Research: Simulation

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.

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.


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

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.


  • 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)
  • Prof. Dr. Khadijeh Mohri (tomography in energy and process technology, 3D reconstructions)
  • 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)

List of all projects