The transformation of energy-intensive batch processes
for small-scale
polymer specialties into more energy-efficient continuous processes
is a challenging task due to the occurrence fouling. To determine
safe operating windows, a proper reactor model is needed. Indeed,
a computational fluid dynamics (CFD) can resolve potential fouling
zones; however, the computational demand of a detailed CFD of entire
reactors is in general uneconomical for parameter studies, transient
problems, or complex reaction mechanisms such as polymerizations.
Contrary, reduced basic reactor models, such as plug flow reactors,
can be used for simulation studies of entire reactors due to their
low computational demand but cannot resolve potential fouling zones.
The compartment modeling approach offers a promising method to combine
relevant fluid dynamics from CFD models with the simulation of complex
reaction mechanisms. In this contribution, a compartment model of
a 3 m milli-structured reactor for polymer synthesis is derived from
a reduced CFD model. The computational CFD mesh of a section of the
reactor is transformed into a cascade of continuously stirred tank
reactors (CSTRs) by clustering the CFD cells based on the local mean
age, allowing the spatial interpretation of fouling zones. The mean
age theory is used to evaluate the fluid dynamics and mixing characteristics
of the derived compartment model and compare it with the CFD. With
a scale-up, the compartment model describes the entire residence time
reactor and enables transient simulations and parameter studies with
a significantly decreased computational demand. The compartment model
is validated with experimental data for a catalytic polymerization
process.