Simulation of Reactive Flow in a Partial Oxidation Reactor with Detailed Gas Phase and Surface Chemistry Models

Abstract

The formation of syngas (H2 and CO) from methane in a rhodium coated monolith is studied as an example for the simulation of reactive flow in a partial oxidation reactor. A tube wall catalytic reactor, which serves as a model for a single pore of the monolithic catalyst, is simulated. The simulation is carried out using a two-dimensional flow field description coupled with detailed reaction mechanisms for surface and gas phase chemistry. The reactor is characterized by competition between complete and partial oxidation of methane. At atmospheric pressure, the complete oxidation products CO2 and H2O are formed on the catalytic surface in the entrance region of the catalytic reactor. At higher pressure, gas phase chemistry becomes important, resulting in an additional formation of these complete oxidation products further downstream and a decrease in syngas selectivity.