T. Salmi et al., Dynamic modelling of catalytic three-phase reactors for hydrogenation and oxidation processes, BRAZ J CH E, 17(4-7), 2000, pp. 1023-1034
The dynamic modelling principles for typical catalytic three-phase reactors
, batch autoclaves and fixed (trickle) beds were described. The models cons
ist of balance equations for the catalyst particles as well as for the bulk
phases of gas and liquid. Rate equations, transport models and mass balanc
es were coupled to generalized heterogeneous models which were solved with
respect to time and space with algorithms suitable for stiff differential e
quations. The aspects of numerical solution strategies were discussed and t
he procedure was illustrated with three case studies: hydrogenation of arom
atics, hydrogenation of aldehydes and oxidation of ferrosulphate. The case
studies revealed the importance of mass transfer resistance inside the cata
lyst pallets as well as the dynamics of the different phases being present
in the reactor. Reliable three-phase reactor simulation and scale-up should
be based on dynamic heterogeneous models.