RESUMO
Developing atomically synergistic bifunctional catalysts relies on the creation of colocalized active atoms to facilitate distinct elementary steps in catalytic cycles. Herein, we show that the atomically-synergistic binuclear-site catalyst (ABC) consisting of [Formula: see text]-O-Cr6+ on zeolite SSZ-13 displays unique catalytic properties for iso-stoichiometric co-conversion of ethane and CO2. Ethylene selectivity and utilization of converted CO2 can reach 100 % and 99.0% under 500 °C at ethane conversion of 9.6%, respectively. In-situ/ex-situ spectroscopic studies and DFT calculations reveal atomic synergies between acidic Zn and redox Cr sites. [Formula: see text] ([Formula: see text]) sites facilitate ß-C-H bond cleavage in ethane and the formation of Zn-Hδ- hydride, thereby the enhanced basicity promotes CO2 adsorption/activation and prevents ethane C-C bond scission. The redox Cr site accelerates CO2 dissociation by replenishing lattice oxygen and facilitates H2O formation/desorption. This study presents the advantages of the ABC concept, paving the way for the rational design of novel advanced catalysts.
RESUMO
Steady state simulations were carried out in APSEN Plus®, state-point stream data were extracted from the simulation results and tabulated in sequential order for IGCC configurations. These data give detailed insights into the performance of individual process units and enable researches to better understand the interplay of various process units as well as provide data for reproducibility of the work described in Ref. (Rosner et al., 2019). Furthermore, more detailed insights in the economic analysis are garnered by providing itemized capital and operating cost data as well as the individual unit cost correlations. In addition, a detailed plant water balance is provided for the base cases of the cold gas cleanup scenario and warm gas cleanup scenario.
