Identifying factors controlling the selective ethane dehydrogenation on Pt-based catalysts from DFT based micro-kinetic modeling

Light olefins such as ethylene and propylene are important industrial feedstocks, having essential applications in the production of plastics, ethylbenzene, and ethylene dichloride [1]. Compared with the conventional route, in which alkane steam cracking (SC) at high temperature is applied to produce ethylene and propylene, the catalytic ethane/propane non-oxidative dehydrogenation (EDH/PDH) possess the advantages of high selectivity and low energy consumption. Industrially, Pt is the major component to catalyze this reaction, but it suffers from low selectivity and fast deactivation because of favorable coke formation [2].