화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.57, No.12, 4180-4185, 2018
Enhanced Ethylene Oxide Selectivity by Cu and Re Dual-Promoted Ag Catalysts
It is well-known that Cs+Re is an efficient dual promoter in the Ag catalyzed ethylene epoxidation, but it is still necessary to develop more efficient dual-promoters to gain higher selectivity to ethylene oxide (EO). In this work, we investigate the ethylene epoxidation catalyzed by Cs+Re, Cu+Re and Cs+Cu dual-promoted Ag (111) and (110) surfaces by using density functional theory (DFT) calculations. The predicted selectivity of pure and dual-promoted Ag (111) surfaces for EO follows the order of pure Ag < Cs+Cu < Cs+Re < Cu+Re. In contrast, the order of pure Ag < Cs+Re < Cs+Cu < Cu+Re is predicted for the selectivity of pure and dual-promoted Ag (110) surfaces for EO. Our results show that Cu+Re dual-promoted Ag (111) and (110) surfaces could achieve a higher selectivity to EO, indicating that Cu and Re dual promoted Ag catalysts could be potential and high-efficient for catalyzing the ethylene epoxidation reaction.