Dynamicmodelling of catalytic three-phase reactors for hydrogenation and oxidation processes

The dynamic modelling principles for typical catalytic three-phase reactors, batch autoclaves and fixed (trickle) beds were described. The models consist of balance equations for the catalyst particles as well as for the bulk phases of gas and liquid. Rate equations, transport models and mass balances were coupled to generalized heterogeneous models which were solved with respect to time and space with algorithms suitable for stiff differential equations. The aspects of numerical solution strategies were discussed and the procedure was illustrated with three case studies: hydrogenation of arom...