Establishing selectivity-property relationships in the oxidative coupling of methane through combining statistical data analysis with reliable catalyst testing and characterization

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The oxidative coupling of methane (OCM) to C2-hydrocarbons (C2H6 and C2H4) is an attractive opportunity for methane valorization. It is yet non-commercialized as the target hydrocarbons are more reactive than methane and therefore oxidized to carbon oxides. To suppress these undesired reactions when increasing CH4 conversion, new catalysts or alternative operation conditions are required. This can be achieved through establishing fundamental relationships between catalyst performance and composition/property.Thus, our primary objective is to check the potential of exploratory data analysis for establishing truthful relationships. To profit from such analysis, it is important to generate reliable experimental data. So-obtained consumption and formation rates will be used for correlation and regression trees analysis for identifying the required relationships between activity-selectivity and catalyst composition/property. Another important aim is to elucidate effects of H2O and CO2 both on CH4 conversion and C2-selectivity as they were not thoroughly enough investigated in literature but open possibilities for improving the desired performance.For reaching project aims, we will follow a multidisciplinary approach including (i) statistical analysis of previous literature data and those obtained in the present proposal for catalyst design, (ii) using this knowledge for catalyst synthesis and (iii) detailed characterization by complementary techniques, (iv) mechanistic and kinetic tests, (v) as well as operando tests. In addition, we will exploit the potential of O2-free OCM, i.e. alternating feeding/pulsing of methane and air, but in the presence of H2O and/or CO2 in CH4 for improving C2-selectivity.