Kinetic measurements, atomistic and kinetic modelling of reactions in confined space
CO2 is a potential carbon source for chemical industry. In this project, we will study catalytic conversion of CO2 with H2 to form methanol and longer-chain compounds.
The catalysts to be investigated are based on metal-organic frameworks (MOFs). MOFs are microporous materials that consist of inorganic nodes linked together by organic linker molecules to form a 3-dimensional, crystalline network. Recent studies of Pt nanoparticles (Pt NPs) embedded in a Zr-node based MOF revealed that methanol is formed at the Pt - Zr-node interface (see illustration below). The rate-limiting step of methanol formation is reduction of a formate species via hydride transfer from the Pt NP.
In this project, we will study how functionalization of the organic linker may affect:
- The oxidation state of Zr in the Zr-node, as well as the rate of formate reduction and methanol formation.
- Cascade reactions from methanol to form longer-chain products (alcohols or hydrocarbons).
The methods to be used are mainly (transient) kinetic measurements, X-Ray Photoelectron (XPS) and Infra-Red (IR) spectroscopy, while theoretical and micro-kinetic models will be developed in collaboration with computational chemists.
- MSc in chemistry, materials science, chemical engineering, or related fields, preferably in practical heterogeneous catalysis, is required.
- Candidates with documented experience in measurements and analysis of detailed reaction kinetics and microkinetics will be prioritized.
- Experience with X-ray photoelectron spectroscopy (XPS) or Infrared spectroscopy (FT-IR) is beneficial.
Call 1: Project start autumn 2021
This project is in call 1, starting autumn 2021. Read about how to apply