• kinetics modelling
• multiphase reactor
• simulation software

In this thesis the theoretical kinetics model of an industrial multiphase reactor is carried out.
The considered reactor involves an organic liquid phase, an aqueous liquid phase, a solid phase (consisting in the reactions catalyst) and a vapour phase.
First, material balances, thermodynamic equilibria and mass transfer between phases are studied.
Then, mechanisms and kinetics of main and side reactions are modelled, according to Langmuir-Hinselwood and Eley-Rideal models.
The so-obtained model of the reactor is implemented in simulation softwares, as Aspen Custom Modeler® or Aspen Plus®, in order to estimate reactor parameters, as reactions selectivities and kinetics constants.

The present thesis was carried out at Evonik Industries in the Department of Process Technology Engineering – Reaction Technology, in Marl (Germany).