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Master Thesis – Development of Digital Twins for Two-Phase Flows using CFD

Background

This work specifically targets the optimization of production and combustion/gasification processes (e.g., using gassed stirred tanks or fluidized beds), process that requires precise control of the reactor environment, particularly regarding mass transfer and reactions. However, full 3D simulations are often too computationally expensive for real-time control. To address this, we are creating Digital Twins to bridge the gap between high-fidelity simulations and scale-up, as well as real-time control strategies, e.g., Model Predictive Control (MPC). The task of your master thesis is to generate reduced-order models by applying unsupervised machine learning algorithms (“clustering”) to CFD data. Your work will serve as the foundation for advanced control strategies or scale up, and is intended for implementation in industrial projects.

Tasks

  • Digitalization: Create a digital representation (CAD/Mesh) of a specific small-scale bioreactor, or another relevant two-phase flow.
  • Simulation: Perform multiphase CFD simulations using OpenFOAM (reactingTwoPhaseEulerFoam) and/or SimVantage’s “AiBAT tool” to resolve mass transfer rates (e.g., O2, CO2 and/or H2 dissolution in a bioreactor).
  • Clustering: Apply our in-house Python tool “CLARA” to the CFD data. You will identify flow regimes and divide the reactor into "compartments" based on hydrodynamics and concentration fields.
  • Validation: Verify the accuracy of your Compartment Model (CM) against a separate set of detailed CFD results.

Expected Results

  • A validated Digital Twin (CAD/Mesh) of a two-phase reactor (e.g., bioreactor)
  • A functional Compartment Model (CM) generated with our automated clustering algorithm
  • Validation runs to demonstrate the accuracy of the CM

We offer: cutting edge software tools, weekly supervision meetings, integration into research projects, as well as monetary compensation

Start: Anytime

Contact: Michael Mitterlindner, +43 316 873 30411, mitterlindnernoSpam@tugraz.at
(Supervisor: Stefan Radl)

 


Master Thesis - Advanced Radiation Modeling for Li-Ion Battery Thermal Runaway

Background

As part of the “SafeSustain” Project (lead by Virtual Vehicle GmbH), we research the thermal runaway of Li-Ion batteries to enhance e-mobility safety. Specifically, during failure of a cell, batteries emit a high-temperature gas-particle jet that poses a major propagation risk.

We currently simulate radiation phenomena in these jets using OpenFOAM and a custom raytracing tool (“RayFactor”). In this thesis, you will optimize this workflow and extend the physical models to account for complex particle behaviors like orientation and spatial accumulation.

Tasks (You will focus on one or more of the following topics)

  • Complex Particle Shapes: Develop a Machine Learning model to incorporate the effect of particle orientation (e.g., flakes) on radiation.
  • Hybrid Radiation Modeling: Implement a dual-mode approach in OpenFOAM to expand the models’ fidelity
  • Smart Sampling & ML: Optimize preprocessing routines (e.g., via Gaussian Processes) to efficiently compute view factors
  • Model effects of spatial particle accumulation on radiation phenomena

Expected Results

  • Enhanced radiation models implemented in OpenFOAM
  • Python-based preprocessing tools for efficient view factor mapping
  • Validation of new models against benchmark cases (experimental results will be done in a partner project).
  • Contribution to simulation tools for safer battery technology

We offer: cutting edge software tools, weekly supervision meetings, integration into a research project, as well as monetary compensation

Start: ANYTIME

Contact: Michael Mitterlindner, +43 316 873 30411, mitterlindnernoSpam@tugraz.at
(Supervisor: Stefan Radl)


Paid Master Thesis - Modeling the pH Distribution in a Cell-Culture Bio-Reactor

Background

The Institute of Process and Particle Engineering together with the spin-off company SimVantage successfully are developing simulation and AI tools for industrial-scale bioprocesses that are already used around the world.

We are proposing a master thesis to model the pH distribution inside a stirred tank (bio-) reactor. pH has significant impact on product quality, viable cell density and titer. The project includes the modelling of the buffer systems inside the fermentation broth or cell culture media. The fluid flow field and the distribution of substance inside the reactor is already available in the software. The task of your master thesis is to calculate the pH value based in the concentrations in every part of the reactor.

Your work will have major impact on the capabilities of current simulation tools and will be implemented in industrial projects.

Tasks

  • Literature Review: Understand buffer systems and existing pH modeling approaches.
  • Model Development: Develop a mathematical model to calculate pH based on buffer equilibria and concentration fields.
  • Implementation: Integrate the pH model into existing simulation software with predefined flow and concentration data.
  • Validation: Verify the model using test cases and, if possible, compare with experimental or literature data.
  • Documentation: Summarize methods, results, and insights in a written thesis and final presentation.

Expected Results

  • A computational model that accurately predicts pH distributions in a stirred tank reactor based on known concentration fields and buffering systems.
  • An implemented module integrated into the existing simulation framework.
  • Validation results showing the plausibility and numerical correctness of the pH distribution under various conditions.
  • A well-structured thesis document with scientific depth and practical relevance to bioprocess simulation

Start: ANYTIME

Contact: Univ. Prof. Dr. Johannes Khinast, +43 316 873 30400, khinastnoSpam@tugraz.at


Master Thesis - DiskStack

The Institute of Process and Particle Engineering, in collaboration with the spin-off SimVantage, is developing simulation and AI tools for the design and optimization of industrial bioprocessing units. Disk stack centrifuges are widely used in biotechnology and pharmaceutical manufacturing for continuous solid–liquid separation, such as harvesting cells or clarifying fermentation broth. However, scaleup and scaledown pose massive problems.

Background

This master thesis focuses on developing a computational model to simulate the separation performance of a disk stack centrifuge. The objective is to predict the spatial and temporal distribution of particles and the efficiency of separation under varying operational conditions. Flow fields and geometry representations are already available in the existing simulation software. Your task will be to integrate particle transport and sedimentation modeling into this framework.

Tasks

  • Literature Review: Review centrifuge principles, particle settling in rotating systems, and existing separation models.
  • Model Development: Develop a mathematical model for particle transport and separation based on centrifugal sedimentation.
  • Implementation: Integrate the model into the current simulation software.
  • Validation: Test the model with representative cases and, if possible, validate against literature or experimental data.
  • Documentation: Summarize methodology, results, and conclusions in a thesis and presentation.

Expected Results

  • A predictive model for particle separation in a disk stack centrifuge based on hydrodynamics and particle properties.
  • A working simulation module integrated into the existing software framework.
  • Validation of the model under various operating scenarios.
  • A comprehensive and practically oriented thesis contributing to advanced process simulation tools.

You will be part of an internationally recognized research group and company!

Start: Anytime

Contact: Univ. Prof. Dr. Johannes Khinast, +43 316 873 30400, khinastnoSpam@tugraz.at


Literaturstudie Produktströme der Holzpyrolyse


Paid Master Thesis or Student Job - Developing a Novel Drug Delivery System for Special Patients

Background

The Institute of Process and Particle Engineering is a world leader in the development of pharmaceutical products and processes.

In this context, we are offering a paid master thesis where the student is employed at an external company.

The goal of the master thesis is to create the basis for product development, focusing on a novel drug delivery system where the medicine is contained in a flavored gel, either as solution, emulsion or suspension. Drug delivery occurs via breaking a seal of a snap-package and sucking out the flavored gel. Target patient populations includes:

  • Geriatric patients (frail & old patients)
  • Pediatric patients (kids)
  • Emergency applications

Tasks

  • Literature study on competitor products and patent situation
  • List of the 20-30 most important medicines for the three target populations and corresponding biopharmaceutical classification
  • Research on formulation strategies (solutions, emulsions, suspension) with sufficient stability
  • Selection of 3 model APIs (different categories) and formulation of the gels
  • Stability testing under stress conditions

Requirements

  • Background in pharmaceutical sciences, pharmaceutical engineering or medicines
  • Student in pharmacy, pharmaceutical engineering, chemical engineering or related

What we offer:

  • Integration in an internationally leading team
  • Opportunity to be part of a commercialization project
  • Paid thesis

Start: Spring 2021

Contact: Univ.-Prof. Dr. Johannes Khinast, khinastnoSpam@tugraz.at


Paid Master Thesis or student job: Comparing Bioreactors with different scales and/or geometries

Background

The Institute of Process and Particle Engineering is a world leader in the development of simulation tools for industrial-scale bioprocessing units, funded by the Spin-Off Fellowship Program of the FFG. For example, our current code can model processes in large-scale bioreactors, up to 200m3 .
We are therefore offering a student job with the possibility to do a master thesis with the goal of creating a comparison algorithm for bioreactors. The objective is to find the influencing factors that determine the productivity difference between reactors. This should be done by comparing reactors of different scales and for reactors at the same scale but different geometry and should aid scale up or process transfer processes in the industry.

Tasks

  • Literature study on available influencing factors or comparison concepts for the production in bioreactors using cells or microorganisms
  • Propose an algorithm for the comparison of reactors
  • Do scale ups or process transfer virtually

Requirements

  • Background in biotechnology, biochemistry, molecular microbiology or similar
  • Being familiar with industrial production in bioreactors

What we offer:

  • Integration in an internationally leading team
  • Opportunity to be part of a commercialization project
  • Paid thesis

Start: Fall 2020

Contact
Dr. Christian Witz
0316 873 30416
christian.witznoSpam@tugraz.at


Kontakt
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Michaela Cibulka
Mag.phil.
Tel.
+43 316 873 - 30403