Online conference - Validation of Fuel Cells, Electrolysers and Batteries 17th Symposium on Modeling and Experimental - EPFL

 
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Online conference - Validation of Fuel Cells, Electrolysers and Batteries 17th Symposium on Modeling and Experimental - EPFL
17th Symposium on Modeling and Experimental
   Validation of Fuel Cells, Electrolysers and
                    Batteries

             Online conference

                  20-21-22 April 2021
           EPFL Valais/Wallis, Sion, Switzerland

                  email : modval17@epfl.ch
               website : https://modval17.epfl.ch

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Online conference - Validation of Fuel Cells, Electrolysers and Batteries 17th Symposium on Modeling and Experimental - EPFL
WELCOME

Welcome to the 3-day Symposium on Modeling and Experimental
Validation of Fuel Cells, Electrolysers and Batteries organised by EPFL Valais/Wallis,
Sion, Switzerland, the 17th of the established annual event initiated in 2004 by the
Swiss Federal Energy Office (BfE / OFEN). Due to the pandemic, the Symposium
planned originally for March 2020 had to be cancelled to become an online event
in April 2021, restarting the abstract submission process anew.

We are happy to present a programme with 90 oral contributions:
   - common purple session A with 7 invited talks
   - parallel red session B on Batteries
   - parallel blue session C on Fuel Cells and Electrolysers.
All speakers, especially the distinguished invited speakers, are most gratefully
thanked for their contributions to MODVAL17.

Special thanks are due to our EPFL IT-specialist Jean Perruchoud and the EPFL-
GEM Group administratrix Chantal Donaghey for their relentless efforts in
organising this event. On behalf of the EPFL GEM Group we wish you a successful
and enjoyable MODVAL17 Symposium.

MER Dr Jan Van herle
EPFL Group of Energy Materials (GEM)
Rue de l’Industrie 17
EPFL Valais/Wallis
1951 Sion, Switzerland
jan.vanherle@epfl.ch
http://gem.epfl.ch
+41 21 695 82 63

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Online conference - Validation of Fuel Cells, Electrolysers and Batteries 17th Symposium on Modeling and Experimental - EPFL
MODVAL17 - PROGRAMME - EPFL Valais/Wallis Sion
                                      Tuesday, 2021-04-20
09:00   Welcome
09:10                                         Invited A1, A2
10:20   Morning break
10:40   B1 Battery modeling                          C1 PEMFC degradation
12:00   Lunch
13:30   B2 Battery degradation                       C2 PEMFC water management / GDL
14:30   Afternoon break
14:50   B3 Redox flow batteries                      C3 Solid oxide cells microstructures
16:30   Short pause
16:40                                           Invited A3
17:15   End of Day 1

                                  Wednesday, 2021-04-21
08:40   B4 Battery microstructures                    C4 PEMFC modeling
10:20   Morning break
10:45                                           Invited A4
11:20   B5 Battery modeling                            C5 Water Electrolysis
12:20   Lunch
14:00   B6 Battery diagnostics                        C6 Fuel Cells materials search & testing
15:20   Afternoon break
15:40   B7 Battery thermal behaviour                  C7 Steam electrolysis (Solid Oxide)
17:20   End of Day 2

                                     Thursday, 2021-04-22
09:00                                         Invited A5, A6
10:10   Morning break
10:30   B8 Battery microstructures                   C8 PEMFC diagnostics
11:50   Lunch
13:30   B9 Battery modeling                          C9 PEMFC water management
15:10   Afternoon break
15:30   B10 Battery microstructures                  C10 PEMFC systems
17:00   Short pause
17:10                                           Invited A7
17:45   End of Day 3
17:50                                   Announcement MODVAL2022
18:00   End of Symposium

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Online conference - Validation of Fuel Cells, Electrolysers and Batteries 17th Symposium on Modeling and Experimental - EPFL
Day 1 - Tuesday 20th April 2021, morning
        Opening Session – Invited talks
9:00    Welcome and Intro (J. Van herle – EPFL Valais/Wallis)
9:10    A1 Prof Dr Ulrike Krewer (KIT, IAM-ET, Karlsruhe, Germany) ulrike.krewer@kit.edu
        Understand Your Electrodes: Reaction Kinetic Modeling
9:45    A2 Dr Clemens Fink (AVL List GmbH, 8020 Graz, Austria) clemens.fink@avl.com
        PEM Fuel Cell Simulation with AVL FIRE™ – Latest Developments and Application Examples
10:20   Morning break 20’
        B1 Battery modeling                                                                 C1 PEMFC Degradation
        Chair: U Krewer                                                                     Chair: C Fink
10:40   Heterogenous vs Homogenous Battery Models                                           Modelling start-up in automotive PEMFC: evaluation of
        Henrik Ekström                                                                      mitigation strategies and experimental validation
        COMSOL AB, Tegnérgatan 23, 111 40 Stockholm, Sweden                                 E. Colombo, A. Bisello, A. Casalegno, A. Baricci
        henrik.ekstrom@comsol.com                                                           Politecnico di Milano, Department of Energy
                                                                                            MRT Fuel Cell & Battery Laboratory
                                                                                            via Lambruschini 4a, 20156 Milano, Italy
                                                                                            elena.colombo@polimi.it
11:00   Local microstructure-induced fluctuations in Li-Ion battery:                        Coupled models for PEMFC membrane degradation to bipolar
        theory and simulations                                                              plate corrosion
        Igor Traskunov1,2, Arnulf Latz1,2,3 - igor.traskunov@dlr.de                         Imen Elferjani1,2, Benoît Ter Ovanessian2, Bernard Normand2, Guillaume Serre1
        1DLR, Institute of Engineering Thermodynamics, 70569 Stuttgart, Germany             1CEA-DRT-LITEN, Grenoble, France - imenlferjani@gmail.com
        2Helmholtz Institut Ulm (HIU), 89081 Ulm, Germany                                   2Université de Lyon, INSA-LYON, MATEIS UMR CNRS 5510, 69621
        3Institute of Electrochemistry, University of Ulm, 89081 Ulm, Germany               Villeurbanne, France

11:20   Asymptotic Methods for the Estimation of Lithium Transport                          Hydrocarbon Fuel Cell Membranes:
        Properties in Lithium-Ion Batteries                                                 Can Radical Induced Damage be Repaired ?
        F. Brosa Planella1,2, W.D. Widanage1,2 - Ferran.Brosa-Planella@warwick.ac.uk        L. Gubler1, T. De Wild1,2, T. Nemeth1,2, T.J. Schmidt1,4, T. Nauser2
        1 WMG, University of Warwick, Gibbet Hill Road, Coventry, CV4 7AL, UK               1Paul Scherrer Institut, Electrochemistry Laboratory, 5232 Villigen PSI, CH
        2 The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus,              2Laboratory of Inorganic Chemistry, ETH Zürich, 8093 Zürich, Switzerland

        Didcot, OX11 0RA                                                                    4Laboratory of Physical Chemistry, ETH Zürich, 8093 Zürich, Switzerland

                                                                                            lorenz.gubler@psi.ch
11:40   Swelling of SiC / graphite blended electrodes: modelling and                        Degradation Mechanisms of Catalyst-Layers in PEM Fuel Cells
        experimental measurements                                                           and Increase of Vehicle Life
        B. Mathieu, C. Leys, D. Vidal, W. Porcher, O. Gillia, M. Chandesris                 J. Trägner, M. Pollak , S. Heinke , W. Tegethoff , J. Köhler
        Univ. Grenoble Alpes, CEA, LITEN, F-38054 Grenoble                                  TU Braunschweig, Institut für Thermodynamik, Hans-Sommer-Straße 5, 38106
        benoit.mathieu@cea.fr                                                               Braunschweig, Germany
                                                                                            j.traegner@tu-braunschweig.de

12:00   Lunch break for 1h30’
                                                        Tuesday 20th April 2021, afternoon
        B2 Battery degradation                                                              C2 PEMFC H2O management / GDL
        Chair:                                                                              Chair: P Boillat
13:30   Efficient Simulation of Chemical-Mechanical Coupling in Battery                     The Inhomogeneous Distribution of Polytetrafluorethylene in the
        Active Particles                                                                    Gas Diffusion Layers of Polymer Electrolyte Fuel Cells
        G.F. Castelli1, L. von Kolzenberg2,3, B. Horstmann2,3, A. Latz2,3,4, W. Dörfler1   D. Froning1, U. Reimer1, and W. Lehnert1,2
        1Karlsruhe Institute of Technology (KIT), Institute of Applied and Numerical        1Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research,

        Mathematics, 76131 Karlsruhe, Germany                                               IEK-14: Electrochemical Process Engineering, D-52425 Jülich, Germany
        2DLR, Institute of Engineering Thermodynamics, 70569 Stuttgart, Germany             2Modeling in Electrochemical Process Engineering, RWTH Aachen University,
        3Helmholtz Institute Ulm (HIU), 89081 Ulm, Germany                                  D-52056 Aachen, Germany
        4Ulm University (UUlm), 89081 Ulm, Germany                                          d.froning@fz-juelich.de
        fabian.castelli@kit.edu
13:50   Elucidating the species distribution during SEI formation using                     3-D simulation of heat and water transport in PEFCs during
        kinetic Monte Carlo                                                                 evaporative cooling and humidification
        M. Gerasimov1, F.A. Soto2 , J. Wagner1 , P. B. Balbuena2 , U. Krewer1               R. Herrendörfer*1, M. Cochet2, P. Boillat2 J.O. Schumacher1
        1 Karlsruhe Inst. of Technology, IAM – Electrochemical Technologies,                1ZHAW, Institute of Computational Physics, CH-8401 Winterthur

        Karlsruhe, D                                                                        2Electrochemistry Laboratory, Paul Scherrer Institute, CH-5232 Villigen
        2 Texas A&M University, Dpmt of Chemical Engineering, College Station, USA          robert.herrendoerfer@zhaw.ch
        michail.gerasimov@kit.edu
                                                                                            cancelled
14:10   A physics-based aging model for life prediction of blended
        anodes with Si-C composites
        P-F Lory1,*, B. Mathieu1, M. Grand-Jacques1, S. Genies1, M. Hubert1, Y.
        Reynier1, A. Boulineau1, D. Thomas1, W. Hong2, M. Chandesris1
        1Univ. Grenoble Alpes, CEA, LITEN, F-38054 Grenoble, France
        2Samsung Electronic Inc. SAIT, South Korea
        *Present affiliation : Automotive Cells Co. Centre R&D – 33520 Bruges - F

        marion.chandesris@cea.fr

14:30   Afternoon break 20’

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Online conference - Validation of Fuel Cells, Electrolysers and Batteries 17th Symposium on Modeling and Experimental - EPFL
B3 Redox Flow Batteries                                                            C3 Solid oxide cells microstructures
        Chair:                                                                             Chair: J Laurencin
14:50   Towards rigorous thermodynamics in aqueous flow batteries:                         Massive Simultaneous Cloud Computing for data driven
        measuring activity coefficients with differential scanning                         optimization of SOFC electrodes
        calorimetry                                                                        L. Holzer1, P. Marmet1 , T. Hocker1 , G. Boiger1 , J.G. Grolig2 , H. Bausinger2 ,
        Gaël Mourouga1, Mathieu Courty2, Emmanuel Baudrin2, Thomas J.Schmidt3,            A. Mai2 , M. Fingerle3 , J. M. Brader4
                                                                                           1Zurich University of Applied Sciences (ZHAW), Switzerland
        Jürgen O. Schumacher1 - mouo@zhaw.ch
        1ZHAW, Institute of Computational Physics, 8400 Winterthur, Switzerland            2Hexis AG, Switzerland

        2Laboratoire de Réactivité et Chimie des Solides (LRCS), UMR CNRS 7374,            3Math2Market, Germany
                                                                                           4University of Fribourg, Switzerland
        Univ. de Picardie Jules Verne, 33 rue Saint-Leu, 80039 Amiens Cedex, France
        3Paul Scherrer Institut, Energy & Environment Division, 5232 Villigen, CH          holz@zhaw.ch

15:10   Effects of the diffusive mixing and self-discharge reactions in                    3-D morphology-based modeling of Ni-YSZ electrodes
        membraneless redox flow batteries                                                  microstructural evolution in solid oxide cells
        Santiago E. Ibáñez León1, Alberto E. Quintero3, Pablo A. García-Salaberri2,        Hamza Moussaoui1, Arata Nakajo1, Giorgio Rinaldi1, Maxime Hubert2, Jérôme
        Jesús Palma1, Rebeca Marcilla1, Paula Navalpotro1, Marcos Vera2                    Laurencin2, Jan Van herle1
        1Electrochemical Processes Unit, IMDEA Energy Institute, Avda. Ramón de La         1Group of Energy Materials, École Polytechnique Fédérale de Lausanne, 1015

        Sagra 3, 28935, Móstoles, Spain - santiago.ibanez@imdea.org                        Lausanne, Switzerland
        2Fluid Mechanics Dep., Univ. Carlos III de Madrid, 28911, Leganés, Spain.          2Univ. Grenoble Alpes, CEA/LITEN, 17 rue des Martyrs, 38054, Grenoble, F
        3Micro Electrochemical Technologies, Federico Cantero Villamil, 2-B, 28935,        hamza.moussaoui@epfl.ch
        Móstoles, Spain

15:30   Thermodynamics and diffusional mass transport problems in                          Generalized Nernst-Planck-Poisson Model of Solid Oxide
        concentrated electrolytes – an application in H2/Br2 redox flow                    YSZ|LSM|O2 Electrode Interface
        battery simulations                                                                P. Vágner1, V. Miloš2,3, D. Budáč3, M. Carda3, M. Paidar3, J. Fuhrmann1, K.
        Jakub Wlodarczyk1, Norman Baltes2, Andreas Friedrich3, J. O. Schumacher1           Bouzek3 - petr.vagner@wias-berlin.de
        1ZHAW, Institute of Computational Physics, 8401 Winterthur, Switzerland            1Weierstrass Institute for Applied Analysis and Stochastics, 10117-Berlin, D

        2Fraunhofer Institute for Chemical Technology, Joseph-von-Fraunhofer-Strasse       2Mathematical Institute, Charles University, 12116-Prague, Czechia
                                                                                           3Department of Inorganic Technology, University of Chemistry and Technology,
        7, 76327 Pfinztal, Germany - jakub.wlodarczyk@zhaw.ch
        3German Aerospace Center, Institute of Engineering Thermodynamics,                 16628-Prague, Czechia
        Electrochemical Energy Technology, Pfaffenwaldring 38-40, 70569 Stuttgart, D

15:50   How pillar electrodes enhance redox flow batteries
        M. De Rop , J. Hereijgers ,T. Breugelmans
                                                                                           Model based optimization of CGO anodes
                                                                                           P. Marmet1, L. Holzer1, J.G. Grolig2, H. Bausinger2, A. Mai2, J. M. Brader3, T.
        University of Antwerp, Faculty of Applied Engineering                              Hocker1 - mame@zhaw.ch
        Applied Electrochemistry and Catalysis (ELCAT)                                     1ZHAW, Inst. of Computational Physics, 8400, Winterthur, Switzerland

        2610-Wilrijk, Belgium                                                              2Hexis AG, CH-8404 Winterthur, Switzerland
                                                                                           3University of Fribourg, Department of Physics, CH-1700 Fribourg, Switzerland

16:10   Multiphysics modelling of vanadium redox flow batteries                            free
        V. Muñoz1*, S. Berling2, P.A. García-Salaberri1, S.E. Ibañez1, E. García2, J.
        Palma2, M. Vera1 - vamunozp@ing.uc3m.es
        1Universidad Carlos III de Madrid, Department of Thermal and Fluid Mechanics

        Engineering, 28911-Leganés, Spain
        2IMDEA Energía, Unit of Electrochemical Processes, 28935-Móstoles, Spain

16:30   Short transition break
16:40   A3 Dr Jérôme Laurencin (CEA, Grenoble) jerome.laurencin@cea.fr
        Impact of Microstructure and Reaction Mechanisms on Solid Oxide Cell Performances and Degradation
        E. Effori1, F. Monaco1, H. Moussaoui1, M. Hubert1, D. Ferreira Sanchez2, P. Cloetens3, J. Laurencin1 - jerome.laurencin@cea.fr
        1Univ. Grenoble Alpes, CEA/LITEN, F-38054 Grenoble, France
        2Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland
        3European Synchrotron Radiation Facility (ESRF), 38000, Grenoble, France

17:15                                                           End of Programme, Day 1

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Online conference - Validation of Fuel Cells, Electrolysers and Batteries 17th Symposium on Modeling and Experimental - EPFL
Day 2 – Wednesday 21st April 2021, morning
        B4 Battery microstructures                                                       C4 PEMFC modeling
        Chair: V Schmidt                                                                 Chair: J Schumacher
09:00   Parametric 3D representation of curved grain boundaries with                     Efficient Open Source Model for PEM Fuel Cell Stacks
                                                                                         L. Feierabend, J. Wartmann, A. Heinzel
        measurement uncertainties
        L.Petrich1, C.E. Krill III2, V. Schmidt1 - lukas.petrich@uni-ulm.de              The fuel cell research center ZBT GmbH, 47057 Duisburg, Germany
        1Ulm University, Institute of Stochastics, 89069 Ulm, Germany                    University of Duisburg-Essen, Lehrstuhl Energietechnik, 47057 Duisburg, D
        2Ulm University, Institute of Functional Nanosystems, 89081 Ulm, Germany         l.feierabend@zbt.de

09:20   Towards a 3D Digital Twin of Li-Ion Battery Manufacturing: from                  Two-dimensional, two-phase, non-isothermal model of proton
        the slurry to the Electrochemical Performance                                    exchange membrane fuel cell
        Teo Lombardo1,2, Alain N. Ngandjong1,2, Emiliano N. Primo1,2, Mehdi              A. Monteverde1, O. B. Rizvandi2
        Chouchane1,2, Abbos Shodiev1,2, Oier Arcelus1,2, Alejandro A. Franco1,2,3,4      1Politecnico di Torino, Department of Applied Science and Technology (DISAT),
        1Laboratoire de Réactivité et Chimie des Solides (LRCS), UMR CNRS 7314,          Corso Duca degli Abruzzi 24, 10129 Torino (TO), Italy
        Université de Picardie Jules Verne, 80039 Amiens Cedex, France                   2 Technical University of Denmark, Department of Energy Conversion and
        2Réseau sur le Stockage Electrochimique de l’Energie (RS2E), FR CNRS 3459,       Storage, Bygning 310, 2800 Lyngby, Danmark
        Hub de l’Energie, 15, rue Baudelocque, 80039 Amiens Cedex, France                alessandro.monteverdevidela@polito.it
        3ALISTORE-European Research Institute, FR CNRS 3104, Hub de l’Energie,

        15, rue Baudelocque, 80039 Amiens Cedex, France
        4Institut Universitaire de France, 103 Boulevard Saint Michel, 75005 Paris, F

        teo.lombardo@u-picardie.fr , alejandro.franco@u-picardie.fr

09:40   Numerical Investigations on the Influence of Particle Porosity on                Box-Jenkins Autoregressive Models for PEMFC Operating on
        the Performance of Positive Lithium-Ion Battery Electrodes                       Dynamical Conditions
        S. Cernak, F. Schuerholz , M. Kespe , H. Nirschl - susanne.cernak@kit.edu        J.A. Aguilar, A. Husar, J. Andrade-Cetto
        Karlsruhe Institute of Technology, Department of Chemical and Process            Inst. de Robòtica i Informàtica Industrial, CSIC-UPC, 08028-Barcelona, Spain
        Engineering, Institute of Mechanical Process Engineering and Mechanics,          jaguilar@iri.upc.edu
        Division Process Machines, Kaiserstraße 12, 76131 Karlsruhe, Germany

10:00   Stochastic 3D microstructure modeling of nanoporous NMC-                         An analytical model for liquid and gas diffusion layers in
        particles                                                                        electrolyzers and fuel cells
        M. Neumann1, S. Wetterauer2, M. Osenberg3, A. Hilger3, A. Wagner4, N. Bohn4,     A. Rajora, J.W. Haverkort
        J.R. Binder4,I. Manke3,T. Carraro5,V. Schmidt1 - matthias.neumann@uni-ulm.de     Delft University of Technology, Energy Technology, Process and Energy
        1Institute of Stochastics, Ulm University, 89069 Ulm, Germany                    Laboratory, Leeghwaterstraat 39, 2628 CB, Delft, The Netherlands
        2Institute of Applied Mathematics, Heidelberg University, 69120 Heidelberg, D    A.Rajora@tudelft.nl, J.W.Haverkort@tudelft.nl
        3Institute of Applied Materials, Helmholtz-Zentrum Berlin, 14109 Berlin, D
        4Institute for Applied Materials, KIT, 76344 Eggenstein-Leopoldshafen, D
        5Faculty of Mech. Eng., Helmut Schmidt University, 22043 Hamburg, D

10:20   Morning break 20’
        A4 Dr Mohamed Mamlouk (Univ. Newcastle, UK) - mohamed.mamlouk@newcastle.ac.uk
10:40
        Performance and stability of radiation grafted based anion exchange membrane electrolysers
11:15   Short transition break
        B5 Battery modeling                                                              C5 Water Electrolysis
        Chair: B Horstmann                                                               Chair: (M Mamlouk)
        Modelling of Lithium Ion Batteries with Silicon Anode and Ionic
        Liquid Electrolyte                                                               Pore Network Modelling of Anodic Porous Transport Layer in
        Franziska Kilchert1,2, Birger Horstmann1,2,3, Arnulf Latz1,2,3                   Electrolysers
        1Helmholtz Institute Ulm, Helmholtzstraße 11, 89081 Ulm, Germany                 H. Altaf1,2, N. Vorhauer1, T. Vidakovic-Koch2, E. Tsotsas1
11:20   2German Aerospace Center, Pfaffenwaldring 38, 70569 Stuttgart, Germany           1Otto von Guericke Univ., Inst. of Process Engineering, 39106 Magdeburg, D
        3University of Ulm, Albert-Einstein-Allee 47, 89081 Ulm, Germany                 2Max Planck Institute (Dynamics of Complex Systems), 39106 Magdeburg, D

        franziska.kilchert@dlr.de                                                        haashir.altaf@ovgu.de

        Improved performance of Li-ion battery simulations by                            Limiting current and electro-osmotic flows in alkaline water
        separation of timescales                                                         electrolysis
        Jan Lammel, Jochen Zausch                                                        J.W. Haverkort1, H.Rajaei
11:40   Fraunhofer Institute for Industrial Mathematics, 67663 Kaiserslautern, Germany   Delft University of Technology, 3mE, Process & Energy, 2628 CB, Delft, NL
        jan.lammel@itwm.fraunhofer.de                                                    j.w.haverkort@tudelft.nl

        Advancing Ion Mobility in Battery Materials by Dedicated                         Closed loop energy, fuel and oxygen co-generation with a
                                                                                         reversible photo-electrochemical device
        Computational Approaches
                                                                                         A. Cattry1, S. Tembhurne2, S. Haussener1
        S. Leoni1 and B. Hou2
12:00   1School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK
                                                                                         1EPFL, (STI), (IGM), (LRESE), 1015-Lausanne, Switzerland
                                                                                         2SoHHytec SA, Chemin de la Raye 13, 1024-Ecublens, Switzerland
        2School of Physics and Astronomy, Cardiff University, Cardiff, CF24 3AA
                                                                                         alexandre.cattry@epfl.ch
        leonis@cf.ac.uk

12:20   Lunch Break for 1h30’

                                                                                  6
Online conference - Validation of Fuel Cells, Electrolysers and Batteries 17th Symposium on Modeling and Experimental - EPFL
Wednesday 21st April 2021, afternoon
        B6 Battery diagnostics                                                            C6 Fuel Cells testing & diagnostics
        Chair: (D Howey)                                                                  Chair: (A Friedrich)
                                                                                          free
13:50   Optimizing lithium-ion battery P2D model calibration through
        sensitivity analysis of physical parameters
        G. Sordi, C. Rabissi1 A. Innocenti, A. Casalegno - gabriele.sordi@polimi.it
        Politecnico Milano, Dpt of Energy, MRT Fuel Cell&Battery Lab, 20156- Milano

14:10   Cell configuration optimisation for operando Raman                                Full Factorial Characterization of PEMFC Properties in
        spectroscopy of Li-ion and Na-ion electrodes by 2D+1D                             Differential Cells
        electrochemical simulation                                                        Christophe Gerling1,2, Matthias Hanauer1, Ulrich Berner1, K. Andreas
        E.J.F. Dickinson1, T.E. Rosser1, R. Raccichini1, K. Hunter2, A.D. Searle2, C.M.   Friedrich2,3 - christophe.gerling@de.bosch.com
                                                                                          1Robert Bosch GmbH, Robert-Bosch-Campus 1, 71272 Renningen, Germany
        Kavanagh2, P.J. Curran2, G. Hinds1, J. Park1, A.J. Wain1
        1National Physical Laboratory, Hampton Road, Teddington TW11 0LW, UK              2Institute of Building Energetics, Thermal Engineering and Energy Storage

        2Deregallera Ltd, Unit 2 De Clare Court, Pontygwindy Industrial Estate,           (IGTE), University of Stuttgart, Keplerstraße 7, Stuttgart 70550, Germany
                                                                                          3German Aerospace Center, Institute of Engineering Thermodynamics,
        Caerphilly CF83 3HU, UK
        edmund.dickinson@npl.co.uk                                                        Pfaffenwaldring 38-40, 70569 Stuttgart, Germany

14:30   Physicochemical SEI model for cell diagnosis with C-rate and                      Distribution of voltage and current density in JRC ZERO∇CELL:
        EIS data                                                                          a single cell testing hardware for PEM fuel cells
        D. Witt1,2,3, F. Röder4, U. Krewer2 - d.witt@tu-braunschweig.de                   T. Bednarek
        1TU Braunschweig, Institute of Energy and Process Systems Engineering,            European Commission, Joint Research Centre (JRC), Directorate C Energy
        38106–Braunschweig, Germany                                                       Transport and Climate, The Netherlands
        2Karlsruhe Institute of Technology, Institute for Applied Materials –             Tomasz.Bednarek@ec.europa.eu
        Electrochemical Technologies, 76131–Karlsruhe, Germany
        3Battery LabFactory Braunschweig, 38106–Braunschweig, Germany
        4University of Bayreuth, Electrical Energy Systems, 95447–Bayreuth, Germany

14:50   Early degradation identification of lithium-ion batteries via                     Voltage drop study of a SOFC stack at low currents and flows
                                                                                          M. Serra1, H. Renaudineau3, A. Husar1, R. Costa-Castelló1, L. Bernadet2, M.
        thermal diagnostics
        Jie Lin, H.N. Chu, C.W. Monroe, D.A. Howey                                        Torrell2 - maria.serra@upc.edu
                                                                                          1 Inst de Robòotica i Informàtica Industrial, CSIC-UPC, 08028-Barcelona, Spain
        University of Oxford, Department of Engineering Science, OX1 3PJ, Oxford,
                                                                                          2 Inst de Recerca en Energia de Catalunya, 08930-Sant Adrià del Besòs, Spain
        United Kingdom
                                                                                          3 Univ Técnica Federico Santa María (Electronics Eng. Dep.), Valparaíso, Chile
        jie.lin@eng.ox.ac.uk

15:10   Afternoon break 20’
        B7 Battery thermal behaviour                                                      C7 Solid Oxide Electrolysis
        Chair: E Dickinson                                                                Chair: J Van herle
15:30   Thermal Control Platform: building better temperature control                     Optimizing the performance of solid oxide electrolysis cells and
        for battery model parameterisation                                                stacks for Power-to-Gas applications
        E.V. Brouillet1, D.J. Auger2, B. Edwards1, A. Hales3, J. Kay1, S. Mores1, G.      L. Wehrle1, D. Schmider1,2, J. Dailly2, A. Banerjee3, O. Deutschmann1
        Offer3, Z. Zhihuo2                                                                1Kalrsruhe Institute of Technology (KIT), Institute for Chemical Technology and
        1Thermal Hazard Technology, MK11SW, Bletchley, UK                                 Polymer Chemistry (ITCP), 76131 Karlsruhe, Germany
        2Cranfield Univ, Advanced Vehicle Engineering Centre, MK430AL Cranfield, UK       2European Institute for Energy Research (EIFER), 76131 Karlsruhe, Germany
        3Imperial College London, Dpt. of Mechanical Engineering, SW72AZ, UK              3University of Twente, Faculty of Science and Technology, Catalytic Processes

        etienne@thtuk.com                                                                 and Materials, 7522 NB Enschede, the Netherlands
                                                                                          lukas.wehrle@kit.edu
15:50   Multi-scale modelling for the security of lithium-ion batteries
        Ridha Omrani, Didier Buzon, Philippe Azais
                                                                                          Modeling of Solid Oxide Electrolysis Stacks under High-
                                                                                          Pressure Operation
        University Grenoble Alpes, CEA-LITEN, F-38054 Grenoble, France                    O. B. Rizvandi, H. L. Frandsen - obari@dtu.dk
        ridha.omrani@cea.fr                                                               Department of Energy Conversion and Storage, Technical University of
                                                                                          Denmark (DTU), Build- ing 310, Fysikvej, DK-2800 Lyngby, Denmark

16:10   Multi-scale modelling of Li-ion batteries: simulating outbreak of                 Solar-Integrated High-Temperature Electrolysis Reactor
        the thermal runaway                                                               Operating With Concentrated Irradiation
        T. Katrašnik, I. Mele, K. Želič                                                   Clemens Suter1, Meng Lin1,2, Sophia Haussener1 - sophia.haussener@epfl.ch
        University of Ljubljana, Faculty of Mechanical Engineering, Laboratory for        1Laboratory of Renewable Energy Science and Engineering, STI, EPFL, 1015-

        Internal Combustion Engines and Electromobility, 1000-Ljubljana, Slovenia         Lausanne, Switzerland
        tomaz.katrasnik@fs.uni-lj.si                                                      2Department of Mechanical and Energy Engineering, Southern University of

                                                                                          Science and Technology, Shenzhen, China

16:30   Simulating power tool battery packs: a case study with practical                  Transient CFD Simulation of Reversible SOC Operation in a 3D
        relevance                                                                         Stripe Model
        V. Steinbauer, V. Knoblauch - veit.steinbauer@hs-aalen.de                         S. Herrmann, T. Van Lo, H. Spliethoff
        Aalen University, Materials Research Institute (IMFAA), Battery Research          Technical University of Munich, Chair for Energy Systems, 85748, Germany
        Group, 73430 Aalen, Germany                                                       stephan.herrmann@tum.de

16:50   Low Temperature Batteries for Deep Space Missions                                 Numerical analysis of lock-in thermography applied to solid
        Lukas Lehnert1,2, Birger Horstmann1,2,3, Arnulf Latz1,2,3                         oxide cells
        1Helmholtz Institute Ulm, Helmholtzstraße 11, 89081 Ulm, Germany
                                                                                          Guillaume Jeanmonod, Jan Van herle
        2German Aerospace Center, Pfaffenwaldring 38, 70569 Stuttgart, Germany
                                                                                          Group of Energy Materials, École Polytechnique Fédérale de Lausanne, 1015
        3University of Ulm, Albert-Einstein-Allee 47, 89081 Ulm, Germany
                                                                                          Lausanne, Switzerland
        lukas.lehnert@dlr.de                                                              guillaume.jeanmonod@epfl.ch

17:10                                                          End of Programme, Day 2

                                                                                  7
Online conference - Validation of Fuel Cells, Electrolysers and Batteries 17th Symposium on Modeling and Experimental - EPFL
Day 3 - Thursday 22nd April 2021, morning
9:10    A5 Prof Dr Jun Lin (NCEPU, Beijing) - jun.lin@ncepu.edu.cn
        Performance improvement of nanocomposite proton exchange membranes filled with water insoluble
        heteropoly acid-based nanohybrids
9:45    A6 Dr Gregory Offer (Imperial College London, UK) - gregory.offer@imperial.ac.uk
        The Cell Cooling Coefficient: a new standard to define the thermal behavior of lithium-ion batteries and
        how to design better cells
        Alastair Hales1, Laura Bravo Diaz1, Mohamed Waseem Marzook1, Yan Zhao1, Teng Zhang3, Yatish Patel1,2, Gregory Offer1,2
        1 Department of Mechanical Engineering, Imperial College London, London, United Kingdom, SW7 2AZ
        2 The Faraday Institution, Quad One, Harwell Science and Innovation Campus, Didcot, UK
        3 Department of Mechanical Engineering, University of Surrey, Guildford, United Kingdom, GU2 7XH

10:20   Morning break 20’
        B8 Battery microstructures                                                          C8 PEMFC Diagnostics
        Chair: F Röder                                                                      Chair: J Eller
10:40   Design and manufacturing of lithium-ion battery electrodes                          Noninvasive Determination of local Membrane Conductivity in
        assisted by image-based modelling                                                   Polymer Electrolyte Fuel Cells based on a Finite Element Model
        Xuekun Lu1,2,3, Antonio Bertei4, Marco Lagnoni4, Kieran B O’Regan3,5, Juyeon        A. Schuller1, T. J. Schmidt1,2, J. Eller1
        Park2, Gareth Hinds2, Emma Kendrick3,5, Dan JL Brett1,3, Paul R Shearing1,3         1Electrochemistry Laboratory, Paul Scherrer Institut, Forschungstrasse 111,
        1Electrochemical Innovation Lab, Department of Chemical Engineering,                5232, Villigen PSI, Switzerland
        University College London, London, WC1E 7JE, UK - xuekun.lu@ucl.ac.uk               2Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 1-5/10,
        2Natl Physical Laboratory, Hampton Rd, Teddington, Middlesex,TW11 0LW, UK           8093, Zürich, Switzerland
        3The Faraday Institution, Quad One, Harwell Science and Innovation Campus,          arnaud.schuller@psi.ch
        Didcot, OX11 0RA, UK
        4Dptm of Civil and Industrial Engineering, University of Pisa, Pisa, 56122, Italy
        5School of Metallurgy & Materials, Univ. Birmingham, Birmingham B15 2TT, UK

11:00   Artificial generation of representative electrode particle                          Online Impedance Measurements as a Testing Tool
        architectures from microscopy data                                                  J. Scholta1 , P. Küber1 , H. Knaupp1 , A. Wais2 , A. Kabza1 , L. Jörissen1
                                                                                            1Zentrum für Sonnenenergie- und Wasserstoff-Forschung (ZSW), 89081 Ulm,
        O. Furat1, D. P.Finegan2    , K.
                                      Smith2   , V.
                                                  Schmidt1  - orkun.furat@uni-ulm.de
        1 Ulm University, Institute of Stochastics, 89069-Ulm, Germany                      Germany - joachim.scholta@zsw-bw.de
        2 National Renewable Energy Laboratory, 80401-Golden, CO, USA                       2m-a-r-s Ingenieurbüro A. Wais, 89250 Senden, Germany

11:20   The importance of passive materials in thick Li-ion battery                         Observing Oxygen Transport in Polymer Electrolyte Water
        electrodes                                                                          Electrolysis via operando X-ray Tomography
        Tobias Knorr1,2, Simon Hein1,2, Benedikt Prifling3, Matthias Neumann3, Volker       S. De Angelis1, T. Schuler1, F. Marone2, F. N. Büchi1
        Schmidt3, Timo Danner 1,2, Arnulf Latz1,2,4 - tobias.knorr@dlr.de                   1Electrochemistry Laboratory, Paul Scherrer Institut, CH-5232 Villigen-PSI
        1Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU), Ulm, D           2Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen PSI
        2DLR, Institute of Engineering Thermodynamics, Stuttgart, Germany                   salvatore.de-angelis@psi.ch
        3Ulm University, Institute of Stochastics, Ulm, Germany
        4Ulm University, Institute of Electrochemistry, Ulm, Germany

11:40   Phase-field modeling of microstructure evolution in sodium-ion                      Validation of Small Angle X-ray Scattering Technique for
        batteries particles of NaxFePO4                                                     Catalyst Layer Saturation Determination
        Tao Zhang, Marc Kamlah - tao.zhang@kit.edu                                          K. Aliyah, L. Gubler, J. Eller - aliyah.kinanti@psi.ch
        Karlsruhe Institute of Technology, Institute for Applied Materials, 76344           Paul Scherrer Institut, Electrochemistry Laboratory, CH-5232 Villigen PSI
        Eggenstein-Leopoldshafen, Germany

12:00   Lunch break for 1h30’
                                                   Thursday 22nd April 2021, afternoon
        B9 Battery modeling                                                                 C9 PEMFC H2O management
        Chair: (H Ekström)                                                                  Chair: F Büchi
13:30   Modelling of electron-transfer kinetics in magnesium                                Understanding heterogeneous wettability in PEFC catalyst
        electrolytes: influence of the solvent on the battery performance                   layers using a structure-based model
        Janina Drews1,2, Piotr Jankowski3,4, Joachim Häcker1, Zhenyou Li2,5, Timo          W. Olbrich1,2,3, T. Kadyk1,4, U. Sauter2, M. Eikerling1,3,4
        Danner1,2,Juan Maria García Lastra3,Tejs Vegge3,Norbert Wagner1,K. Andreas          1 Theory and Computation of Energy Materials (IEK-13), Institute of Energy and

        Friedrich1,6, Zhirong Zhao-Karger2,5, Maximilian Fichtner2,5, Arnulf Latz1,2,7      Climate Research, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany
        1DLR, Institute of Engineering Thermodynamics, Stuttgart, Germany                   2 Robert Bosch GmbH, Corporate Research, 71272 Renningen, Germany
        2Helmholtz Institute Ulm for Electrochemical Energy Storage (HIU), Ulm, D           3 Chair of Theory and Computation of Energy Materials, Faculty of
        3Tech Univ Denmark (DTU), Dpmt Energy Conversion & Storage, Lyngby, DK              Georesources and Materials Engineering, RWTH Aachen University, 52062
        4Warsaw University of Technology (WUT), Faculty of Chemistry, Warsaw, POL           Aachen, Germany
        5KIT, Institute of Nanotechnology, Eggenstein-Leopoldshafen, Germany                4 Jülich Aachen Research Alliance, JARA Energy, 52425 Jülich, Germany
        6University of Stuttgart, Institute of Energy Storage, Stuttgart, Germany           wolfgang.olbrich@de.bosch.com
        7Univ. of Ulm, Institute of Electrochemistry, Helmholtzstraße 11, 89081 Ulm, D

        janina.drews@dlr.de

13:50   Concentration- and field-dependent susceptibility of electrolytes
        R. Müller, M. Landstorfer
                                                                                            Modelling coupled porous media/free flow/drop interaction in a
                                                                                            PEM fuel cell using a pore-net-work approach
        Weierstrass-Institute, 10117-Berlin, Germany                                        C. Michalkowski1, M. Veyskarami2 , V. Schleper1 , R. Helmig2
        Ruediger.Mueller@wias-berlin.de                                                     1 Robert Bosch GmbH, Corporate Research, 71272 Renningen, Germany
                                                                                            2 University of Stuttgart, Institute for Modelling Hydraulic and Environmental

                                                                                            Systems (IWS), Germany
                                                                                            cynthia.michalkowski@de.bosch.com
14:10   The Role of Energy Scales for the Structure of Electrochemical                      Gas-evolving flow-through electrode design and experiments
                                                                                            J.W. Haverkort, H.Rajaei, A. Rajora
        Double Layers in Ionic Liquids
                                                                                            1Delft University of Technology, 3mE, Process & Energy, 2628 CB, Delft, The
        Birger Horstmann1,2,3, Max Schammer1,2 , Arnulf Latz1,2,3
        1Helmholtz Institute Ulm, Helmholtzstraße 11, 89081 Ulm, Germany                    Netherlands
        2German Aerospace Center, Pfaffenwaldring 38, 70569 Stuttgart, Germany               j.w.haverkort@tudelft.nl
        3University of Ulm, Albert-Einstein-Allee 47, 89081 Ulm, Germany

        birger.horstmann@dlr.de

                                                                                    8
14:30   Discerning models of phase transformation in porous graphite                           Evaporative Cooling of Polymer Electrolyte Fuel Cells – A
        electrodes: insights from inverse modelling based on MRI                               System Level Analysis
        measurements                                                                           M. Striednig1, M. Cochet1, P. Boillat1,2, T.J. Schmidt1,3, F.N. Büchi1
                                                                                               1Electrochemistry Laboratory, Laboratory for Neutron Scattering and Imaging,
        Jose Morales Escalante1, William Ko1, Jamie Foster2, Sergey Krachkovskiy3,
        Gillian Goward3, B. Protas1 - bprotas@mcmaster.ca                                      Paul Scherrer Institut, 5232 Villigen PSI, Switzerland
        1McMaster University (Dept. of Math & Stats), L8S 4K1, Hamilton, ON, Canada            3Laboratory of Physical Chemistry, ETH Zürich, 8093 Zürich, Switzerland
        2Univ. of Portsmouth (School of Math & Physics), PO1 2UP, Portsmouth, UK               michael.striednig@psi.ch
        3McMaster University (Dept. of Chemistry), L8S 4K1, Hamilton, ON, Canada

14:50   Search for new electro-active organic materials: modelling                             free
        routes & strategies
        F. Lambert1,2,Y. Danten3,C. Gatti4, C. Frayret1,5,6 -christine.frayret@u-picardie.fr
        1Université de Picardie Jules Verne, Laboratoire de Réactivité et Chimie des

        Solides, UMR 7314 (LRCS), 15 rue Baudelocque, 80039 Amiens Cedex 1, F
        2French Environment and Energy Management Agency (ADEME) 20, avenue

        du Grésillé- BP 90406 49004 Angers Cedex 01, France
        3 Institut des Sciences Moléculaires, UMR CNRS 5255, 33405 Talence, France
        4CNR SCITEC, CNR, Sede Via C. Golgi, 19,20133 Milano, Italy
        5Réseau sur le Stockage Electrochimique de l’Energie (RS2E), FR CNRS 3459,

        HUB de l’Energie, 15 rue Baudelocque, 80039 Amiens, France
        6ALISTORE-European Research Institute, FR CNRS 3104, HUB de l’Energie,

        15 rue Baudelocque, 80000 Amiens, France
15:10   Afternoon break 20’
        B10 Battery microstructures                                                            C10 PEMFC systems
        Chair: (G Offer)                                                                       Chair:
15:30   Modeling heterogeneous conductive networks in porous                                   Hybrid control strategy for PEM fuel cell systems optimizing
        electrode materials for batteries                                                      efficiency and reducing degradation using artificial neural
        F. Röder1, O. Schmidt2,3 - fridolin.roeder@uni-bayreuth.de                             networks
        1University of Bayreuth, Bavarian Center for Battery Technology (BayBatt),
                                                                                               M. Bahr, S. Goessling
        Universitätsstraße 30, 95447 Bayreuth, Germany                                         Zentrum für BrennstoffzellenTechnik GmbH, Carl-Benz-Str. 201, 47057-
        2TU Braunschweig, Institute of Energy and Process Systems Engineering,
                                                                                               Duisburg, Germany
        Langer Kamp 19b, Braunschweig, Germany
        3TU Braunschweig, Battery LabFactory Braunschweig (BLB), Langer Kamp 8,

        38106 Braunschweig, Germany

16:00   Influence of conductivity additives and their distribution on the                      Predicting local transport processes in cathode catalyst layer
        performance properties of lithium-ion batteries                                        based on overall PEMFC performance: a pore-network approach
        A. Chauhan, H. Nirschl - anshuman.chauhan@kit.edu                                      Shahriar Alam, Ezequiel F. Medici , Kazuya Tajiri , Jeffrey S. Allen
        1Karlsruhe Institute of Technology, Institute of Mechanical Process Engineering        Michigan Technological University, Mechanical Engineering-Engineering
        and Mechanics,76131-Karlsruhe, Germany                                                 Mechanics 49931 Houghton-Michigan, USA
                                                                                               salam2@mtu.edu

16:20   Stochastic 3D microstructure modeling of graphite anodes in                            Analysis and modelling of automotive Fuel Cell system
                                                                                               A. Grimaldi, A. Cinque, A. Baricci, A. Casalegno
        lithium-ion batteries
        B.Prifling1,  M.
                       Ademmer1,     F.
                                      Single2,  O.Benevolenski2,  A.  Hilger3,                 Politecnico di Milano, Department of Energy, MRT Fuel Cell & Battery LAB,
        M. Osenberg4, , I. Manke3, V. Schmidt1 - benedikt.prifling@uni-ulm.de                  20156-Milan, Italy
        1 Ulm University, Institute of Stochastics, 89069-Ulm, Germany                         amedeo.grimaldi@polimi.it
        2 SGL Carbon GmbH, 86405-Meitingen, Germany
        3 Institute of Applied Materials, Helmholtz-Zentrum Berlin für Materialien und

        Energie, 14109-Berlin, Germany
        4 Dptm. of Materials Science and Technology, TU Berlin, 10623-Berlin, D

16:40   Spatially resolved simulation of cathode structures for sodium-                        An AI-Driven, Workflow-Centric Platform for Materials Discovery
        iodine secondary batteries                                                             and Intelligence
        F. Gerbig, S. Cernak, H. Nirschl - felix.gerbig@kit.edu                                K. Malek1,2, Q. Wang1, A. Malek1, M. Eikerling2
        Karlsruhe Institute of Technology, Institute of Mechanical Process Engineering         1 NRC-EME, 4250 Wesbrook Mall, Vancouver, BC, V6T1W5, Canada

        and Mechanics, Straße am Forum 8, 76131 Karlsruhe, D                                   2 Institute of Energy and Climate Research, IEK-13: Modelling and Simulation of

                                                                                               Energy Materials, Forschungszentrum Jülich, 52425 Jülich, Germany
17:00   Short transition break
17:10   A7 Prof. Steven C DeCaluwe (Mech. Engineering, Colorado School of Mines, Golden, CO, USA)
        Experimentally-validated Simulation of Solid Electrolyte Interphase Growth and Evolution: the Impact of
        Detailed Chemistry Modeling - decaluwe@mines.edu
17:45                                                            End of Programme, Day 3
17:50                                             Closing - Announcement Modval 2022
18:00                                                                   End of Symposium

                                                                                    9
Organisation MODVAL17

MER Dr Jan Van herle
EPFL GEM Group
Rue de l’Industrie 17
EPFL Valais/Wallis
1951 Sion, Switzerland
jan.vanherle@epfl.ch
+41 21 695 82 63

Chantal Donaghey
Administratrix
EPFL SCI-STI-JVH
GEM Group
Rue de l'Industrie 17
Case postale 440
CH-1951 Sion
chantal.donaghey@epfl.ch
+41 21 695 72 73

Jean Perruchoud
IT Specialist
EPFL Valais Wallis
EPFL ISIC-GE-VS
Rue de l'Industrie 17
Case postale 440
CH-1951 Sion
jean.perruchoud@epfl.ch
+41 21 695 82 58

                           10
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