe Karlsruhe, Stadtkreis Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 327 500,00 UNIVERSITY OF NEW SOUTH WALES Australia Net EU contribution € 0,00 Address ANZAC PARADE 2052 Sydney See on map Activity type Higher or Secondary Education Establishments Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 434 550,00