Fortschritte bei der Modellierung von Festbettreaktoren

Progress in the modeling of fixed bed reactors. Recent work on the modeling of catalytic fixed bed reactors have led to more realistic mathematical models and to a better understanding of problems connected with modeling. Nowadays standard routine computer programs are available for use in the design (and analysis) of catalytic fixed bed reactors for very complex reaction systems. The influence of bed structure on transport parameters was illustrated by experimental determination of axial and radial concentration and temperature distribution. Moreover the problem of multicomponent diffusion coupled with complex reactions in porous catalysts has been solved and can be included in the reactor model. However, the practical application of possible reactor models is limited by the availability of transport parameters for fixed beds.     

Modellierung der Methanolsynthese auf Basis von Elementarreaktionen

Using the transition state theory, parameters like the pre‐exponential factor and activation energy can be related to the active centers. These parameters suggest how a technical process can be described, even if the predominating geometries between the adsorbed species and the substrate are not known exactly. The approach to modelling methanol synthesis presented here shows that elementary reactions can be combined with simple coupled differential equations to derive major conclusions with respect to surface reactions of the catalyst.