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24 results for “dehydrogenation”
Perhydrobenzyltoluene dehydrogenation using monometallic M/Al2O3 and bimetallic Pt-M/Al2O3 catalysts (M = Co, Ni): Effect of metal content.
<p>Hydrogen production from renewable sources emerges as a key strategy for decarbonizing the energy system. However, the advancement of the hydrogen-based energy economy is delayed by limitations in storage and transportation systems. Over the past decade, H<sub>2 </sub>chemical storage, particularly systems based on liquid organic hydrogen carriers (LOHCs), have emerged as a promising solution, employing reversible catalytic reactions for hydrogen storage within organic compounds [1-3].</p> <p>Platinum-Group-Metal (PGM)-based catalysts have been identified as optimal for LOHC technology [4-7]. However, their high cost and environmental impact set significant barriers for large scale applications. To mitigate this challenge, we investigated the perhydrobenzyltoluene dehydrogenation process to benzyltoluene, focusing on minimizing PGM usage.</p> <p>In this work, we synthesized bimetallic catalysts (Pt-M/Al<sub>2</sub>O<sub>3</sub>) with low Pt-content (0.5 wt.%) and varying second metal loads (M = Co, Ni). Catalysts were prepared using the incipient wetness impregnation method, wincorporating Co and Ni first, followed by a second impregnation of Pt, as described elsewhere [6]. Additionally, monometallic Co/Al<sub>2</sub>O<sub>3</sub> and Ni/Al<sub>2</sub>O<sub>3</sub> catalysts were prepared for comparison. Dehydrogenation tests were conducted in a laboratory-scale batch reactor, with hydrogen release quantified using a flow indicator (Brooks SLA5800).</p> <p>The activity results, summarized in the following figure and attached as a dataset, reveal that monometallic Co/Al<sub>2</sub>O<sub>3</sub> and Ni/Al<sub>2</sub>O<sub>3</sub> exhibited poor dehydrogenation performance, with a Degree of Dehydrogenation (DoD) lower than 10%. Conversely, bimetallic catalysts, particularly those with reduced Ni and Co contents, demonstrated enhanced dehydrogenation activity, achieving optimal rates with a 0.5 wt.% metal load. Upon comparing the activity results, it was observed that Co exhibited greater activity than Ni when considering the same metal content. These findings highlight the superior dehydrogenation promotion capability of Co.</p> <p>In summary, this study underscores the potential of low-metal content and sustainable catalysts as initial steps toward optimizing metal content for LOHC technology. These findings offer promising possibilities for enhancing the efficiency and sustainability of hydrogen storage and release systems, crucial for realizing the full potential of hydrogen as a clean energy carrier.</p>
Catalytic Dehydrogenation of Ethane over Mn Oxide Supported on Zeolite Chabazite
<p>A new class of Mn-containing zeolites prepared by incipient wetness impregnation (IWI) have been found to catalyze the ethane dehydrogenation reaction with high selectivity (98%+). Preparation by IWI leads to the formation of Mn<sub>2</sub>O<sub>3</sub> nanoparticles on the external surface of the zeolite crystals and herein is shown that the primary active sites for the reaction are located on the surface of these particles. Propane dehydrogenation is also successfully catalyzed by this catalyst. Other Mn-zeolites (MFI and BEA) also have high reactivity and selectivity towards light alkane dehydrogenation.</p>
Kinetics of Dehydrogenation of n-Heptane over Ga-Pt Supported Catalytically Active Liquid Metal Solutions (SCALMS)
<p>This dataset contains all data for the published figures of DOI10.1039/d3re00490b.</p>
Dehydrogenative Silylation - Marie Curie SILYCAT
<p>The datasheet contains spectroscopic data (<sup>1</sup>H, <sup>13</sup>C, <sup>29</sup>Si NMR, infra-red and high-resolution mass spectrometry) of compounds prepared for the following publication :</p> <p>S. Pramanik, A. Fernandes, V. Liautard, M. Pucheault, F. Robert, Y. Landais, <em>Chem. Eur. J. </em><strong>2019</strong>, <em>25</em>, 728-732. </p> <p><a href="https://doi.org/10.1002/chem.201803989">DOI: 10.1002/chem.201803989</a></p> <p>A copy of the paper is available in open access at https://hal.archives-ouvertes.fr/ :</p> <p>〈<strong>hal-02012175, v1</strong>〉</p>
Inductively heatable catalytic materials for the dehydrogenation of the liquid organic hydrogen carrier (LOHC) perhydro dibenzyltoluene
<p>This data publication is based on the metadata and datasets underlying the manuscript: "Inductively heatable catalytic materials for the dehydrogenation of the liquid organic hydrogen carrier (LOHC) perhydro dibenzyltoluene "</p>
Dataset of "Unraveling the Mechanism of the CO2-Assisted Oxidative Dehydrogenation of Propane over VOx/CeO2: An Operando Spectroscopic Study"
<p>This zip file contains the dataset of the publication "Unraveling the Mechanism of the CO2-Assisted Oxidative Dehydrogenation of Propane over VOx/CeO2: An Operando Spectroscopic Study". The authors are Leon Schumacher, Marius Funke and Christan Hess*. The zip file includes the data for figures 1-8 in the manuscript and the data for figures S1-S11 in the SI.</p> <p>*christian.hess@tu-darmstadt.de</p>
Supporting Information for Gas-phase formation of interstellar nucleobases from dehydrogenated radicals of formamide and vinyl cyanide
<p>Supporting Information for Gas-phase formation of interstellar nucleobases from dehydrogenated radicals of formamide and vinyl cyanide, including:</p> <p>1. Comparison between results obtained using M06 and MP2 methods.</p> <p>2. Energy diagrams of the reaction for transforming the reactants via H migration.</p> <p>3. Atomic coordinates data.</p>
Dataset from J. Am. Chem. Soc. paper: Off-Stoichiometric Restructuring and Sliding Dynamics of Hexagonal Boron Nitride Edges in Conditions of Oxidative Dehydrogenation of Propane
<p>Dataset of the article "Off-Stoichiometric Restructuring and Sliding Dynamics of Hexagonal Boron Nitride Edges in Conditions of Oxidative Dehydrogenation of Propane" accepted in J. Am. Chem. Soc.</p> <p>- armchair.db: The ASE database of all unique surface states from the grand canonical genetic algorithm (GCGA) searches of the restructured armchair edge of h-BN.</p> <p>- zigzag.db: The ASE database of all unique surface states from the GCGA searches of the restructured zigzag edge of h-BN.</p> <p>Other key info such as DFT-calculated energies and magnetic moments are included in the metadata of each entry in the ASE databases.</p> <p>GCGA searches are performed using the workflow in the GOCIA package (https://github.com/zishengz/gocia)</p>
Implications of Ga Promotion and Metal-Oxide Interface from Tailored PtGa Propane Dehydrogenation Catalysts Supported on Carbon
<p>From comparison of carbon-supported Pt and PtGa propane dehydrogenation catalysts, the role of Ga promotion is elucidated via electron microscopy showing amorphous PtGa nanoparticles, hence, being responsible for Pt-site isolation, which drives catalytic stability and selectivity.</p>
Supplemental Materials for "Formation of interstellar complex polycyclic aromatic hydrocarbons: Insights from molecular dynamics simulations of dehydrogenated benzene"
<p>Supplemental Materials for the article entiled "Formation of interstellar complex polycyclic aromatic hydrocarbons: Insights from molecular dynamics simulations of dehydrogenated benzene" authored by M. Hanine et al. at Laboratory for Relativistic Astrophysics, Department of Physics, Guangxi University, 530004 Nanning, China.</p> <p>email: zw@gxu.edu.cn (Zhao Wang)</p> <p>SuppMater1.zip :</p> <p>Atomistic configurations of the formed PAH molecules (in 4.0 ns) at all studied temperatures are available in .xyz format. These .xyz files contain the atomic coordinates of the formed molecules by giving the total number of atoms that will be read on the first line; the comment text on the second; and the atomic number and three atomic Cartesian coordinates in the following lines. The name of the .xyz file consists of four parts separated by ``\_'' including the source molecule type, the temperature, the formation environment (with NP or in gas phase), and the molecular ID (among multiple molecules formed in a simulation). For instance, ``C6H2\_300K\_gas\_2.xyz'' stands for the 2nd molecule formed from C6H at 300K in the gas phase. Please read the 'readme.txt' file before using the data.</p> <p> </p> <p>SuppMater2.pdf:</p> <p>A data file that contains the DFT-calculated optimized structures and their atomic coordinates.</p> <p> </p> <p>SuppMater3.mp4:</p> <p>An animation demonstrating the formation process of PAHs on a carbon NP.</p>
Model Catalytic Studies on the Thermal Dehydrogenation of the Benzaldehyde/Cyclohexylmethanol LOHC System on Pt(111)
<p>Primary data, meta data, and corresponding lists of figures & tables are included.</p>
Highly Selective Oxidative Dehydrogenation of Ethane to Ethylene via Chemical Looping with Oxygen Uncoupling through Structural Engineering of the Oxygen Carrier
<p>Raw data for the article "Highly Selective Oxidative Dehydrogenation of Ethane to Ethylene via Chemical Looping with Oxygen Uncoupling through Structural Engineering of the Oxygen Carrier", already published in Advanced Energy Materials. <a href="https://doi.org/10.1002/aenm.202200405">https://doi.org/10.1002/aenm.202200405</a></p> <p>All details concerning conditions and equipment for measurements can be found in the main text, supporting information of the article, and in text files contained in the folder.</p>
Top-down vs. bottom-up synthesis of Ga based supported catalytically active liquid metal solutions (SCALMS) for the dehydrogenation of isobutane
Open the record for dataset details and reuse information.
Effect of Performance Enhancing Treatment on Ga-Pt Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Propane Dehydrogenation
<p>The dataset for manuscript entitled 'Effect of Performance Enhancing Treatment on Ga-Pt Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Propane Dehydrogenation'</p> <p> </p> <p>The raw data in ‘Dataset of Figure 2a-c.rar’ is used for plotting the spectra in Fig. 2 and Fig. S1, S2, S3 and S5</p> <p>The raw data in ‘t1-t7_Fig. 3 & Fig. S6-S13.rar’ is used for plotting the spectra in Fig. 3 and Fig. S6-S13</p> <p>The raw data in 'Fig S14.rar' is used for plotting the spectra in Fig. S14</p> <p>The raw data in 'Fig S15.rar' is used for plotting the spectra in Fig. S15</p>
Reactivity of a model SCILL: Influence of co-adsorbed [C2C1Im][OTf] on the dehydrogenation of dimethylamine on Pt(111)
<p>Raw and evaluated data of the IRAS measurements and DFT calculations</p>
Dataset for continuous dehydrogenation of perhydro benzyltoluene and perhydro dibenzyltoluene in a packed bed vertical tubular reactor
<p>This entry contains data from the continuous dehydrogenation of perhydro benzyltoluene and perhydro dibenzyltoluene in a packed bed vertical tubular reactor.</p><p>Operating conditions for perhydro benzyltoluene (H12-BT): reaction pressure 3, 4, 5 bar(a); heating temperature 290 - 320 °C, feed flow rate 5 - 25 mL/min.</p><p>Operating conditions for perhydro dibenzyltoluene (H18-DBT): reaction pressure 3 bar(a); heating temperature 290 - 320 °C, feed flow rate 5 - 25 mL/min; reaction pressure 1, 2 bar(a); heating temperature 290 - 310 °C, feed flow rate 5 - 25 mL/min.</p><p>Feed flow rates of 5, 10, 15, 20 and 25 mL/min correspond to liquid hourly space velocities (LHSV) of 0.6, 1.3, 1.9, 2,5 and 3.2 1/h.</p><p>The data sets provided contain temperature profiles, mean reaction temperatures, achieved conversions (degree of dehydrogenation, DoD) and mass fractions of evaporated LOHC for both carrier systems.</p><p> </p><p> </p>
Rational design of stable bimetallic and trimetallic nickel-based single-atom alloys for acetic acid dehydrogenation
<p>Data access for the paper publication.</p>
Role of Benzylic Deprotonation in Nickel-Catalyzed Benzylic Dehydrogenation
<p>Alkylarenes are readily functionalized via the corresponding benzylic anions. Benzylic anions have been used for a range of catalytic reactions, including Ni-catalyzed dehydrogenation. Interestingly, the employment of Zn(TMP)2 for slow and incomplete deprotonation of the benzylic position was observed. This manuscript describes a preliminary investigation into the deprotonation of heteroarenes and its relationship to Ni-catalyzed benzylic dehydrogenation.<br> </p>
Experimental data supported techno-economic assessment of the oxidative dehydrogenation of ethane through chemical looping with oxygen uncoupling
<p>The upload includes two Excel files for the figures in the main manuscript and in the supplementary information. Please, read the provided README file with further details about the data treatment. Additionally, there are four Excel files with the calculations carried out for the economic assessment.</p>
SDR9C7 catalyzes critical dehydrogenation of acylceramides for skin barrier formation
GEO Series GSE135643. Mus musculus. 2 samples. Type: Expression profiling by array.
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