The selective hydrogenation of acetylene to ethylene involves high H2 consumption as well as a high energy input. Now, a thermocatalytic process for acetylene semi-hydrogenation using H2O...
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To obtain a catalyst based on a non-precious metal that can replace traditional palladium-based selective catalysts of acetylene hydrogenation, the catalytic performances of two different configurations of a B12N12 cluster doped with a single nickel atom were studied by a density functional theory computational approach. After analysing …
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Selective semi-hydrogenation of acetylene is an extremely important reaction from both industrial and theoretical perspectives. Palladium, due to its unique chemical and physical …
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Gas-solid coupled heat transfer in an industrial isothermal acetylene hydrogenation reactor was carried out using computational fluid dynamics (CFD). A two-temperature porous medium model was established by adding source terms to energy equations of the solid and gas phases. The combination of a genetic algorithm with CFD methods is …
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Traditional thermocatalytic hydrogenation of acetylene to ethylene (HAE) requires high temperatures and high pressure, leading to excessive energy consumption. Additionally, large amount of H 2 ...
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Acetylene hydrogenation on both the perfect and oxygen defective anatase TiO 2 (101) surfaces supported Pd 4 cluster has been studied using density functional theory calculations with a Hubbard U correction (DFT + U). The adsorbed Pd 4 cluster on the perfect surface prefers to form a tetrahedral structure, while it likely moves …
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Discharge Plasma Enhanced Preparation of Pd/TiO2 Catalysts for Acetylene Selective Hydrogenation ... More Efficient Supercapacitor with High Performance for Energy storage and Device, Better Li ...
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The kinetics of the selective hydrogenation of acetylene in the presence of an excess of ethylene has been studied over a 0.05 wt. % Pd/α-Al2O3 catalyst. The experimental reaction conditions were chosen …
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However, we also discuss energy storage at the 120–200-kWh scale, for example, for onboard hydrogen storage in fuel cell vehicles using compressed hydrogen storage.
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The semihydrogenation of acetylene is an important industrial reaction generally targeted with alloy catalysts and more recently with single-atom catalysts. Here, the authors report a MOF ...
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Highly efficient ethylene production via electrocatalytic hydrogenation of acetylene under mild conditions. Nature Communications 2021, 12 (1) https://doi /10.1038/s41467-021 …
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Selective acetylene hydrogenation is a strongly exothermic process, easy to cause coking and metal agglomeration, and thus leads to deactivation. In this work, Pd/TiO 2 with different oxygen vacancies (V o ) were synthesized by controlling reduction temperature in 300–700°C, in which Pd/TiO 2 -HT300 (HT is reduction temperature) …
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Hydrogen storage properties and reactivity for hydrogenation of acetylene in a series of CeNi 5-x Ga x (x = 0, 0.5, 0.75, 1, 1.25, 1.5) alloys and Mg 2 Ni were determined and compared. CLASSIFICATION: 50 Energy Materials, 106 Metallic materials, 205 Catalyst / Photocatalyst / Photosynthesis, 206 Energy conversion / transport / …
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In this work, the H2 dissociation and acetylene hydrogenation on Cu doped CeO2(111) were studied using density functional theory calculations. The results indicated that Cu doping …
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Semi-hydrogenation of acetylene in a hydrogen-rich stream is an industrially important process. Inspired by the recent experiments that Cu(111) surface doped by a small number of Pd atoms can exhibit excellent catalytic performance toward the dissociation of H 2 molecule as well as the high selective hydrogenation of acetylene as …
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Selective hydrogenation plays an important role in the chemical industry and has a wide range of applications, including the production of fine chemicals and petrochemicals, pharmaceutical synthesis, healthcare product development, and the synthesis of agrochemicals. Pd-based catalysts have been widely applied for selective …
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Once acetylene reacts completely, CO gets adsorbed, thereby preventing ethylene from getting adsorbed and preventing it''s over hydrogenation. [115] Pd content as low as 168 ppm in AgPd 0.005 /SiO ...
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Acetylene semi-hydrogenation is an effective strategy to remove trace acetylene impurities (0.5–2.0%) from the ethylene stream to avoid poisoning the Ziegler-Natta catalyst. The development of cost-effective, highly selective, active and stable catalysts for acetylene semi-hydrogenation poses a significant challenge in this field.
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The current research presents an experimental approach on the mechanism, kinetic and decay of industrial Pd-Ag supported α-Al2O3 catalyst used in the acetylene hydrogenation process. In the first step, …
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Renewable energy-based electrocatalytic hydrogenation of acetylene to ethylene (E-HAE) under mild conditions is an attractive substitution to the conventional …
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ABSTRACT Hydrogen storage properties and reactivity for hydrogenation of acetylene in a series of CeNi5-x Ga x (x = 0, 0.5, 0.75, 1, 1.25, 1.5) alloys and Mg2Ni were determined and compared. The structure of CeNi5 (CaCu5 type) was maintained up to CeNi3.5Ga1.5 when Ni was replaced by Ga. The replacement facilitated hydrogenation …
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Renewable energy-based electrocatalytic hydrogenation of acetylene to ethylene (E-HAE) under mild conditions is an attractive substitution to the conventional energy-intensive …
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To this end, the effects of these species are not discussed here. The energy profile of acetylene hydrogenation to ethane over this Pd cluster is shown in Fig. 4b, and the corresponding optimized ...
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Selective acetylene hydrogenation as a vital industrial reaction has been studied for decades. However, some key issues remain elusive. Herein, a detailed microkinetic model using density functional theory energies is developed to comprehensively investigate the key aspects of acetylene hydrogenation on Pd(111). …
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The rational regulation of catalyst active sites at atomic scale is a key approach to unveil the relationship between structure and catalytic performance. Herein, we reported a strategy for the controllable deposition of Bi on Pd nanocubes (Pd NCs) in the priority order from corners to edges and then to facets (Pd NCs@Bi). The spherical …
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To exploit the excellent properties of g-C3N4, more and more studies have been carried out in various fields in recent years to improve the selectivity of catalysts, especially for selective acetylene hydrogenation. To our best knowledge, Pd catalyst is of great importance to hydrogenate acetylene in ethylene feed. Though we have explored the hydrogenation …
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Acetylene semi-hydrogenation is an effective strategy to remove trace acetylene impurities (0.5–2.0%) from the ethylene stream to avoid poisoning the Ziegler …
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Acetylene semi-hydrogenation is a vital process where the utilization of supported isolated Pd atoms as catalytic active sites is promising due to their unique reactivity and metal atom efficacy. In particular, doping Pd single atoms at different sites on metal-oxide surfaces provides an opportunity to regulate their local coordination …
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Activity and selectivity are both important issues in heterogeneous catalysis and recent experimental results have shown that Ni catalysts doped by gold exhibit high activity for the hydrogenation of acetylene with good selectivity of ethylene formation. To unravel the underlying mechanism for this observation, the general trend of activity and selectivity of …
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