Supervisor:Rakhi

Start: Immediately

Catalytic surfaces play a pivotal role in numerous industrial processes, serving as catalysts for chemical reactions that enable the efficient conversion of raw materials into valuable products. Understanding the thermodynamic properties of these catalytic surfaces is essential for optimizing their performance and designing novel catalytic systems with enhanced efficiency. Theoretical models provide a powerful approach to explore and interpret the underlying mechanisms governing these intricate surface phenomena.

This master thesis aims to delve into the fascinating realm of catalytic surfaces by analyzing various theoretical models that describe their thermodynamic properties. By merging principles of surface science, chemical engineering, and computational modeling, this research seeks to shed light on the fundamental interactions occurring at the atomic level, uncovering insights that hold immense potential for advancing catalysis-driven technologies.

Tasks:

• Literature review, computational simulations, and data analysis.
• Utilizing advanced computational tools and software packages, theoretical models will be implemented to simulate the solid surfaces under different theories.
• The gathered data will be thoroughly analyzed and compared to experimental results (if available), ensuring a robust evaluation of the models' performance.

Prerequisites:

• Master student in process engineering, chemical engineering, mechanical engineering, environmental engineering, chemistry, Applied mathematics, Physics or comparable studies;
• IT knowledge: experienced handling of office software and data processing software (such as gnuplot and CASTEP), coding skills are welcome;
• Prior experience or coursework in computational chemistry, molecular modeling, DFT or using quantum chemistry software packages would be advantageous;
• Proficiency in relevant mathematical tools and techniques is valuable.
• Interpersonal skills: capacity for independent work, excellent programme achievement, curiosity.

Interested? Then email: rakhi(at)b-tu.de

Supervisor: Adina Werner

Start: immediately

The Chair of Thermodynamics/Thermal Process Engineering is looking for students who would like to carry out a final thesis (Bachelor's/Master's) in the field of simulation of lithium-ion accumulators.

A programme already exists at the chair, which needs to be expanded and improved. This includes sensitivity analyses of already existing models, introduction of new models, validation against further experiments.

The exact topic can be adapted to the respective interests.

Please contact: adina.werner(at)b-tu.de

Supervisor: Adina Werner

Start: immediately

The Chair of Thermodynamics/Thermal Process Engineering is looking for students who would like to carry out a final thesis (Bachelor's/Master's) in the field of simulation of diesel sprays. Extensive software for 3D CFD simulation is available at the chair. The existing models must be further analysed and improved. Priority must be given to adapting them to existing experimental data. Furthermore, they have to be improved with respect to their required simulation time.

The exact topic can be adapted to the respective interests.

Please contact: adina.werner(at)b-tu.de