Search results for "dehydrogenation"
showing 10 items of 83 documents
Benzyl alcohol to benzaldehyde oxidation on MnOx clusters: Unraveling atomistic features
2021
Abstract The catalytic oxidation of benzyl alcohol with O 2 is a promising option for the production of benzaldehyde, from both environmental and economical viewpoints. In particular, highly dispersed MnO x systems feature good activity and selectivity in a wide range of temperatures, although deactivation phenomena by over-oxidation and/or poisoning of active sites are generally recorded. On this account, a density functional theory study was performed on cluster-sized catalyst models, namely Mn 4 O 8 and over-oxygenated Mn 4 O 9 fragments, to predict the reactivity pattern of MnO x catalysts in the selective aerobic oxidation of benzyl alcohol. Several pathways concur to determine the who…
Kinetic Study of the Oxidation of n-Butane on Vanadium Oxide Supported on Al/Mg Mixed Oxide
1997
The reaction kinetics of the oxidative dehydrogenation (ODH) of n-butane over vanadia supported on a heat-treated Mg/Al hydrotalcite (37.3 wt % of V2O5) was investigated by both linear and nonlinear regression techniques. A reaction network including the formation of butenes (1-, 2-cis-, and 2-trans-butene), butadiene, and carbon oxides by parallel and consecutive reactions, at low and high n-butane conversions, has been proposed. Langmuir−Hinshelwood (LH) models can be used as suitable models which allows reproduction of the global kinetic behavior, although differences between oxydehydrogenation and deep oxidation reactions have been observed. Thus, the formation of oxydehydrogenation pro…
Oxygen-assisted hydroxymatairesinol dehydrogenation: a selective secondary-alcohol oxidation over a gold catalyst.
2013
Selective dehydrogenation of the biomass-derived lignan hydroxymatairesinol (HMR) to oxomatairesinol (oxoMAT) was studied over an Au/Al(2)O(3) catalyst. The reaction was carried out in a semi-batch glass reactor at 343 K under two different gas atmospheres, namely produced through synthetic air or nitrogen. The studied reaction is, in fact, an example of secondary-alcohol oxidation over an Au catalyst. Thus, the investigated reaction mechanism of HMR oxidative dehydrogenation is useful for the fundamental understanding of other secondary-alcohol dehydrogenation over Au surfaces. To investigate the elementary catalytic steps ruling both oxygen-free- and oxygen-assisted dehydrogenation of HMR…
Selective oxidative dehydrogenation of ethane over SnO2-promoted NiO catalysts
2012
[EN] Ni-Sn-O mixed oxides catalysts have been investigated for the oxidative dehydrogenation of ethane. The catalysts were prepared through the evaporation of aqueous solutions of nickel nitrate and tin oxalate and finally calcined in air at 500 degrees C for 2 h. These materials have been characterized by several techniques (N-2-adsorption, X-ray diffraction, High-Resolution Electron Microscopy, temperature programmed reduction, X-Ray Photoelectron Spectroscopy, Fourier Transformed Infrared Spectroscopy of adsorbed CO and O-18/O-16 isotope exchange). The addition of just a tiny amount of tin highly increases the selectivity to ethylene (from ca. 40% to 80-90%). Thus, high selectivity to et…
The selective oxidative dehydrogenation of ethane over hydrothermally synthesised MoVTeNb catalysts
2002
Mo–V–Te–Nb metal oxide catalysts prepared by hydrothermal synthesis and heat-treated in N2 at high temperatures (600–700 °C) show high activity and selectivity for the oxidative dehydrogenation of ethane to ethene. Yields of ethene of 75% have been obtained at 400 °C on the best catalysts. Dejoz Garcia, Ana Maria, Ana.M.Dejoz@uv.es
Insights into the catalytic production of hydrogen from propane in the presence of oxygen: Cooperative presence of vanadium and gold catalysts
2015
7 figures.-- © 2015. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
Structural, energetic and kinetic database of catalytic reactions: Benzyl alcohol to benzaldehyde oxidation on MnOx clusters
2021
Abstract Data here reported are connected with the research article “Benzyl Alcohol to Benzaldehyde Oxidation on MnO x Clusters: Unraveling Atomistic Features” Gueci et al. [1] . This work described and discussed structural and energetic results, calculated by Density Functional Theory (DFT). In order to get kinetic information, DFT results were refined by an original approach, which will be shortly described in the following article. The crossed analysis of experimental and computational energetic and kinetic data allowed to (i) reconstruct the complicated lattice that connects the primary and secondary mechanisms of the reaction and (ii) identify alternative process pathways capable of by…
Redox and Catalytic Properties of Promoted NiO Catalysts for the Oxidative Dehydrogenation of Ethane
2017
[EN] NiO and metal-promoted NiO catalysts (M-NiO, with a M/(M+Ni) atomic ratio of 0.08, with M = Nb, Sn, or La) have been prepared, tested in the oxidative dehydrogenation (ODH) of ethane, and characterized by means of XRD, TPR, HRTEM, Raman, XPS, and in situ XAS (using H-2/He, air or C2H6/He mixtures). The selectivity to ethylene during the ODH of ethane decreases according to the following trend: Nb NiO Sn NiO > La NiO > NiO, whereas the catalyst reducibility (determined by both TPR and XAS using H-2/He mixtures) shows the opposite trend. However, different reducibility and catalytic behavior in the absence of oxygen (ethane/He mixtures) have been observed, especially when comparing Nb- a…
Support effects on NiO-based catalysts for the oxidative dehydrogenation (ODH) of ethane
2019
[EN] We report on the effect of NiO-support interactions on the chemical nature of Ni species in a series of supported NiO catalysts for the ODH of ethane. SiO2, TiO2-anatase, a high surface area TiO2 and a porous clay hetero-structure (PCH) with TiO2 and SiO2 pillars were used as supports, which led to a selectivity to ethylene in the range 30-90% over supported NiO catalysts. The catalysts were characterized by means of XRD, N-2-Adsorption, H-2-TPR, XPS and in situ (under H-2 reductive atmosphere) and ex situ XAS spectroscopy. The catalytic performance of supported materials is discussed in terms of their reducibility and specific reduction kinetics, but also taking into account the speci…
New electrophilic reactions of 2,2′-bisindolyls with acid chlorides and carbodienophiles
1996
Some new acylation and cyclization reactions of 2,2′-bisindolyls 1, 2 are described. The product patterns constitute acyl derivatives 3, 4, 5 and an aldehyde 7, indolo[2,3-a]carbazoles 6, 14, 17, 19, 20 and cyclopentadiindoles 22 and 24. In the reaction with aryne or diazotated anthranilic acid, a 3-benzoylindole derivative 9 and phenylindolyl azo dye 10 are formed. N-methylmaleimide reacts with 2,2′-bisindolyl 2 via Michael type addition, dehydrogenation and cyclization to several functionalized or anellated indole derivatives 11, 12, 13 and 14, respectively.