PhD Position in Modeling the Interplay Between Different Thermophysical Properties

Updated: about 1 year ago
Deadline: 04 Apr 2023

The transition from fossil-fuels to clean and renewable energy production is urgently needed. As a green energy carrier, hydrogen plays a crucial role in this transition because of its high gravimetric energy density and clean combustion products. Important technologies in the hydrogen value chain include underground storage, H2O electrolysis, and electricity production with fuel cells. To enable the design and optimization of these technologies, accurate knowledge of the thermophysical properties (i.e., densities, phase equilibria, gas solubilities, surface tensions, viscosities, heat effects, mutual diffusivity) of H2 and a variety of H2 mixtures at a wide range of conditions is absolutely crucial. Systems of interest are multicomponent mixtures of hydrogen with H2O, electrolytes (from simple salts to ionic liquids and deep eutectic solvents), gases (e.g., CO2, CH4, O2), and hydrocarbons. Many of these mixtures are very difficult to handle experimentally due to e.g., the extreme pressures and/or temperatures required, the dangerous nature of the components such as hydrogen at high temperatures or poisonous substances in the mixture, and the large material and composition design space.  We propose to use atomistic/molecular modeling to perform a systematic mapping of all relevant properties of hydrogen mixtures. The focus of this project will be on modeling the interplay between different thermophysical properties of hydrogen mixtures relevant to electrolysis (aqueous electrolyte solutions), subsurface hydrogen storage, and separation/purification of hydrogen mixtures (e.g., in hydrogen + natural gas) for which the solid/liquid/vapor properties of the related systems are largely unknown.  

Applicants must meet the TU Delft Graduate School requirements. The successful applicant is expected to work in a multidisciplinary team. Prior knowledge of thermodynamics is a must.

Doing a PhD at TU Delft requires English proficiency at a certain level to ensure that the candidate is able to communicate and interact well, participate in English-taught Doctoral Education courses, and write scientific articles and a final thesis. For more details please check the Graduate Schools Admission Requirements .

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 € 2541,- per month in the first year to € 3247,- 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 sport memberships, and a monthly work costs contribution. Flexible work schedules can be arranged. For international applicants we offer the Coming to Delft Service and Partner Career Advice  to assist you with your relocation.

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!

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 3mE faculty focusses on fundamental understanding, design, production including application and product improvement, materials, processes and (mechanical) systems.

3mE 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 3mE’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.

Click here  to go to the website of the Faculty of Mechanical, Maritime and Materials Engineering. Do you want to experience working at our faculty? These videos  will introduce you to some of our researchers and their work.

 For more information about this vacancy, please contact Prof. Thijs J.H. Vlugt [email protected] .

Are you interested in this vacancy? Please apply before 4 April 2023 via the application button and upload your motivation and CV.

  • A pre-employment screening can be part of the selection procedure.
  • Applying for an exemption for specific research and educational areas is an obligatory part of the selection procedure for this vacancy. This exemption must be obtained from the Ministry of Education, Culture and Science (OCW) before an employment contract is agreed upon. Click here  for more information.
  • You can apply online. We will not process applications sent by email and/or post.
  • Please do not contact us for unsolicited services.


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