C: Seed Funding Project 2

Ionic Liquids and Confinement

  • Project leader(s)
Prof. Dr. Maria Fyta
Prof. Dr. Maria Fyta
RWTH Aachen University
  • Summary

This project targets the possibility for a linker-free immobilization of catalysts in a pore through the supported ionic liquid phase technology. It is dedicated in providing insight on the role of ionic liquids (ILs) on the confinement of catalysts in nanopores. Through computer simulations, information will be gained on the influence of steric and IL-specific effects, the structuring of a varying solvent environment, the pore functionality/polarity, and their synergistic interactions with the catalytic center. The aim is to promote a deeper understanding on the micro-details for a rational design of the catalyst immobilization and the relevant conditions.

Research Questions

  • What is the role of the ionic liquid in the immobilization of the catalyst in a confined geometry?
  • What are the dynamics of the molecular species in a IL-based biphasic solutionwithin a pore?
  • How do the relevant free energies guide the behavior of the catalysts and substrates within the IL-based biphasic solution?
  • How can the choice of the pore environment, molecules, solution be selectively tuned in order to enhance the turnover rates within the pore?
A functionalized (red/green) pore (yellow) filled with an ionic liquid(IL)-based biphasic solution (cyan and gray) including catalytic (orange) and substrate (purple) molecules.
A functionalized (red/green) pore (yellow) filled with an ionic liquid(IL)-based biphasic solution (cyan and gray) including catalytic (orange) and substrate (purple) molecules.