A5049679424- Catalysis and Oxidation Reactions
- Catalytic Processes in Materials Science
- Zeolite Catalysis and Synthesis
- Catalysis and Hydrodesulfurization Studies
- Catalysts for Methane Reforming
- Process Optimization and Integration
- Machine Learning in Materials Science
- Metaheuristic Optimization Algorithms Research
- Synthetic Organic Chemistry Methods
- Organometallic Complex Synthesis and Catalysis
- Advanced Multi-Objective Optimization Algorithms
- Inorganic and Organometallic Chemistry
- Evolutionary Algorithms and Applications
- Neural Networks and Applications
- Advanced Control Systems Optimization
- Oxidative Organic Chemistry Reactions
- Chemical Synthesis and Analysis
- Digitalization, Law, and Regulation
- Innovative Microfluidic and Catalytic Techniques Innovation
- Law and Political Science
- Carbon dioxide utilization in catalysis
- Manufacturing Process and Optimization
- Catalysis for Biomass Conversion
- Crystal structures of chemical compounds
- Chemistry and Chemical Engineering
Leibniz Institute for Catalysis
2016-2025
Institute of Catalysis and Petrochemistry
2022
University of Aberdeen
2021
Rostocker Zentrum zur Erforschung des Demografischen Wandels
2016-2020
University of Rostock
2008-2015
Ambulatory Rehabilitation Center Berlin Adlershof
2001-2006
Leibniz Association
2006
Institut für angewandte Photonik
2002-2004
Schiller International University
1964-1980
Friedrich Schiller University Jena
1965-1976
Propane dehydrogenation (PDH) to propene is an important alternative oil-based cracking processes, produce this industrially platform chemical1,2. The commercial PDH technologies utilizing Cr-containing (refs. 3,4) or Pt-containing 5-8) catalysts suffer from the toxicity of Cr(VI) compounds need use ecologically harmful chlorine for catalyst regeneration9. Here, we introduce a method preparation environmentally compatible supported based on ZnO. This metal oxide and support (zeolite common...
Abstract Non‐oxidative dehydrogenation of propane to propene is an established large‐scale process that, however, faces challenges, particularly in catalyst development; these are the toxicity chromium compounds, high cost platinum, and durability. Herein, we describe design unconventional catalysts based on bulk materials with a certain defect structure, for example, ZrO 2 promoted other metal oxides. Comprehensive characterization supports hypothesis that coordinatively unsaturated Zr...
Due to the complexity of heterogeneous catalysts, identification active sites and ways for their experimental design are not inherently straightforward but important tailored catalyst preparation. The present study reveals efficient C-H bond activation in C1-C4 alkanes over ZrO2 free any metals or metal oxides usually catalysing this reaction. Quantum chemical calculations suggest that two Zr cations located at an oxygen vacancy responsible homolytic dissociation. This pathway differs from...
Environmentally friendly and low-cost catalysts are required for large-scale nonoxidative dehydrogenation of propane to propene (PDH) replace currently used CrOx- or Pt-based catalysts. This work introduces ZnO-containing ZrO2- MZrOx-supported (M = Ce, La, Ti Y) The most active materials outperformed the state-of-the-art with supported CrOx, GaOx, ZnOx, VOx species as well bulk ZrO2-based without ZnO. space–time yield 1.25 kgC3H6·kg–1cat·h–1 at a conversion about 30% selectivity 95% was...
Abstract Modern research methods produce large amounts of scientifically valuable data. Tools to process and analyze such data have advanced rapidly. Yet, access high‐quality remains limited in many fields, including catalysis research. Implementing the concept FAIR (Findable, Accessible, Interoperable, Reusable) community would improve this situation dramatically. The German NFDI initiative (National Research Data Infrastructure) aims create a unique infrastructure covering all scientific...
The understanding of the reaction mechanism product formation in oxidative coupling methane (OCM) is prerequisite for designing catalysts with improved selectivity to desired products, i.e., C2H6 and C2H4 (C2 hydrocarbons). One step this direction understand kind oxygen species involved selective nonselective reactions. Against background, a series kinetic mechanistic tests OCM N2O (N2O–OCM) were carried out over Mn–Na2WO4/SiO2 system absence presence cofed water. usage instead O2 was proven...
The advantageous application of a falling-film microreactor for photochemical gas/liquid reaction was demonstrated by the selective photochlorination toluene-2,4-diisocyanate (TDI). In microstructured reactor selectivity to side-chain chlorinated product 1-chloromethyl-2,4-diisocyanatobenzene (1Cl-TDI) achieved value 80% at 55% TDI conversion, whereas side toluene-5-chloro2,4-diisocyanate (5Cl-TDI) formed with only 5% selectivity. yield 1Cl-TDI enhanced increasing residence time from 24%...
Accuracy of models based on literature data for predicting experimental yield C<sub>2</sub>hydrocarbons over La<sub>2</sub>O<sub>3</sub>- and MgO-based catalysts in the oxidative coupling methane.
Non-oxidative dehydrogenation (DH) of propane, <italic>n</italic>-butane, and isobutane was investigated over bare ZrO<sub>2</sub> binary MZrO<sub>x</sub> (M = Li, Ca, Mg, Y, Sm or La) materials.
Al2O3, SiO2(MCM-41), and Al2O3–SiO2 (Siral®) with a SiO2 content varying from 1 to 70 wt.% were used prepare supported catalysts V loading below one monolayer. Their activity, selectivity on-stream stability tested in non-oxidative propane dehydrogenation (DH) at 550 °C. The highest space–time yield of propene was only 25% lower than that over industrially relevant Pt–Sn/Al2O3 under the same reaction conditions. All deactivated time on stream, but restored their initial performance after...
Abstract VO x /SiO 2 –Al O 3 catalysts were prepared by grafting vanadyl acetylacetonate onto the supports with a SiO content between 0 and 100 wt. %. The degree of polymerization species acidity both pristine evaluated. To determine their on‐stream stability carbon deposition activity in nonoxidative propane dehydrogenation, continuous‐flow tests situ thermogravimetric measurements performed. rate constants catalyst deactivation derived from kinetic evaluation these experiments. Gathered...
A few years ago, we introduced alternative-type bulk ZrO2-based catalysts for nonoxidative propane dehydrogenation (PDH). Currently, they belong to the state of art owing their environmental compatibility, high activity, propene selectivity, and durability. However, structure–activity–selectivity relationships are still not appropriately understood. To close such gaps, focused on elucidating role surface defects (coordinatively unsaturated Zr (Zrcus) sites) supported Rh nanoparticles (NPs)...
Al<sub>cus</sub> and neighbouring lattice oxygen in activated bare alumina are the active site for isobutane dehydrogenation.
Bulk binary ZrO2-based oxides efficiently catalyse non-oxidative dehydrogenation of isobutane to isobutylene. Their activity strongly depends on the kind second metal oxide. So designed CrZrOx showed superior industrially relevant catalysts with supported Pt or CrOx species. It was also stable under alternating and oxidative regeneration cycles over ca. 110 h different reaction conditions between 550 600 °C.
In this work, steady-state tests of propane dehydrogenation, density functional theory calculations, operando UV–vis spectroscopy, ex situ and in electron paramagnetic resonance IR temperature-programmed techniques were combined to provide fundamentals for tuning activity onstream stability low-loaded catalysts with supported CrZrOx species. Two neighboring Zrcus (cus = coordinatively unsaturated) sites concluded be mainly responsible dehydrogenation propene. They are formed upon reductive...
The oxidative coupling of methane (OCM) to C2-hydrocarbons (C2H4 and C2H6) is attractive both from fundamental (selective C–H bond activation) applied viewpoints. main drawback hindering its commercialization the low selectivity due their further oxidation carbon oxides. In this respect, we focused on elucidating fundamentals previously reported positive effect water activity in OCM reaction over MnOx-Na2WO4/SiO2 by means steady-state kinetic mechanistic tests at ambient pressure as well...
Heterogeneously catalyzed gas–solid-phase reactions generally suffered from diffusion limitations in large-scale processes or academic studies when zeolites were used as catalysts supports. Here, we elucidated the effects of reactants/products nonoxidative propane (PDH) and isobutane dehydrogenation (iBDH) on performance possessing differently structured ZnOx species (S-1), dealuminated beta (deAl beta), ZrO2. The prepared through physically mixing ZnO support. Force-field molecular dynamics...
Although supported Mo-containing catalysts have been extensively investigated in the metathesis of ethylene with 2-butene to propene, mechanisms formation and transformation catalytically active Mo-carbenes course reaction are still not fully understood. The difficulties arise because only a tiny fraction MoO x species can form situ, making detection latter by spectroscopic means very unlikely. Herein, purposefully designed steady-state transient experiments including their kinetic...