Work package 4.1 - Model-based reactor design on the basis of optimal reaction control
Principal investigators: Prof. H. Freund, Prof. W. Schwieger (FAU Erlangen-Nürnberg)
Main scientific Goals:
The main focus of work package 4.1 is the optimal reactor design based on rigorous optimization. This means, that contrary to e.g. heuristic design methods a basic reactor design will not be utilized. Instead, the design of the new reactor will be developed in accordance to elementary process functions (Freund and Sundmacher, Chem. Eng. Process. 47 (2008), pp. 2051) by using a three level approach (Pechel et al., Ind. Eng. Chem. Res. 49 (2010), pp. 10535) allowing completely new reactor structures and modular setups.
- Identification of the reaction network
- Choice of adequate reaction kinetics
- Mathematical interpretation and implementation of the problem into a computational environment
- Identification of additional phenomena (mass transport, phase change...); model enhancement
- Evaluation of solver results
- Deduction of a new potential reactor concept
Level of optimization, a brief overview:
Level 1: A fluid element is optimally controlled by inner and outer fluxes over time.
Level 2: Example of level 2 results based on the outcome of level 1. The optimal profiles are approximated by utilizing adequate control variables.
Level 3: Based on the results of level 2 a technical approximation is developed.