Project

Closing the carbon cycle: multi-scale modelling and materials optimisation for super-dry reforming of methane

Code

01D08521

Duration

01 October 2021 → 31 October 2022

Funding

Regional and community funding: Special Research Fund

Promotor

Kevin Van Geem

Fellow

Michiel Van Cauwelaert

Research disciplines

Engineering and technology
- Heterogeneous catalysis
- Chemical kinetics and thermodynamics
- Modelling, simulation and optimisation

Keywords

High-level ab initio calculations for in silico material screening Experimental validation and nanomaterial exploration Multi-scale modelling and materials optimisation Heterogeneous catalysis Chemical kinetics and thermodynamics

Project description

Reducing green house gas emissions will be one of the greatest challenges of the 21st century. Super-dry reforming of methane is a strongly intensified CO2 conversion process as it converts up to 3 CO2 molecules per CH4 molecule into a pure CO stream. A modelling-based approach to the optimisation of materials formulation for the SDR process will be developed.