PhD Position Molecular Modeling of Hydrogen Production Processes NL, 2628 CD

If you are eager to perform cutting-edge molecular modeling to accelerate the development of green and low-carbon hydrogen technologies, then this is position is for you.

You will join a unique project which aims to develop the next generation of green and low-carbon hydrogen technologies. You will be embeded in the Process & Energy department of the Mechanical Engineering Faculty in TU Delft, and work together with an extended and diverse consortium comprising research organizations in the Netherlands, leading international end-users spanning the chemical and energy sectors, and high-tech companies covering the full energy value chain.

Your main focus will be on modeling systems essential for the design and optimization of hydrogen production processes. Accurate thermodynamic, structural, and transport properties are essential for the modelling and design of water electrolysers. These properties strongly depend on T, p, and composition. For model development and validation, experimental data on bulk properties (e.g., electrical/thermal conductivities, transference numbers, electro-osmotic drag coefficients, (transport) diffusion coefficients, viscosities, heat capacities, activity coefficients, and vapor-liquid equilibria) and surface properties and kinetics (e.g., V/L surface tension) for systems containing electrolytes are crucial but largely missing.

Also, visco-elastic properties of membranes in electrolysers are crucial, yet not well-described and studied in the literature. This lack of data seriously hinders the development of accurate models for electrolysers. To fill-in this gap, you will use hierarchical molecular simulations to produce high quality thermodynamic, transport, and kinetic data that can be used for multiscale model development. We will focus both on bulk properties and relevant thermodynamics and transport in the membrane along with investigating the catalyst-ionomer interface for both PEM and AEM electrolysis systems.

Visco-elastic properties will be computed using the appropriate modelling techniques. Method and models will be developed when necessary.

The ideal candidate:

• Holds an MSc in Mechanical, Chemical, Materials Eng., or Physics or similar discipline.
• Has a strong knoweledge in core disciplines, i.e., mathematics, physics, chemistry, thermodynamics.
• Enjoys working in a team with other students (MSc or PhD) and senior researchers, and stakeholders.
• Has excellent written and verbal communication skills in English.
• Has a positive attitude.
• Is able to work independently towards producing novel and accurate results.

Pior experience with molecular simulation, ab-initio, or macroscale modeling is not necessary, nevertheless, will be considered a strong plus.

Working at TU Delft means contributing to solutions that really make a difference.

For over 180 years, we have been training engineers who make an impact worldwide in companies, government bodies, or as entrepreneurs. Our alumni turn knowledge into concrete solutions for the challenges of today and tomorrow.

These challenges are changing rapidly. That is why we focus on themes such as energy, climate, digitalisation, artificial intelligence (AI), and smart mobility every day. Our education and research are directly aligned with what society needs now and in the future.

At TU Delft, our people make the difference. With their knowledge and curiosity, our staff provide a high-quality education and conduct pioneering research that extends beyond the campus. You will have the opportunity to take the initiative, work with others, and grow as a professional.

Working at TU Delft means join an international community of professionals and students. Together, we create knowledge, innovations, and solutions that help move the world forward.

From chip to ship. From machine to human being. From idea to solution. Driven by a deep-rooted desire to understand our environment and discover its underlying mechanisms, research and education at the ME faculty focusses on fundamental understanding, design, production including application and product improvement, materials, processes and (mechanical) systems.

ME is a dynamic and innovative faculty with high-tech lab facilities and international reach. It’s a large faculty but also versatile, so we can often make unique connections by combining different disciplines. This is reflected in ME’s outstanding, state-of-the-art education, which trains students to become responsible and socially engaged engineers and scientists. We translate our knowledge and insights into solutions to societal issues, contributing to a sustainable society and to the development of prosperity and well-being.

That is what unites us in pioneering research, inspiring education and (inter) national cooperation.

Doctoral candidates will be offered a 4-year period of employment in principle, but in the form of 2…