2D CFD simulations of flow and reaction during carbon dioxide methanation: A spatially resolved channel plate reactor study

Journal article, 2023

Carbon dioxide methanation is a way of storing excess electrical energy as grid compatible gas. Spatially resolved channel plate reactor experiments were used to validate competing reactor (1D, 2Dx-z) models. Parallel exothermic carbon dioxide methanation and endothermic reverse water gas shift reactions were considered. The kinetic model, where the rate determining step is between an oxygenated complex (HCOO*) and an active site (*), was used in 2Dx-z CFD simulations for six laminar inflow conditions and variations in pressure, temperature, H2/CO2 ratio, methane, and steam co-feeds. The performance is improved by decreasing flowrate, and increasing H2/CO2 ratio, pressure, and temperature. Co-feeding methane has a negligible effect on reactor performance. However, co-feeding steam significantly reduces performance. At relatively high conversions, differential rates are obtained. This is due to the negligible dependence of the rate of carbon dioxide conversion with the equilibrium term of the reverse water gas shift reaction. With these studies, a link between the reaction mechanism and reactor performance is established at conditions relevant to power-to-gas applications.