Computational insights into the conversion of CO2 to CO and carbonylation reactions (WP3)
Host institution: University of Oslo (UiO), Norway
Deadline for application: 29th February
3 PhD year position. Expected start date: Mid 2020.
Remember to read the eligibility criteria here.
Objectives:
- To employ quantum mechanical methods to study MOF-supported non-precious metal catalysts for conversion of CO2 to CO, and for CO-based carbonylation reactions
- To employ micro-kinetic models to reproduce the experimental data available on carbonylation reactions and determine the factors preventing the maximum performance of the catalyst
- To design multivariate-MOFs able to catalyze both conversion of CO2to CO and carbonylation reactions
Expected results:
- Mechanism for the conversion of CO2 to CO and for the carbonylation reactions using MOF-supported catalysts
- Insight into the factors limiting catalyst performance
- MOF prototype able to perform both CO2 to CO conversion and carbonylation reactions
Planned secondment(s):
- SU to Prof. Martín-Matute (2 months): Training in heterogeneous catalyst characterization (with ESR3).
- Industrial secondment to HT to Dr. E. Taarning (2 months): Work on industrial carbonylation reactions, e.g. in the production of glycolic acid and lactic acid (with ESR4).
Enrolment in Doctoral degree(s): University of Oslo, Norway
Principal Supervisor: Dr. Ainara Nova (UiO)
Questions? Write to us at co2perate@uit.no.