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Displaying 1 - 30 of 52
Calculating Reaction Energy Barrier of HCN Formation From CH2O With CuSSZ13 Zeolite Catalyst
Biomass-derived fuels are promising candidates to replace traditional fossil-based fuels for mobility and propulsion but ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie
Efficient Integration of Physically Enhanced Neural Networks in Particle-Resolved CFD Simulations of Industrial Packed-Bed Reactors
The investigation of novel or optimizing established processes is of paramount importance in chemical engineering in the ...
Engineering SciencesProcess Engineering, Technical Chemistry
Influence of Mixing Characteristics on Polymerization Reactors
The industrial production of high-density polyethylene (HDPE) through the catalytic polymerization of ethene is an ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie-
Investigation of the Phase Separation Process of Polymer-Monomer Mixtures II
The polymerization of low-density polyethylene takes place at high temperatures and pressures up to 3000 bar. Under ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie -
Preliminary Study for Power Forecasting of Machines in Industrial Production Systems With Neural Networks
Germany has the ambitious goal of covering all electricity generation by renewable sources by 2045. The Kopernikus ...
IngenieurwissenschaftenMechanik und Konstruktiver Maschinenbau 
Quantification of Turbulent Coflow Effects on Liquid Fuel Atomization from a Pressure Swirl Atomizer
In response to the growing need for sustainable energy solutions and emission reduction, gas turbines offer a viable ...
Engineering SciencesProcess Engineering, Technical Chemistry
Improving the Model-Based Prediction of Vibroacoustic Vehicle Properties by Mastering Uncertainty
Vibroacoustic vehicle behavior specifies among others the quality of vehicles and contributes to customer satisfaction ...
IngenieurwissenschaftenMechanik und Konstruktiver Maschinenbau
Investigation of the Diastereodivergent Asymmetric Allylic Alkylation of Cyclobutenes
The Pd-catalyzed asymmetric allylic alkylation of cyclobutenes is known to proceed in a deracemizing, de-epimerizing and ...
NaturwissenschaftenMolekülchemie-
Investigation of the Phase Separation Process of Polymer-Monomer Mixtures
The low-density polyethylene polymerization process takes place at high pressure and temperatures. Knowledge of the ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie 
RUBI Simulation (Numerical Simulations on the Effect of an Electric Field on Nucleate Boiling in Microgravity)
Nucleate boiling is a very efficient heat transfer mechanism. It is used in a wide variety of applications on Earth ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie-
Scientific Machine Learning for Chemical Kinetics
Detailed multi-scale modelling provides in-depth insights into the complex phenomena of catalytic systems that typically ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie -
Computational Continuum Mechanics (CCM)
Fracture is an everyday phenomena which describes the partial or full separation of a body. Fracture is driven by ...
IngenieurwissenschaftenMechanik und Konstruktiver Maschinenbau -
Implementation and Validation of an Approach for Statistical Parameter Calibration
The prediction accuracy of models is affected using deterministic parameters. That is because the uncertainty of these ...
IngenieurwissenschaftenMechanik und Konstruktiver Maschinenbau 
Influence of Mixing Processes on the Performance of High-Pressure Polymerization II
At industrial scale low-density polyethylene (LDPE) is produced at pressures up to 3000 bar in autoclave or tubular ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie
Investigation of Domain Switching Mechanics of Perovskite Ferroelectrics using Molecular Dynamics Simulations
Ferroelectric ceramics with perovskite structure can be used in novel cooling applications based on the electrocaloric ...
IngenieurwissenschaftenVerfahrenstechnik, Technische ChemieMaterialwissenschaft
Influence of Mixing Processes on the Performance of High-Pressure Polymerization I
In industrial low-density polyethylene (LDPE) production, mixtures of organic peroxide initiators are used to start the ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie
Activation of Small Molecules With Metal-Free Systems
Ammonia borane (NH3BH3) is an easy to handle solid capable of releasing up to 3 equivalents of dihydrogen and therefore ...
NaturwissenschaftenMolekülchemie
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
NaturwissenschaftenMolekülchemie
Massive Parallelization of Dynamical Multibody Systems via Co-Simulation
Co-simulation methods may be used advantageously for analysing complex problems, for example the simulation of systems ...
IngenieurwissenschaftenMechanik und Konstruktiver Maschinenbau
Prebiotic Formation of Sugars and Amino Acids Using Aminomethylene
After the matrix isolation of aminomethylene (H-C̈-NH2)[1] we study further the formation of amino acids and sugars in ...
NaturwissenschaftenMolekülchemie
Asymmetric, Lewis-Acid Catalysed, Diels-Alder Reactions of Phthalazine
Novel methods to access complex molecular structures open new avenues for applications in medicalas well as material ...
NaturwissenschaftenMolekülchemie-
Bidentate Lewis-Acid Catalysed Diels-Alder Reactions
Novel methods to access complex molecular structures open new avenues for applications in medical as well as material ...
NaturwissenschaftenMolekülchemie -
Computational Modeling of Photoswitches and Diels-Alder Reactions
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
NaturwissenschaftenMolekülchemie -
Design and Synthesis of Arylphosphinidenes and Phosphirenes
It is well-known that the irradiation of aromatic azides, including phenyl azide, in solution and at cryogenic ...
NaturwissenschaftenMolekülchemiePhysikalische und Theoretische Chemie -
Evaluation of the Thermo-Mechanical Behavior of Ventilated Truck Brake Discs
Brake discs are put to high thermomechanical stresses during operation. These loads might induce the so called heat ...
IngenieurwissenschaftenMechanik und Konstruktiver Maschinenbau -
Functionalization of Hydrocarbons Trough Novel HAT-Agents
Alkanes are attractive feedstock chemicals due to their natural occurrence and they offer access to a wide variety of ...
NaturwissenschaftenMolekülchemie -
Gas-Phase Sugar Formation Using Hydroxymethylene as the Reactive Formaldehyde Isomer
Carbohydrates “(CH2O)n” or sugars are the formal adducts of carbon (atoms) to water with a repeating unit that ...
NaturwissenschaftenMolekülchemie 
Global Optimization of Gadolinium Doped Tin Clusters
Gadolinium-doped tin clusters belong to an interesting class of nanoalloys. They combine the quasi-aromatically ...
NaturwissenschaftenMolekülchemie-
In Silico Design and Synthesis of Novel, Metal-Free Systems for Bond Activation and Catalysis
Our research focuses on the activation of stable bonds/small molecules. This is traditionally accomplished by transition ...
NaturwissenschaftenMolekülchemie 
Intermolecular London Dispersion Interactions of Azobenzene Switches
Azobenzenes (AB) are promising candidates for molecular solar thermal energy storage (MOST) systems. After synthesizing ...
NaturwissenschaftenMolekülchemie
