Modeling and Simulation of Heterogeneous Catalytic Reactions: From the Molecular Process to the Technical System

Spis treści:
Modeling catalytic reactions on surfaces by Density Functional Theory
Dynamics of surface reactions (DFT)
Kinetic Monte Carlo Simulation
Molecular Dynamics Simulation of surface reactions
Reaction and Transport in Porous Media
Modeling gaseous reactive flows (transport and chemistry)
Modeling surface reactions
Evaluation of models for catalytic reactors
CFD simulation of catalytic reactors
Modeling the interactions of transport, chemistry, electrochemistry in solid–oxide fuel cells (SOFC)
Modeling charge transfer reactions in fuel cells
Perspective on modeling catalysis from the experimental surface science community
Perspective on modeling of catalysis from (experimental) chemical engineering
Perspective on modeling of catalysis from industry


Nota biograficzna:
Olaf Deutschmann is Professor at the Institute for Chemical Technology and Polymer Chemistry in Karlsruhe, Germany. He is recipient of the DECHEMA Award of the Max Buchner Research Foundation and of the Hermann–Oberth–Medal in Silver. Chemicals and materials synthesis and reduction of pollutant emissions by heterogeneous reactions are his main research interests.