468c Combination of Monte Carlo Simulation of Population Balances and Cfd for Modeling of Nanoparticle Formation

Einar Kruis, Faculty of Engineering, University Duisburg-Essen, Bismarckstr 81, Duisburg, Germany and J. Wei, Engineering, University Duisburg-Essen, Bismarckstr 81, Duisburg, Germany.

In this work, we combine a Monte Carlo based method to model the particle dynamics with a transport model based on CFD data. Monte Carlo methods are ideally suited to model multivariate particle properties, such as size, charge and composition.

Transport by convection and diffusion is decribed on a probabilistic basis ,on the basis of CFD data for the carrier gas transport. The particle dynamics includes nucleation, coagulation, growth and thermoionic charging. A twodimensional case study is done using 400 cells. Each cell has a predefined number of simulation particles, which each represent a number of real particles, which is different for each cell. Separate studies are done to check the validity of the transport and particle dynamic modules. The model is applied to nanoparticle generation at high temperatures where thermoionic effects lead to charged particles.

The software is implemented on a LINUX cluster and applies

MPI.