A5028310344- Catalytic Processes in Materials Science
- Catalysis and Hydrodesulfurization Studies
- Zeolite Catalysis and Synthesis
- Catalysis and Oxidation Reactions
- Ammonia Synthesis and Nitrogen Reduction
- Nanomaterials for catalytic reactions
- Mesoporous Materials and Catalysis
- Catalysis for Biomass Conversion
- Hydrogen Storage and Materials
- Oxidative Organic Chemistry Reactions
- Catalysts for Methane Reforming
- Melanoma and MAPK Pathways
- Biofuel production and bioconversion
- Electrocatalysts for Energy Conversion
- Advanced Chemical Physics Studies
- Computational Drug Discovery Methods
- Enzyme Catalysis and Immobilization
- Microbial Metabolic Engineering and Bioproduction
- Chemical Synthesis and Characterization
- Chemical Synthesis and Reactions
- Mechanisms of cancer metastasis
- Biodiesel Production and Applications
- Metal-Organic Frameworks: Synthesis and Applications
- Machine Learning in Materials Science
- Advanced Photocatalysis Techniques
Moesgaard Museum
2019-2024
Ørsted (Denmark)
2013-2014
Technical University of Denmark
2003-2013
Haldor Topsoe (Denmark)
2003-2012
WavEC Offshore Renewables
2011
Iowa State University
2009
Lundbeck (Denmark)
2007
Danish National Research Foundation
2006
PLS Consult (Denmark)
2004
The rate of ammonia synthesis over a nanoparticle ruthenium catalyst can be calculated directly on the basis quantum chemical treatment problem using density functional theory. We compared results to measured rates supported magnesium aluminum spinel. When size distribution particles by transmission electron microscopy was used as link between material and theoretical treatment, within factor 3 20 experimental rate. This offers hope for computer-based methods in search catalysts.
The possibility of using ammonia as a hydrogen carrier is discussed. Compared to other storage materials, has the advantages high density, well-developed technology for synthesis and distribution, easy catalytic decomposition. hydrocarbons alcohols, it advantage that there no CO2 emission at end user. drawbacks are mainly toxicity liquid problems related trace amounts in after Storage metal ammine salts discussed, shown this maintains volumetric density while alleviating handling ammonia....
The removal of trace acetylene from ethylene is performed industrially by palladium hydrogenation catalysts (often modified with silver) that avoid the to ethane. In an effort identify based on less expensive and more available metals, density functional calculations were identified relations in heats adsorption hydrocarbon molecules fragments metal surfaces. This analysis not only verified facility known but nickel-zinc alloys as alternatives. Experimental studies demonstrated these...
The application of templating methods to produce zeolite materials with hierarchical bi- or trimodal pore size distributions is reviewed emphasis on mesoporous materials. Hierarchical are categorized into three distinctly different types materials: crystals, nanosized and supported crystals. For the pure in first two categories, additional meso- macroporosity can be classified as being either intracrystalline intercrystalline, whereas for materials, porosity originates almost exclusively...
From petroleum to bioleum: Since biomass is a limited resource, it necessary consider its best use. The production of select chemicals from biomass, rather than use as fuel, could effectively replace the in chemical industry, but inherent functionality must be exploited (see picture). Detailed facts importance specialist readers are published ”Supporting Information”. Such documents peer-reviewed, not copy-edited or typeset. They made available submitted by authors. Please note: publisher...
Heterogeneous catalysts have been a central element in the efficient conversion of fossil resources to fuels and chemicals, but their role biomass utilization is more ambiguous. Zeolites constitute promising class heterogeneous developments recent years demonstrated potential find broad use biomass. In this perspective we review discuss that taken place field using zeolites. Emphasis put on lignocellulosic material conventional zeolites as well sugars Lewis acidic produce useful chemicals.
Cr(OH) 3 nanosheets@ZIF67 electrocatalysts prepared by electrodeposition method for efficient oxygen evolution reaction ,
Going for gold: Density functional calculations show how gold nanoparticles are more active catalysts CO oxidation than other metal nanoparticles. The high catalytic activity of nanosized clusters at low temperature is found to be related the ability low-coordinate atoms activate reactants. Supporting information this article available on WWW under http://www.wiley-vch.de/contents/jc_2002/2008/z801479_s.pdf or from author. Please note: publisher not responsible content functionality any...
The possibilities for establishing a renewable chemicals industry featuring resources as the dominant feedstock rather than fossil are discussed in this Concept. Such use of biomass can potentially be interesting from both an economical and ecological perspective. Simple educational tools introduced to allow initial estimates which chemical processes could viable. Specifically, renewables value chains used indicate where feedstocks optimally valorized. Additionally, C factors that specify...
Abstract The aerobic oxidation of 5‐hydroxymethylfurfural, a versatile biomass‐derived chemical, is examined in water with titania‐supported gold‐nanoparticle catalyst at ambient temperature (30 °C). selectivity the reaction towards 2,5‐furandicarboxylic acid and intermediate product 5‐hydroxymethyl‐2‐furancarboxylic found to depend on amount added base oxygen pressure, suggesting that proceeds via initial aldehyde moiety followed by hydroxymethyl group 5‐hydroxymethylfurfural. Under...
Aerobic exercise: The biomass-derived platform chemicals furfural and hydroxymethylfurfural (HMF) are readily oxidized in methanol the presence of oxygen a supported gold nanoparticle catalyst to afford corresponding methyl esters (see scheme). Thus, was furoate under very mild conditions, HMF converted into furan-2,5-dimethylcarboxylate (FDMC), potential polymer building block, with high yields.
Zeozymes: Sn-Beta zeolite is found to be a highly active catalyst for the conversion of triose sugars. If solvent water, isomerization sugars takes place form lactic acid in 90 % yield at 125 °C. methanol used as solvent, an overall isomerization–esterification reaction and methyl lactate formed quantitative yields 80 This represents one most selective zeolite-catalyzed biomass transformation reactions. Detailed facts importance specialist readers are published "Supporting Information". Such...
Mesoporous zeolite single-crystal catalysts are shown to be both more active and selective than conventional in the alkylation of benzene with ethene. The superior catalytic properties ascribed improved mass transport mesoporous crystals. Thus, combine high acidity, shape-selectivity, hydrothermal stability zeolites efficient that is typically achieved materials.
Summing Me up: DFT calculations have shown that alloying, subsurface carbon, and hydride formation, all increase the selectivity of Pd catalysts for acetylene hydrogenation by weakening surface–adsorbate bond. A simple descriptor—the adsorption energy a methyl group—has been used to quantify compare different effects in ethylene on various transition-metal surfaces (see picture).