Four (4) PhD & Postdoctoral Positions in Molecular Simulation, Delft University of Technology, Netherlands (2016)

We have openings for several PhD students/post-docs, funded by the recent VICI grant of Thijs Vlugt. We have a similar vacancy for research on zeolites funded by industry.

Deep Eutectic Solvents (DESs) and Ionic Liquids (ILs) are attracting increasing interest due to their excellent solvent properties, low vapour pressure, and non-flammability. They are often qualified as green solvents and are considered as a replacement for conventional organic solvents. Widespread application is currently impeded by high viscosities and low mass transfer rates. As it is impossible to experimentally investigate all possible ILs and DESs, obtaining a detailed molecular understanding is absolutely crucial for the selection of the optimal IL or DES for a given application. Compared to conventional solvents, property predictions are seriously hindered by the existence of structural heterogeneities, which are due to the interplay between hydrogen bonding and electrostatic and hydrophobic interactions. These heterogeneities have a very large influence on thermophysical properties but systematic knowledge is currently not available. Molecular simulation and theory will be used to obtain a solid fundamental understanding of the relation between microscopic structural heterogeneities of ILs and DESs, their thermophysical properties, and their chemical composition. Using advanced Monte Carlo algorithms, we investigate how chemical reaction equilibria depend on the type of DES or IL. Ultimately, this approach will lead to better design criteria for ILs and DESs as novel green solvents.

Requirements
We are looking for PhD candidates/post-docs with a strong background in physics, chemistry, mechanical engineering, mathematics, computer science, or a related discipline. Prior experience with molecular simulation is not required but will be considered an advantage. Candidates with experience in (scientific) programming will be preferred. Good communication skills are essential for the completion of the project. For the post-doc position, a PhD degree is required.

For further details, please visit:
http://www.academictransfer.com