PhD scholarship for Modelling and Simulation (Digital Twin) of Electrochemical CO2 and H2O Reduction – DTU Chemical Engineering

We offer you a unique opportunity to join the “Pioneer Center for Accelerating P2X Materials Discovery” (CAPeX) and the Department of Chemical Engineering in the development of a modelling and simulation tool of devices for electrochemical reduction of CO2 and H2O. These processes are expected to become an instrumental part of a sustainable society. Electrolyzers will need to interact with the overall energy system, including the fluctuating supply of electricity from wind turbines and solar cells and so dynamic operation is required. 

The focus will be on processes operating at low temperature where water is liquid while the pressure may be elevated. The candidate will interact with researchers in CAPeX performing experimental studies of the reactions and supply data for model validation. You will be based both at the CAPeX center building at DTU, and at DTU Chemical Engineering, at the CHEC research group in a dynamic international research environment. 

Responsibilities and qualifications
More specifically the position will involve the following tasks:

• Literature study of phenomena and device modelling liquid phase alkaline/acidic/neutral CO2 and H2O (co)electrolysis
• Selection of device geometry and features
• Development of dynamic and steady state models (digital twin) including relevant phenomena such as: CO2 crossover; Salting out; Selectivity to various products depending on electrode materials; Micro-kinetics for the electrode reactions versus Butler-Volmer kinetics; Influence of operating temperature, pressure and flow rate; Side-products in the liquid; Gas diffusion layer thickness and porosity; Membrane/diaphragm thickness; Model validation through comparison to experimental data from the literature and through collaboration with experimentalists in CAPeX; Application of the model in what-if analysis for process improvements.

You must have a two-year master's degree (120 ECTS points) or a similar degree with an academic level equivalent to a two-year master's degree, within chemical engineering or possibly chemistry/physics and must have documented knowledge/experience in mathematical modeling of chemical/electrochemical processes/reactors. The candidate must be self-paced and highly ambitious with very good skills to collaborate with other CAPeX researchers.

Approval and Enrolment 
The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programmes at DTU. For information about our enrolment requirements and the general planning of the PhD study programme, please see DTU's rules for the PhD education . 

We offer
DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility. 

Salary and terms of employment 
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The allowance will be agreed upon with the relevant union. 

The period of employment is 3 years and the starting date is as soon as possible. 

You can read more about career paths at DTU here http://www.dtu.dk/english/about/job-and-career/working-at-dtu/career-paths.

Further information 
Further information may be obtained from Prof. Anker Degn Jensen: +45 2217 1723, e-mail [email protected] .

You can read more about DTU Chemical Engineering at www.kt.dtu.dk/english. 

If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU – Moving to Denmark . Furthermore, you have the option of joining our monthly free seminar “PhD relocation to Denmark and startup “Zoom” seminar ” for all questions regarding the practical matters of moving to Denmark and working as a PhD at DTU.

Application procedure 
Your complete online application must be submitted no later than 11 March 2025 (23:59 Danish time). Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply now", fill out the online application form, and attach all your materials in English in one PDF file. The file must include:

• A letter motivating the application (cover letter)
• Curriculum vitae 
• Grade transcripts and BSc/MSc diploma (in English) including official description of grading scale

You may apply prior to ob­tai­ning your master's degree but cannot begin before having received it. 

Applications received after the deadline will not be considered.

All interested candidates irrespective of age, gender, disability, race, religion or ethnic background are encouraged to apply. As DTU works with research in critical technology, which is subject to special rules for security and export control, open-source background checks may be conducted on qualified candidates for the position.

At DTU Chemical Engineering it is our mission to develop and utilize knowledge, methods, technologies and sustainable solutions within Chemical and biochemical process engineering and production, Design of chemical and biochemical products and processes, Energy and environment.

CAPeX is a 13-year and 300 MDKK “Pioneer Center for Accelerating P2X Materials Discovery”, funded by the Danish Ministry of Higher Education and Science, the Danish National Research Foundation, the Carlsberg Foundation, the Lundbeck Foundation, the Novo Nordisk Foundation, the Villum Foundation. CAPeX is hosted by the Technical University of Denmark (DTU) and co-hosted by Aalborg University (AAU) and unites leading experts from DTU, AAU, University of Copenhagen, Aarhus University, and the University of Southern Denmark with international partners from Stanford University, Utrecht University, and the University of Toronto to form a truly Pioneering Center on Power-to-X. You can read more about CAPeX at  www.capex-p2x.com .

Technology for people
DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals. Hans Christian Ørsted founded DTU in 1829 with a clear mission to develop and create value using science and engineering to benefit society. That mission lives on today. DTU has 13,500 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. DTU has campuses in all parts of Denmark and in Greenland, and we collaborate with the best universities around the world.