Master Thesis: Process simulation, heat integration and reactor modeling of an autothermal LOHC hydrogen release system

Earliest starting date: October 2026

The Challenge:

Within the large-scale research project “Oxo-LOHC – Autothermal and Ultra-Deep Hydrogen Release from LOHC Systems”, innovative concepts are being developed to improve the efficiency of hydrogen release and increase the usable storage capacity of Liquid Organic Hydrogen Carrier (LOHC) systems. A particularly promising approach is the autothermal LOHC dehydrogenation, in which the heat required for hydrogen release (dehydrogenation) is generated internally through the selective partial oxidation of the hydrogen-lean LOHC. This concept couples two parallel reactions: dehydrogenation and partial oxidation. By thermally integrating these reactions, the external heat demand can be significantly reduced or completely avoided, thereby improving overall process efficiency.

This thesis focuses on the development and simulation of an autothermal hydrogen release system in Aspen Plus for a mobile or self-sufficient application. The hydrogen-rich LOHC dicyclohexylmethane will be investigated as the hydrogen carrier. A reactor model will be developed and integrated into the overall process simulation. The objective of the thesis is to evaluate the process concept, investigate the thermal integration of the system, and identify suitable operating conditions for efficient hydrogen release.

Your Tasks:

Selection and validation of suitable thermodynamic and physical-property models for the relevant components and phases
Development and simulation of a steady-state process flowsheet for an autothermal hydrogen release system, including heat integration, in Aspen Plus
Development of a reactor model for the coupled dehydrogenation and partial oxidation reactions based on documented kinetic models
Integration of the reactor model into the overall process simulation
Perform sensitivity analysis and optimization of operating conditions
Definition and evaluation of performance indicators, particularly regarding hydrogen production and energy demand

Your Profile:

Enrolled in a master’s program in Chemical Engineering, Process Engineering, or similar
Solid knowledge of chemical reaction engineering
Knowledge of chemical engineering thermodynamics, particularly phase equilibria and thermodynamic property modelling
Experience with process simulation, preferably Aspen Plus
Experience with mathematical modeling tools, e.g. MATLAB, Python, or ACM
Independent, structured, and analytical working style
Proficiency in German or English

Comments:

The master’s thesis will be supervised by Prof. Peter Wasserscheid and Dr.-Ing. Michael Geißelbrecht

You are interested?

Then send your application, including your CV and transcript of records to Jeinny K. Patiño Rodríguez j.patino.rodriguez@fz-juelich.de.
If you have any questions or comments, feel free to get in touch via email at any time.
We look forward to receiving your application and to getting to know you!