Reaction and flow are directly interrelated in firmly coupled systems, such as in the production of polymers. Corresponding polymereization kinetics must be implemented in the CFD program. This increases the degree of complexity such that, in some cases, threedimensional simulations can not be performed. Bayer Technology Services developed a double-grid method that allows classes of problems that could not be calculated in the past to now be solved.

Flow in weakly coupled systems (for example some crystallization processes) is modified directly in response to the altered substance data. The effects can be observed separately in this case (e.g. crystallization kinetics in a PS tool, flow through the use of CFD).

Up to now it was not possible to perform such simulations for technically relevant processes within a consistent framework. Bayer Technology Services offers you a useful alternative with CFD+, as it integrates:

• population balance and moment methods;
• neural networks;
• the double-grid method developed by BTS;
• process simulation tools and
• flow simulation tools.
• The technology behind CFD+ also provides advantages for both simulation techniques:
• the degree of accuracy for compartment models is increased by precise calculation of the inlet and outlet flows using CFD;
• more accurate prediction of material properties on the basis of compartment models enhances the quality of the flow simulation.

CFD+: Setting a new standard

The many years of expertise available from Bayer Technology Services in both areas is bundled to accomplish integrated process and flow simulation tasks. Bayer Technology Services does this using the following tools:

• Process simulation (PS Tools): Aspen Custom Modeler (ACM^®), gPROMS^®, PARSIVAL^®, PREDICI^®
• Flow simulation (CFD): ICEM (grid generation), CFX, FLUENT, StarCD, POLYFLOW
• CFD+: Communication software and double-grid method developed in-house.