Detailed Reaction Mechanisms for the Oxidative Coupling of Methane over La2O3/CeO2 Nanofiber Fabric Catalysts

Abstract We develop and validate detailed reaction mechanisms to represent the oxidative coupling of methane (OCM) over a La 2 O 3 /CeO 2 nanofabric catalyst. The reaction mechanism includes 39 reversible gas‐phase reactions and 52 irreversible surface reactions between 22 gas‐phase species and 11 surface species. We use a model‐based interpretation of spatially resolved concentration and temperature profiles measured by using a laboratory‐scale packed‐bed reactor. The reaction mechanisms are validated for inlet feed compositions in the range of 7≤CH 4 /O 2 ≤11. The results are supported by a reaction pathway analysis that provides insight into the relative contributions of the gas‐phase and surface reactions to form the desired C 2+ and the undesired CO x products. The results provide new quantitative insights into the complex nature of the OCM chemistry, which can assist practical process and reactor development.