Research: Simulation

CURRENT RESEARCH
To investigate and model the entire process chain for gas-phase synthesis of nanomaterials including atomic simulations, models for reaction kinetics, turbulence/chemistry interactions, and synthesis reactors, while setting predetermined materials properties.

GOAL
To develop models and simulation methods for the cost-effective and low-emission synthesis of highly specific gas-phase nanomaterials. This work is based on our in-depth understanding of the entire process chain.

HIGHLIGHTS

Reduction and optimization of reaction mechanisms
Simulation of aerosol dynamics
Basic structure simulation of turbulent reactors
Population balance modeling using kinetic Monte-Carlo simulations

DETAILS

We monitor all of the following steps of experimental research as we seek to map out and model synthesis and processing based on a sound physical/chemical foundation:

We work in close collaboration with UDE’s Center for Computational Sciences and Simulation (CCSS), whose business offices are also located at the NETZ building.

PARTICIPATING WORK GROUPS

Prof. Dr.-Ing. Andreas Kempf (fluid dynamics, large-eddy simulation)
Dr.-Ing. Irenäus Wlokas (aerosol dynamics, reaction kinetics)
Prof. Dr.-Ing. Einar Kruis (population balance modeling)
PD Dr. Holger Somnitz (quantum chemistry, precursor kinetics in the gas phase)
Prof. Dr. Eckhard Spohr (molecular dynamic modeling)
Prof. Dr. Dietrich Wolf (particle methods)
Prof. Dr. Markus Winterer (process simulation)

Further information

Kempf

Prof. Dr.-Ing. Andreas Kempf
andreas.kempf@uni-due.de
Phone: +49 203 37-98103
Webpage