PhD in the field of modeling adsorption of C2/C3 species in nanostructured materials for separation...

Updated: over 2 years ago
Job Type: FullTime
Deadline: 08 Aug 2021

   →  Apply before 08/08/2021 23:59 (Brussels Time)
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PhD position in the field of modeling adsorption of C2/C3 species in nanostructured materials for separation

ABOUT GHENT UNIVERSITY

Ghent University is a world of its own. Employing more than 8,000 people, it is actively involved in education and research, management and administration, as well as technical and social service provision on a daily basis. It is one of the largest, most exciting employers in the area and offers great career opportunities. With its 11 faculties and more than 80 departments offering state-of-the-art study programmes grounded in research in a wide range of academic fields, Ghent University is a logical choice for its staff and students.

YOUR TASKS

The multidisciplinary Center for Molecular Modeling (CMM, http://molmod.ugent.be ) is looking for a highly motivated researcher to perform state-of-the-art research in the context of a PhD in the field of molecular simulations of hybrid membrane technology for more efficient C2 and C3 separations. The prospective PhD student will work in the research unit of Prof. Van Speybroeck and Vanduyfhuys.

The research is situated within the framework of a CO2 Moonshot project entitled ‘Moonrise’ in collaboration with partners from KULeuven, VUB and an industrial advisory board. The general aim of  Moonrise is to create an energy-efficient alternative for cryogenic distillation in the production of C2 and C3 base chemicals by developing membranes for C2 and C3 olefin/paraffin separations. In addition, a membrane-based separation of these olefins from N2 will be targeted to drastically reduce olefin losses via flaring. Three different membrane types will be developed: polymer-only, mixed matrix membranes (MMMs) and metal-organic frameworks (MOF)-only. Through collaboration within a highly complementary consortium, this project joins various fields of expertise: membrane development, MOF-film preparation, diffusion and sorption studies, and molecular modelling. The CMM participates in the project as modeling partner with various research positions, who will study the modeling of diffusion/sorption properties will steer the material selection and optimization, while additionally helping to fundamentally understand the performances of the prepared membranes.

Molecular simulations have grown to become an indispensable tool for the development of new application-oriented materials. Such simulations start from the inter- and intramolecular interactions and allow to compute thermodynamic equilibrium properties such as the number of adsorbed molecules as well as dynamic properties such as a diffusion constant. Within this PhD research, various simulation techniques such as static geometric optimization, normal mode analysis, grand canonical Monte Carlo and classical density functional theory will be applied to compute adsorption free energies as well as full adsorption isotherms of various guest molecules in MOFs, polymers and the hybrid MOF/membrane materials subject in the Moonrise project under realistic conditions of temperature, loading and pressure. As such, we aim to complement experimental characterization of the adsorption properties of these materials performed by our experimental partners to rationalize why certain materials perform well under a given set of conditions and guide the synthesis of new high-performance materials.

The prospective candidate will join a strongly connected research team and benefit from the experience present in the Center for Molecular Modeling (CMM), specifically on performing advanced molecular simulations for the characterization of adsorption properties of nanoporous materials. He/she will collaborate with national and international academic partners and take an active role in the frequent meetings of the Moonshot project. The CMM, headed by Prof. Van Speybroeck, is a multidisciplinary research center, which groups about 40 researchers of the faculties of Science and Engineering and Architecture with molecular modeling interests. The CMM aims to model molecules, materials and processes at the nanoscale by bringing together physicists, chemists, (bio-)engineers and stimulating collaborations across disciplines. Within the CMM collaborative research between researchers with various backgrounds and from various departments is pursued. This multidisciplinary collaborative mission is the DNA of the CMM and key to achieve scientific excellence in the field of molecular modeling.

WHAT WE ARE LOOKING FOR

  • You are highly motivated to become an independent researcher and to contribute to important societal problems related to e.g. clean energy production, non-fossil based production of chemicals and/or the design of materials for the next generation energy carriers.
  • You have a strong academic record showing your potential to become a excellent researcher.
  • You have or will soon obtain a master’s degree of a university or international equivalent in the field of Physics, Physical Engineering or a related field;
  • We are looking for candidates with a pro-active working style; willingness to look beyond the borders of his/her own discipline and a strong motivation to work in a multidisciplinary team;
  • Experience with molecular simulation software (LAMMPS, DLPOLY, RASPA, Gaussian, VASP, CP2K, …) coding (Python, C, ...) is an advantage. At the very least, the candidate must be willing to learn these skills during the first year of the PhD.
  • You have excellent communication skills in English and have a strong motivation to collaborate both within the CMM with other researchers and with other researchers of our network.

WHAT WE CAN OFFER YOU

  • We offer you a contract of indefinite duration with a maximum term of 4 years.
  • Your contract will start on 1/09/2021 at the earliest.
  • Your remuneration will be determined by salary scale WM1. Click here for more information about our salary scales .
  • All Ghent University staff members enjoy a number of benefits, such as a wide range of training and education opportunities, 35 days of holiday leave (on an annual basis for a full-time job) supplemented by annual fixed bridge days, a bicycle allowance and eco vouchers. Click here for a complete overview of all the staff benefits  (in Dutch).
  • You will work in a highly motivated and dynamic team, will be actively trained by various researchers of the team that consists of various junior and senior researchers with different backgrounds.
  • You will have the ability to participate actively in various international conferences, perform international research stays at the most prominent universities worldwide with whom we collaborate to strengthen your skills.
  • Interested candidates will have the ability to also contribute to education of the CMM by giving exercise classes.
  • Prof. Van Speybroeck has a very strong track record in coaching PhD students, under her supervision 32 successful PhD candidates were performed. Most of them found jobs afterwards in industry, academia and have built very strong CVs during their time at the CMM.

INTERESTED?

Apply online through the e-recruitment system before the application deadline (see above). We do not accept late applications or applications that are not submitted through the online system.

Your application must include the following documents:

  • In the field ‘CV’: your CV and an overview of your study results (merged into one pdf file)
  • In the field ‘Cover letter’: your application letter in pdf format
  • In the field ‘Diploma’: a transcript of the required degree (if already in your possession). If you have a foreign diploma in a language other than our national languages (Dutch, French or German) or English, please add a translation in one of the mentioned languages.
  • In the field “other documents”: your full list of publications and a filled out version of the this application form .

Note that the maximum file size for each field is 10 MB.

As Ghent University maintains an equal opportunities and diversity policy, everyone is encouraged to apply for this position.

MORE INFORMATION

For more information about this vacancy, please contact us at [email protected] .

Important: do NOT send your application by email, but apply online.

Do you have a question? Please read our FAQ  regarding the online application process.



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