Symposium and Scope of ModVal 2019 – 16th Symposium on Modeling and Experimental Validation of Electrochemical Energy Technologies on March 12th & 13th, 2019

ModVal 2019 is the 16th event in a series of annual international Symposia on modeling and experimental validation of electrochemical energy technologies. 

The aim of the symposium is to present and discuss recent advances in science and technology that are related to the modelling and simulation of fuel cells, batteries and other electrochemical energy cells as well as to the respective experimental techniques for model validation. The symposium provides a forum for researchers in both academia and industry, promoting personal contacts and stimulating new collaborations.

Processes

• Molecular and surface processes
• Reactions and electrocatalysis
• Mass and heat transport
• System analysis
• Multi scale processes and interactions
• Material processing and production

Methodology

• Ab-initio modeling
• Continuum modeling, CFD, DEM, …
• In-situ chemical, electrochemical and microstructure characterization
• Ex-situ model experiments to retrieve relevant parameters
• Imaging and spectroscopic techniques

Application Areas

• State-of-the-art battery technologies
• Next-generation battery technologies
• Fuel cells and electrolyzers
• Other cells, e.g. flow cells and bioelectrochemical cells

Keynote Speakers of ModVal 2019

Prof. Martin Z. Bazant
Dept. of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA

Prof. Alejandro A. Franco
Laboratoire de Reactivite de Chimie des Solides, Universite de Picardie Jules Verne, France

Prof. Vanessa C. Wood
Laboratory for Nanoelectronics, ETH Zurich, Switzerland

Agenda (subject to alterations)

Time

Day 1 (12th of March)

08:00 - 09:00

Arrival & registration

09:00 - 09:15

Welcome talk

09:15 - 10:00

Keynote talk by A. A. Franco
Multiscale Modeling of Lithium Ion Battery Manufacturing: The ARTISTIC Project
(Chair: U. Krewer)

10:00 - 10:30

Coffee break with snacks

 

Session A: Batteries

Session B: Electrochemical Energy Conversion

 

A1: Thermodynamics and Transport
(Chair: U. Krewer)

B1: Redox Flow Batteries
(Chair: T. Turek)

10:30 - 10:50

1

T. Zhang

Phase-field simulation of the particle size and average concentration dependent miscibility gap in nanoparticles of  LixMn2O4, LixFePO4, and NaxFePO4

L. F. Arenas

Electrochemical and hydrodynamic modeling of cerium redox flow batteries as plug flow reactors in batch recirculation

10:50 - 11:10

2

M. Chandesris

Staging dynamic and high-order free energy models for intercalation compounds

E. Prumbohm

Observation and simulation of the flow distribution in a vanadium redox-flow battery

11:10 - 11:30

3

B. Horstmann

Designing Aqueous Neutral Electrolytes for Zinc-Air Batteries

S. Kim

Parametric study and flow rate optimization of all-vanadium redox flow batteries

11:30 - 11:50

4

R. Morasch

A critical analysis of impedance derived tortuosities – decoupling the influence of homogeneity, film resistance, And pore resistance on the impedance response of lithium-ion battery electrodes

A. Forner-Cuenca

Understanding the Impact of Electrode Microstructure on the Performance of Non-Aqueous Redox Flow Batteries

11:50 - 12:10

5

W. Bessler

Importance of self-consistent thermodynamic, stoichiometric and structural parameters for lithium-ion battery models

C. Pino Munoz

Characterisation of a regenerative hydrogen-vanadium fuel cell using an experimentally validated unit cell model

12:10 - 12:30

6

A. Heuer

Mechanistic understanding of ion transport in electrolytes: impact of momentum conservation and strong electric  Fields

Y. Na

Practical method of methanol concentration sensing from voltage dynamics in direct methanol fuel cells

12:30 - 13:45

Lunch

 

Session A: Batteries

Session B: Electrochemical Energy Conversion

 

A2: Surface Changes and Aging
(Chair: W. Bessler)

B2: Fuel Cells 1
(Chair: R. Hanke-Rauschenbach)

13:45 - 14:05

1

C. Kupper

Integration of a cell aging model into a model-predictive controller of a stationary lithium-ion battery system

M. Andersson

Droplet Reattachment at the Channel Wall using Dynamic Contact Angle Modeling in Polymer Electrolyte Fuel Cell Gas Channels

14:05 - 14:25

2

C. Schmidt

A computational framework for fully resolved three-dimensional electro-chemo-mechanical analysis of all-solid-state  Lithium-ion batteries comprising contact effects

A. Weber

Synergistic Modeling and PEFC Performance and Durability: Membrane Defects

14:25 - 14:45

3

A. Lamorgese

Capacity fade and impedance response as a function of cycle number for an LCO/graphite cell based on a  Thermoelectrochemical P2D aging model

D. Gerteisen

Modelling and validation of Potential-Induced Degradation in the Cathode Catalyst Layer of PEMFC

14:45 - 15:05

4

M. van den Borg

Multiscale modeling of  degradation processes on metallic lithium anodes using ReaxFF

R. Herrendörfer

Experimental parameter uncertainty in PEM fuel cell modeling

15:05 - 15:25

5

T. Schmitt

Zinc Electrode Shape Change in Alkaline Air Batteries: A Validated 2D Model

M. Striednig

Evaporative Cooling of Polymer Electrolyte Fuel Cells – Potentials and Limits

15:25 - 15:45

6

B. Protas

Incorporating Dendrite Growth into Continuum Models of Electrolytes: Insights from NMR Measurements and Inverse Modelling

S. van Rooij

A numerical multi-physics model of porous layers in fuel cells utilizing evaporative cooling

15:45 - 17:30

Poster session with coffee and snacks

17:30 - 19:00

Excursion to BLB/city tour

19:00 - 22:00

Conference Dinner

 

Day 2 (13th of March)

08:00 - 08:30

Arrival & registration

08:30 - 09:15

Keynote talk by M. Z. Bazant
Control of Battery Phase Transformations by Electro-autocatalysis
(Chair: U. Krewer)

 

Session A: Batteries

Session B: Electrochemical Energy Conversion

 

A3: Micro Structures
(Chair: B. Horstmann)

B3: Fuel Cells 2
(Chair: A. Weber)

09:20 - 09:40

1

C. Sangrós 

Mechanical and electrical characterization of lithium-ion battery electrodes via a discrete element method approach

U. Reimer

The open circuit voltage of polymer electrolyte fuel cells

09:40 - 10:00

2

J. Zausch

Investigations on spatial fluctuations in microscopic battery simulations and the role of the open-circuit potential

S. Brandon

Modeling alkaline membrane fuel cell performance stability

10:00 - 10:20

3

M. Kroll

Reconstruction–Simulation Approach Verifies Impedance-Derived Ion Transport Tortuosity of a Graphite Battery Electrode

D. Gryaznov

DFT+U Calculations of Protonic Defects in (Ba,Sr)FeO3-delta

10:20 - 10:40

4

F. Castelli

High performance simulations for phase segregation in three-dimensional electrode particles of lithium ion batteries

E. Effori

Reaction mechanisms of LSCF and LSCF-CGO electrodes for Solid Oxide Cells: effects of polarization, temperature and oxygen partial pressure

10:40 - 11:00

5

B.-X. Xu

Two-level modeling of Li-ion battery and its degradation

A. Bertei

Modelling and advanced quantification of inhomogeneous 3D current distribution in SOFC electrodes at the particle level

11:00 - 11:30

Coffee break with snacks

 

Session A: Batteries

Session B: Electrochemical Energy Conversion

 

A4: All Solid State Batteries
(Chair: B.-X. Xu)

B4: General Session
(Chair: S. Beale)

11:30 - 11:50

1

W. Cistjakov

Modeling of solid-state polymer batteries with different electrode structures

V. Miloš

Thermodynamically Consistent 1D Model of YSZ Solid Oxide Cell with Experimental Validation

11:50 - 12:10

2

M. Sadowski

First-Principles Modeling of Crystalline and Amorphous Lithium Thiophosphate Solid Electrolytes

F. Büchi

Pushing time resolution of X-ray tomographic imaging of liquid water in gas diffusion layers to 10 Hz 

12:10 - 12:30

3

A. Neumann

Investigating Limiting Processes for the Electrochemical Performance of Sulfidic All-Solid-State Batteries through a Multi-Scale-Approach

U. Nieken

Prediction of Electrolyte Distribution in Technical Gas Diffusion Electrodes: From Imaging to SPH Simulations

12:30 - 12:50

4

D. Langsdorf

What happens to a tilted solid electrolyte in a battery with sodium anode? A combined X-ray tomography and model-based study 

M. Röhe

Dynamic Analysis of Processes and States in Oxygen Depolarized Cathodes

12:50 - 13:10

5

G. Li

Modelling charge transport in solid electrolytes beyond single-ion conductors

K. Smith

Online characterization of porous separators for disproportionation redox flow batteries 

13:10 - 14:10

Lunch

 14:15 - 15:00

Keynote talk by V. C. Wood
From 3D Images to Battery Models:  Challenges and Opportunities
(Chair: A. Kwade)

 

Session A: Batteries

Session B: Electrochemical Energy Conversion

 

A5: Production and System Level
(Chair: A. Kwade)

B5: Water Electrolysis
(Chair: T. Vidakovic-Koch)

15:05 - 15:25

1

J. Sturm

Suitability of physicochemical models in microcontroller systems for monitoring of lithium-ion batteries

J. Brauns

Dynamic process modeling of an alkaline water electrolyzer

15:25 - 15:45

2

S. Schneider

A modeling framework to assess performance, costs and environmental impact of Li-ion and Na-ion batteries

C. Immerz

Local Current Density and Electrochemical Impedance Measurements within 50 cm Single-Channel PEM Electrolysis Cell

15:45 - 16:05

3

O. Schmidt

Modeling the Impact of Manufacturing Uncertainties on Lithium-Ion Batteries

G. Schmidt

Modeling Mass Transport Overpotentials Arising in Porous Transport Layers of PEM Water Electrolysis Cells

16:05 - 16:25

4

M. Steeb

Avoiding Thermal Hotspots in Automotive Battery Systems using a Multiscale Full Vehicle Model

P. Trinke

In search of the best Catalyst Layer – Application based Catalyst Design 

16:25 - 16:45

5

D. J. Becker

Simulation-assisted development of characteristic maps for the design of  thermal management of lithium-ion batteries  

E. Kemppainen

Mass flow: geometry and voltage losses in a PV-electrolyser

16:45 - 17:00

Closing words

 

Scientific Committee and Organization of ModVal 2019

Prof. Dr.-Ing. Ulrike Krewer
Institute of Energy and Process Systems Engineering

Technische Universität Braunschweig

Prof. Dr.-Ing. Arno Kwade
Institute of Particle Technology

Technische Universität Braunschweig 

Prof. Dr.-Ing. Richard Hanke-Rauschenbach
Institute of Electric Power Systems
Leibniz Universität Hannover

Contact
Institute of Energy and Process Systems Engineering,
TU Braunschweig
Franz-Liszt Strase 35
38106 Braunschweig
Germany
E-Mail:
info@modval-2019.de
Website:
www.modval-2019.de

Sponsors & Exhibitors

 

 

  

 

  

 

  

   

 

 

 

 

 supported by

 

 

 

 

Save the Date

ModVal 2020 – 17th Symposium on Modeling and Experimental Validation of Electrochemical Energy Technologies

12-13th March 2020 at Centre de Congrès Le Régent, Crans-Montana, Switzerland
(World Cup Ski resort, 1500-3000 m alt)

Organised by:
EPFL GEM Group of Energy Materials
Rue de l’industrie 17, 1951 Sion
Email: modval17@epfl.ch

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