Online conference - Validation of Fuel Cells, Electrolysers and Batteries 17th Symposium on Modeling and Experimental - EPFL
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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
1
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
2
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
3
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’
4
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
5
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
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
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
814:30 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
9Organisation 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
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