PhD Position Multi-scale Modelling of Electrochemical Conversion of CO2 to Ethylene

PhD Position Multi-scale Modelling of Electrochemical Conversion of CO2 to Ethylene

Can your modelling experience help in scaling up electrochemical CO2 to ethylene conversion?

In this PhD project, you will develop models at different scales to address key research questions related to transport and reaction phenomena happening in an electrochemical cell used to convert CO2 to ethylene.

Electrochemical conversion of CO2 to ethylene can be the game-changer for the chemical industry to move away from fossil sources. However, this technology is not yet ready for industrial applications and process performance needs to be improved to make it cost-competitive. Modelling can guide novel cell designs that are required to achieve the necessary performance.

In this project, different numerical techniques will be used to bridge different scales. Transport modelling (and possibly molecular dynamics) will be performed to understand phenomena close to the catalyst layer in a gas diffusion electrode. Multi-physics continuum modelling (using COMSOL) will be used to simulate an entire electrochemical cell.

Models will help understanding (i) how to locally control the pH and its influence in the conversion routes to ethylene, (ii) the impact of pulse electrolysis on selectivity, and (iii) how to deal with the gradients that develop in a larger electrochemical cell. This PhD position is part of a larger collaboration between TNO and TUD focusing on accelerating the development and scale-up of electrochemical conversion of CO2 to ethylene. Close interactions with the other team members (theoretical and experimental) are expected.

Job requirements

• We are looking for a candidate with a strong background in computer simulations and numerical techniques, good knowledge of fluid dynamics and transport phenomena, and affinity with electrochemistry.
• Good coding skills (e.g. Python) are expected. Demonstrated experience with software such as COMSOL (preferred), Ansys Fluent, OpenFOAM, and/or molecular dynamics (e.g. LAMMPS) is a plus.
• You have a MSc degree in (applied) physics, mechanical engineering, chemical engineering, or comparable technical curricula.
• You enjoy troubleshooting complex problems in which you are capable to problem-solve on your own initiative and together in a team.
• You have the right mix of curiosity-driven passion and result-oriented mentality.
• You have good written and spoken communication skills.
• Proficiency in English is expected (Dutch is not required).

About TU Delft

Delft University of Technology is built on strong foundations. As creators of the world-famous Dutch waterworks and pioneers in biotech, TU Delft is a top international university combining science, engineering and design. It delivers world class results in education, research and innovation to address challenges in the areas of energy, climate, mobility, health and digital society. For generations, our engineers have proven to be entrepreneurial problem-solvers, both in business and in a social context.

At TU Delft we embrace diversity as one of our core values and we actively engage to be a university where you feel at home and can flourish. We value different perspectives and qualities. We believe this makes our work more innovative, the TU Delft community more vibrant and the world more just. Together, we imagine, invent and create solutions using technology to have a positive impact on a global scale. That is why we invite you to apply. Your application will receive fair consideration.

Challenge. Change. Impact!

Faculty Mechanical Engineering

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.

Conditions of employment

Doctoral candidates will be offered a 4-year period of employment in principle, but in the form of 2 employment contracts. An initial 1.5 year contract with an official go/no go progress assessment within 15 months. Followed by an additional contract for the remaining 2.5 years assuming everything goes well and performance requirements are met.

Salary and benefits are in accordance with the Collective Labour Agreement for Dutch Universities, increasing from € 2872 per month in the first year to € 3670 in the fourth year. As a PhD candidate you will be enrolled in the TU Delft Graduate School. The TU Delft Graduate School provides an inspiring research environment with an excellent team of supervisors, academic staff and a mentor. The Doctoral Education Programme is aimed at developing your transferable, discipline-related and research skills.

The TU Delft offers a customisable compensation package, discounts on health insurance, and a monthly work costs contribution. Flexible work schedules can be arranged.

Will you need to relocate to the Netherlands for this job? TU Delft is committed to make your move as smooth as possible! The HR unit, Coming to Delft Service, offers information on their website to help you prepare your relocation. In addition, Coming to Delft Service organises events to help you settle in the Netherlands, and expand your (social) network in Delft. A Dual Career Programme is available, to support your accompanying partner with their job search in the Netherlands.

Additional information

For more information about this vacancy, please contact Johan Padding at j.t.padding@tudelft.nl or Simone Dussi at simone.dussi@tno.nl. We retain the right to start interviewing interesting candidates before the end date of this vacancy.