Catalytic partial oxidation of methane for the production of syngas using microreaction technology: A computational fluid dynamics study

Abstract Catalytic partial oxidation of methane in high temperature environments under extremely short contact time conditions has emerged as a very promising reaction pathway for the production of syngas. This paper addresses the issues related to the favorable operating conditions for the process. Computational fluid dynamics simulations were performed to gain insight into the underlying mechanism and the key factors affecting primary reaction products. Particular emphasis was given to the role of homogenous and heterogeneous reaction pathways in determining the distribution of reaction products. The effect of preheating temperature, pressure, feed composition, and reactor dimension was investigated in order to identify conditions that will maximize the yield of syngas. Comparisons were made between air-feed and oxygen-feed systems. The relative importance of homogeneous and heterogeneous reactions was assessed, and the reaction pathways responsible for the production of syngas were identified. It was shown that there is a strong interplay between gas-phase and surface chemistry due to the competitive oxidation reactions occurring simultaneously in the system. The contribution of homogeneous and heterogeneous reaction pathways is highly dependent on the operating conditions. Gas-phase chemistry is favored at high preheating temperatures, high pressures, and large reactors, whereas surface chemistry is favored at low preheating temperatures, low pressures, and small reactors, with a tendency to shift towards higher syngas yields. It is particularly beneficial to utilize air instead of oxygen as the oxidant, especially at industrially relevant pressures, thereby inhibiting or avoiding the onset of undesired gas-phase chemistry.