Abstract
A series of Cu and Zn modified Ni/Al2O3 catalysts were prepared using an incipient impregnation method for the selective hydrogenation of naphthalene into tetralin. X-ray diffraction (XRD), H2-Temperature programmed reduction (H2-TPR), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) were applied to reveal the structure regulation, and density functional theory (DFT) calculations were performed to investigate the electronic effect and reactant adsorptions on the active sites. The results showed that the addition of CuO promoted the hydrogenation of naphthalene with an inhibited tetraline selectivity. However, a simultaneously increasing naphthalene conversion and tetraline selectivity were achieved over the Zn modified Ni/Al2O3 catalysts. The characterization and calculation results revealed that the doping of CuO improved the hydrogenation activity with a low tetralin selectivity due to the H spillover from the Cu. The addition of ZnO decreased the interaction between NiOx and Al2O3 in NiZn/Al2O3 catalysts, which efficiently increased the reduction ability of NiOx species and, thus, improved the naphthalene hydrogenation activity. The electron transfer from ZnO to NiOx weakened the adsorption of tetraline and resulted in increased tetraline selectivity. This work provides insight into developing efficient catalysts for heavy aromatics conversions via rational surface engineering.
Highlights
With the rapid expansion of oil refining, and the aromatics and ethylene industry, the production of heavy aromatics byproducts increased dramatically, producing millions of tons of heavy aromatics in China [1]
Efficiently converting the heavy aromatics into light aromatics can realize the diversification of the raw materials for light aromatics producing, which is of significant economic value
In order to reveal the structure activity relationship of the catalysts, we performed density functional theory (DFT) calculations to investigate the adsorption of the reactants on the model catalyst surface
Summary
With the rapid expansion of oil refining, and the aromatics and ethylene industry, the production of heavy aromatics byproducts increased dramatically, producing millions of tons of heavy aromatics in China [1]. The composition of these heavy aromatics is complicated, and typically contains the condensed ring compounds, which makes them not suitable for the direct blending of oil products or chemical utilization. The light aromatics are an important category of basic chemical raw materials and additives for the high octane oils. Efficiently converting the heavy aromatics into light aromatics can realize the diversification of the raw materials for light aromatics producing, which is of significant economic value
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