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Technische Universität Darmstadt | Mathematische Modellierung und Analysis

Master thesis in the field of renewable energies (Clean Circles project)

  • Online seit 13.10.2021
  • 211013-496707
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Master’s thesis “Automated identification of compartments in chemical reactor networks”

Within the Clean Circles cluster project (www.clean-circles.tu-darmstadt.de), a Master’s thesis project is offered at the Mathematical Modeling and Analysis Group (MMA, www.mma.tu-darmstadt.de) of TU Darmstadt.

In the Clean Circles project, iron and its oxides are investigated to become a carbon-free chemical energy carrier which stores renewable electricity from wind and solar power. Within this unique research approach, the TU Darmstadt leads a cooperation with the Darmstadt University of Applied Sciences, the KIT of Karlsruhe, the DLR institute for low-carbon industrial processes and the JG-University of Mainz. 23 scientists from chemistry, mathematics, engineering, political sciences and economical science work together in a multidisciplinary team. The cluster is divided into four fields of study: reduction processes, oxidation processes, thermodynamic-mathematical analysis and political/economic analysis.

In our subproject, which is part of the thermodynamic-mathematical analysis field, we develop scale-and complexity-reduced models of iron reduction and oxidation in a chemical reactor, using so-called reactor network models. The idea behind is to approximate the real reactor with its very complex flow structure by establishing a network of ideal reactors instead. These ideal reactors have far simpler modeling equations, which leads to strongly reduced computation times compared to fully resolved flow simulations. This way, broad range parameter studies are enabled, which are a key element for the research transfer from Clean Circles to industry. 

A crucial step while building a network model is the identification of functional areas (“compartments”) of the reactors from the flow structure. Until now, this is often done manually. Therefore, in this Master’s thesis, this step shall be (at least partially) automated. Automated procedures to identify the compartments can enhance the robustness of the models and the algorithm transparency. Hence, this Master’s thesis plays an important part in the mathematical modeling within Clean Circles.

The goal of the Master’s thesis is to:
* identify suitable methods to tackle the problem and
* develop and implement algorithms to (semi-) automate the identification of compartments in flow reactors.


Helpful previous knowledge:
* Good knowledge in mathematics, especially numerics and (partial) differential equations as can be acquired in mathematics, physics, computational or chemical engineering or related studies.
* Good knowledge in physics, especially in fluid and continuum mechanics.
* Programming experience in languages as C/C++, Python, Fortran or Matlab.
* Enjoying scientific and interdisciplinary work.
* The time scope of the project depends on the study regulations.

A possible approach to solve the problem includes machine learning methods. Therefore, also students with previous knowledge in that area are invited to contact us. The Master’s thesis is available from now (October 2021).


Art der Beschäftigung
Nach Vereinbarung
Zeitraum der Beschäftigung
Nach Vereinbarung
Freitag, 31. Dezember 2021 - 23:59


Hochschule / Einrichtung
Technische Universität Darmstadt
Institut / Einrichtung
Mathematische Modellierung und Analysis
Alarich-Weiss-Straße 10
64287 Darmstadt, Deutschland
Herr Dr. Mathis Fricke


Herr Dr. Mathis Fricke



Technische Universität Darmstadt | Mathematische Modellierung und Analysis


Alarich-Weiss-Straße 10
64287 Darmstadt