Validation of the thermo-chemical approach to modelling of CO2 conversion in sub-atmospheric pressure microwave gas discharges

Abstract

The CO 2→ CO + 12 O2 conversion experiment [D’Isa et al 2020 Plasma Sources Sci. Technol. 29 105009] has been compared with thermo-chemical calculations. The experiment is a 2.45 GHz plasma torch with a straight channel in the effluent. The 1.5D model of the CO2/CO/O2/O/C mixture without turbulent transport has been applied with plasma acting only as a prescribed heat source. The parameter range covered is the specific energy input (SEI) 0.3–5 eV/molecule at pressure p = 0.9 bar, and SEI = 0.6–2 eV/molecule at p = 0.5, 0.2 bar. The calculated conversion χ is always close to the experimental values. At the same time, the calculated temperatures T deviate significantly from the experiment, especially for p = 0.2 bar. The calculated T were also found to be sensitive with respect to the uncertain model parameters, but χ is not sensitive. The net conversion in the model is driven to a large extent by the radial diffusion of CO and O from the hot core towards the wall and steep radial temperature gradients. The main factor that reduces the energy efficiency is the re-oxidation of CO at the edge of the hot plasma region and downstream. The 1.5D approximation applied has the principle limitation that the impact of a realistic bulk flow field on the chemical process cannot be studied. Hence, the results must be considered preliminary and have to be confirmed with a more elaborate and accurate model of the vortex-stabilized flow inside the reactor.