Computational Plasma Physics and Chemistry

Plasma-assisted conversion of CO2 into CO and O2 is an essential step for an exciting new approach to recycling carbon dioxide into fuels, thereby closing the carbon cycle and eliminating the need for fossil fuels.

Chemical bond breaking of CO2 molecules requires energy. In high-frequency plasmas this breaking relies on exploiting vibrational excitation and dissociation kinetics driven by non-equilibrium conditions for charged and neutral particles in the plasma. How this mechanism works and how to obtain the maximum energy efficiency is still unclear. Other molecular plasmas in non-equilibrium conditions (hydrogen, nitrogen, methane, …) are of interest for both solar fuels and nuclear fusion applications (and plasma processing).

In the Computational Plasma Physics and Chemistry (CPPC) group we aim at giving insight on these plasmas, by means of numerical techniques (Monte Carlo simulations, hybrid models, chemical kinetics models) that describe the components of such complex systems, namely electron, ions, atoms and molecules. We also collaborate with experimentalists to interpret their results and to give intuition on the physics and chemistry of plasma reactors.

 

A microwave plasma in CO2 (left) and a zoom out that illustrates electrons that collide with CO2 molecules eventually breaking a chemical bond (right). The plasma is expanded from left to right supersonically.