October 13, 2022 10:00 a.m.–4:00 p.m. CEST

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COMSOL Day: Hydrogen Technologies

See what is possible with multiphysics simulation

Climate change has increased the need for new technologies that produce electric energy. Hydrogen is considered the ideal chemical for energy storage. In the storage process, electrolyzers and fuel cells store peak power production and use off-peak production to deliver electricity from wind and solar power to the grid. With the COMSOL Multiphysics® software, you can set up physics-based, high-fidelity models of fuel cells and electrolyzers, and account for material transport, charge transport, heat transfer, multiphase flow, and electrochemical reactions in your simulations.

Join us for COMSOL Day: Hydrogen Technologies to learn from keynote talks, technical presentations, and a panel discussion about the benefits of using multiphysics modeling to study and design fuel cells, electrolyzers, and reactors. We will also give an overview of the relevant features in COMSOL Multiphysics® and demonstrate how the software can be used across large development teams.

Register for this free, 1-day online event!

Schedule

10:00 a.m.
Welcoming Remarks
10:05 a.m.

New technologies for the hydrogen economy are in demand. To be competitive when developing these technologies, using modeling and simulation is essential.

COMSOL Multiphysics® enables high-fidelity modeling that describes and simulates processes involving multiple physics phenomena. The Application Builder in COMSOL Multiphysics® can be used to create simulation applications that allow larger teams of engineers and scientists to access and benefit from these models, enabling a major step forward in the research process. The Model Manager's data management, model organization, and version control functionality facilitates collaboration on any aspect of a process or device between team members at any level of the organization, from the factory floor to the R&D department.

Join us in this session, where we will discuss the latest developments in combining multiphysics models, apps, input data, results, reports, experimental data, and project management in modeling and simulation projects. Learn how using these resources can put you on the cutting edge of development for new hydrogen economy technologies.

10:30 a.m.
Q&A/Break
10:45 a.m.

Green Hydrogen Systems: Accelerating the Global Energy Transition with Green Hydrogen

Ahsan Iqbal and Anders Rønne Rasmussen, Green Hydrogen Systems

Green Hydrogen Systems (GHS) designs and manufactures efficient, standardized, and modular pressurized-alkaline-electrolyzers for the production of green hydrogen with renewable energy. GHS uses computational simulations, varied by experiments, for innovation, design, development, and safety aspects. By means of two-phase nonisothermal CFD modeling and simulation techniques, the design of a single cell has been modified. Furthermore, simulations of a small-scale 3D section of a full cell, i.e., nonisothermal CFD coupled with electrochemistry, have been used for understanding the alkaline electrolysis process and the losses, e.g., ohmic losses, etc. Similarly, nonisothermal CFD coupled with transport modeling of high-pressure H2 gas in ventilated rooms are used for understanding H2 leakage flow behavior as well as for placing H2 sensors at the right places. The abovementioned simulations are carried out in COMSOL®. Simulations play a key role in not only the verification of innovative ideas but also in the design process. Therefore, it's an important milestone in the digitalization journey of GHS to democratize simulation tasks, e.g., by means of COMSOL® apps.

11:05 a.m.
Q&A/Break
11:15 a.m.

Water electrolyzers have been used for many years for ultrapure hydrogen production. A transition to a hydrogen economy requires a much broader use of water electrolysis to store energy from intermittent renewable energy sources such as wind and solar power.

COMSOL Multiphysics® features a wide range of functionality for creating high-fidelity models for the study and design of water electrolyzers. In addition to basic models for electrochemical cells, the Fuel Cell & Electrolyzer Module also includes ready-made formulations for the most common electrolyzer chemistries, such as those of polymer electrolyte membrane (PEM) and alkaline electrolyzers.

Join us in this session to learn about modeling and simulation of water electrolyzers using COMSOL Multiphysics®. We will demonstrate how to set up models that include mass transport, charge balances, and energy balances for transient and steady-state studies of unit cells as well as stacks.

11:45 a.m.
Q&A
12:00 p.m.

Tech Lunches are informal sessions where you can interact with COMSOL staff and other attendees. You will be able to discuss any modeling-related topic that you like and have the opportunity to ask COMSOL technology product managers and applications engineers your questions. Join us!

1:10 p.m.
Welcome Back: Some Useful Resources
1:15 p.m.

Hydrogen from wind and solar power can be used for producing electricity in fuel cell stacks, which can be incorporated in power plants as well as cars and trucks. Both stationary and automotive applications require a substantial investment in research and development, where modeling and simulation play an important role. COMSOL Multiphysics® is equipped with ready-made features and functionality for the high-fidelity modeling of fuel cells, from the microscopic scale to the fuel cell stack scale. The Hydrogen Fuel Cell interfaces in the Fuel Cell & Electrolyzer Module are tailored for different fuel cell types, such as proton exchange membrane fuel cells (PEMFCs), solid oxide fuel cells (SOFCs), alkaline fuel cells (AFCs), etc.

In this session, we will demonstrate how to use COMSOL Multiphysics® for fuel cell modeling at the microscopic scale as well as at the stack scales for stationary, transient, and electrochemical impedance spectroscopy studies.

1:45 p.m.
Q&A/Break
2:00 p.m.

Simulating Electrochemical–Mechanical Interactions to Predict Hydrogen Uptake Within Metals

Tim Hageman, Imperial College London

At the boundaries between metals and electrolytes, chemical reactions can occur. Sometimes these reactions are intentional, such as the production of hydrogen gas from water, but other times the aim is to avoid them, for instance corrosion or hydrogen absorption.

To accurately predict these reactions, it is not sufficient to analyze them in isolation. The reactions will consume ions from the electrolyte and can insert hydrogen within the metal lattice, sometimes drastically changing the local conditions in which the reactions occur. It is thus essential to not just model the reactions themselves but also the physics in the domains with which they interact.

In this presentation, we will discuss a modeling framework in COMSOL Multiphysics® capable of capturing hydrogen diffusion in metal and ion diffusion in an electrolyte, coupled together by the electrochemical reactions at their interface. The main governing equations and implementation details will be discussed, and cases showing the impact of including these interactions on the electrolyte pH and hydrogen lattice concentration will be presented. These cases will highlight the importance of using simulation to predict the local environmental conditions and how incorporating these conditions into your analysis can strongly alter the predictions for surface corrosion and hydrogen evolution reaction rates.

2:20 p.m.
Q&A/Break
2:30 p.m.

Processes that today use natural gas or oil as a hydrogen source could become carbon neutral by using hydrogen from water electrolysis instead. Examples are the Haber–Bosch process for ammonia production, the latest processes for producing green steel, and catalytic hydrogen combustion for carbon-free heat. Modeling and simulation are an important part of the R&D of such processes. COMSOL Multiphysics® and its add-on Reaction Engineering Module have the capabilities required to describe the kinetics, thermodynamics, and transport phenomena involved in this research.

Join us in this session, where we will demonstrate how you can use COMSOL Multiphysics® to model reactors, separators, mixers, and heat exchangers. We will show you how to set up models by typing in chemical equations, which automatically computes the space-dependent material balances, fluid flow, and energy balance equations.

3:00 p.m.
Q&A/Break
3:15 p.m.

Having an understanding of multiphase flow is imperative for creating efficient fuel cell and electrolyzer designs. It is important to get gas bubbles away from the membrane (or separator) in electrolyzers, and it is equally as important to get water out of the gas diffusion electrodes in fuel cells. COMSOL Multiphysics® includes Fluid Flow interfaces for the modeling of multiphase flow in free and porous media. In addition, the Electrochemistry interfaces make it easy to couple multiphase flow with mass transport, current distribution, and electrochemical reactions.

In this session, we will provide an overview of the capabilities in COMSOL Multiphysics® for modeling multiphase flow. We will also demonstrate how to set up models of electrochemical cells using the Fluid Flow and Electrochemistry interfaces.

3:40 p.m.
Q&A/Break
4:00 p.m.
Concluding Remarks

COMSOL Speakers

Jean-Marc Petit
Business Development Manager

Jean-Marc Petit joined COMSOL France in 2003 and is now in charge of business development. He holds a PhD in physics from the University of Orsay at CEA Saclay. He conducted research at ESRF and contributed to R&D at L'Oréal.

Eric Favre
Managing Director, France

Eric Favre has run COMSOL France since its creation. He previously worked in the field of magnetohydrodynamics (MHD) after receiving his PhD from the Grenoble Institute of Technology.

Loic Renversade
Applications Engineer

Loïc Renversade is an applications engineer at COMSOL. Before joining the company in 2019, he held a two-year postdoctoral position at CEA, working on an X-ray microdiffraction beamline of ESRF. He has an engineering degree from École des Mines de Saint-Etienne and a PhD in materials science from the Université de Lyon.

Sebastien Kawka
Applications Manager

Sébastien Kawka is responsible for the applications group at COMSOL France. He is an alumnus of the École Normale Supérieure de Lyon and holds a PhD in theoretical physics from the University of Grenoble. He worked as a researcher at the Scuola Normale Superiore in Italy before joining COMSOL.

Caroline Dubois
Applications Engineer

Caroline Dubois joined COMSOL in 2018 as an applications engineer. She received her mechanical engineering degree, specialized in fluid mechanics and heat transfer, from the National Institute of Applied Sciences (INSA) of Toulouse.

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COMSOL Day Details

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October 13, 2022 | 10:00 a.m. CEST (UTC+02:00)
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