# PhD Results Repository ## Dataset reference This dataset is deposited in TORE under the following DOI: **Dataset DOI:** https://doi.org/10.15480/882.16414 **Creator:** Ryan Rautenbach **Affiliation:** Institute of Multiphase Flows, Hamburg University of Technology (TUHH), Hamburg, Germany **ORCID iD:** 0000-0002-6943-2077 **Version:** 1.0 **Date:** 09.06.2026 **License:** CC BY 4.0 for data, results, figures, and supplementary material; MIT License for code and scripts For the full formal metadata record, please refer to the TORE landing page of the dataset. ## Recommended citation Rautenbach, R. (2026). *PhD Results Repository* [Data set]. Hamburg University of Technology. https://doi.org/10.15480/882.16414 When reusing the data, please cite the dataset DOI. If the data are used in relation to the dissertation results, please also cite the associated doctoral dissertation. ## Related publication This dataset is associated with the doctoral dissertation: Rautenbach, R. (2026). *Lagrangian-Based Characterisation of Aerated Stirred Tank Reactors*. Hamburg University of Technology, Hamburg, Germany. The final thesis PDF is not included in this repository. The repository contains raw data, processed data, figures, scripts, and supplementary material related to the dissertation. ## Research context and purpose This repository contains data generated and processed during doctoral research on the numerical and experimental characterisation of aerated stirred tank reactors. The data were used to investigate mixing behaviour, local and global mixing times, finite-time Lyapunov exponent (FTLE)-based flow structures, particle and cell lifelines, axial probability of presence, axial residence times, and related transport phenomena in stirred tank reactors. The purpose of this repository is to provide traceable storage of dissertation-related simulation data, processed datasets, post-processing material, numerical and experimental results, figures, and supplementary files. ## Repository structure Due to storage requirements in TORE, the original raw-data folder structure was split into several separate ZIP archives. The repository therefore does not contain one single `00_RAW_data/` archive. Instead, the raw-data archives listed below together represent the raw-data basis of the PhD work. ### `README.md` Main dataset-level documentation. ### `00_RAW_data-README.md` Documentation of the split raw-data archives and their relation to the original raw-data folder structure. ### `00_RAW_data-03_cell_lifeline.zip` Raw cell-lifeline data used for particle-tracking, axial probability-of-presence analysis, axial residence-time analysis, and related numerical reactor characterisation. ### `00_RAW_data-work_on_multiphase_FTLE-FTLE_simulations-0.00vvm.zip` Raw FTLE simulation data for the non-aerated operating case. ### `00_RAW_data-work_on_multiphase_FTLE-FTLE_simulations-0.05vvm.zip` Raw FTLE simulation data for the aerated operating case at 0.05 vvm. ### `00_RAW_data-work_on_multiphase_FTLE-FTLE_simulations-0.10vvm.zip` Raw FTLE simulation data for the aerated operating case at 0.10 vvm. ### `00_RAW_data-work_on_multiphase_FTLE-FTLE_simulations-0.15vvm.zip` Raw FTLE simulation data for the aerated operating case at 0.15 vvm. ### `00_raw_simulations_no_vol_results.zip` Raw simulation results excluding large volumetric result files. This archive contains retained numerical simulation outputs without the full volume-result datasets in order to reduce storage size. ### `01_processed_data_related_RAW_data.zip` Processed data derived from the raw simulations and experiments. This archive contains post-processing scripts, local mixing-time calculations, FTLE results, conductivity-based experimental mixing-time results, numerical mixing-time summaries, SMCB reactor results, aerated cell-lifeline datasets, and video-generation material. ### `02_supplements.zip` Supplementary dissertation material. This archive contains thesis-related figures, recreated figures, schematic drawings, theory figures, numerical and experimental result figures, and other supporting material. The actual thesis PDF is not included in this repository. The supplement archive therefore contains supporting material related to the dissertation, but not the final thesis document itself. ## File formats and data structures The repository contains compressed archives, raw numerical solver outputs, processed tabular datasets, post-processing scripts, and figure files. Depending on the archive, file formats may include: * `.zip` compressed archives * `.xml` simulation input files * `.txt` tabular or solver-output files * `.csv` processed tabular result files * `.vti` volumetric simulation output files, where retained * `.png`, `.svg`, and `.pdf` figure files * Python scripts or notebooks used for post-processing, where included Numerical simulation folders may contain repeated solver-output structures such as: * `Input` * `Output` * `Stats` * `BoundaryConditions` * `ParticleFreq...` * `Slice...` * `Volume...` * probe-specific folders These structures are documented at archive or directory level rather than by listing every timestep, probe file, slice file, or repeated solver-output file individually. ## Software and system environment The numerical simulations and post-processing were carried out using CFD software and Python-based analysis tools. Software used includes: * M-Star CFD / M-Star LBM-LES: version 3.12.36 * Python: 3.11 * Important Python packages: NumPy, pandas, SciPy, matplotlib, OpenCV * ParaView or other visualisation software, if used: 5.11.1 The raw simulation data can be very large. Reproducing or reprocessing the full numerical datasets requires substantial storage capacity and high-performance computing resources. Some archives may require several hundred GB of free local storage after extraction. The simulations were generated on high-performance computing systems and/or GPU-based workstations. Exact hardware requirements depend on the specific archive and processing task. Lightweight post-processing of already extracted summary files can usually be performed on a standard workstation, whereas rerunning or fully reprocessing the CFD datasets requires HPC-scale resources. ## Supplementary material and scripts Post-processing scripts, derived datasets, plotting material, and additional analysis files are stored in: `01_processed_data_related_RAW_data.zip` Supplementary figures and dissertation-related supporting material are stored in: `02_supplements.zip` Where available, scripts and processed files should be used instead of manually editing raw solver outputs. ## License and reuse This repository contains both research data and code. Different licenses apply to different parts of the repository: * Raw data, processed data, numerical results, experimental results, figures, and supplementary material are licensed under the **Creative Commons Attribution 4.0 International License (CC BY 4.0)**, unless stated otherwise. * Post-processing scripts, analysis scripts, and code are licensed under the **MIT License**, unless stated otherwise. Users reusing the data should cite the dataset DOI: https://doi.org/10.15480/882.16414 Recommended dataset citation: Rautenbach, R. (2026). *PhD Results Repository* [Data set]. Hamburg University of Technology. https://doi.org/10.15480/882.16414 If the data are used in connection with the dissertation results, please also cite the related doctoral dissertation: Rautenbach, R. (2026). *Lagrangian-Based Characterisation of Aerated Stirred Tank Reactors*. Hamburg University of Technology, Hamburg, Germany. Users reusing or adapting the code should retain the MIT license notice where applicable. ## Use of this repository The data are intended for traceable storage of dissertation-related simulation and post-processing results. Raw solver outputs should generally not be edited directly. Processed folders contain derived files and scripts that should be used for analysis, plotting, and comparison with experimental data. When using the data, the raw archives should first be extracted into their corresponding folder structure. The processed-data archive can then be used to reproduce analyses, generate plots, and compare numerical and experimental results. ## Notes on large files and split archives Several ZIP archives are very large because they contain raw numerical simulation data. The raw data were split into separate archives for storage and upload to TORE. The split is organisational only; the archives should be interpreted as parts of the same overall dissertation data repository. The FTLE simulation data are separated by aeration rate: * `0.00vvm` * `0.05vvm` * `0.10vvm` * `0.15vvm` The cell-lifeline data and other raw simulation results are stored separately to keep the repository structure traceable and to avoid one oversized archive.