Project Title: CRC 1615 SMART Reactors - Investigating self-adjustment of SMART reactors at pilot-scale - Project C03: SMART multiphase reactor for the catalytic hydrogenolysis of glycerol Related Publication: Glycerol hydrogenolysis goes SMART – Separating reaction steps as a key for tailoring selectivity and reaction control doi.org/10.1021/acs.iecr.6c00905 Principal Investigators / Authors: - Piet Hassenstein, 0009-0006-4614-7149, piet.hassenstein@uni-hamburg.de, Institute of Technical and Macromolecular Chemistry, University of Hamburg, Hamburg, Germany - Jan-Dominik Krueger, 0009-0007-5857-2932, jan-dominik.krueger@uni-hamburg.de, Institute of Technical and Macromolecular Chemistry, University of Hamburg, Hamburg, Germany - Leandros Paschalidis, 0000-0003-1578-4154, leandros.paschalidis@tuhh.de, Institute of Process Systems Engineering, Hamburg University of Technology, Am Schwarzenberg-Campus 4, 21073 Hamburg - Dorothea Voß, 0000-0003-1693-8012, dorothea.voss@uni-hamburg.de, Institute of Technical and Macromolecular Chemistry, University of Hamburg, Hamburg, Germany - Mirko Skiborowski, 0000-0001-9694-963X, mirko.skiborowski@tuhh.de, Institute of Process Systems Engineering, Hamburg University of Technology, Am Schwarzenberg-Campus 4, 21073 Hamburg - Jakob Albert, 0000-0002-3923-2269, jakob.albert@uni-hamburg.de, Institute of Technical and Macromolecular Chemistry, University of Hamburg, Hamburg, Germany Funding Acknowledgment: This data set was generated as part of the DFG-funded project CRC 1615: SMART Reactors for Future Process Engineering (DFG Project Number: 503850735). 1. General Information Data set Title: Research data for the publication: Glycerol hydrogenolysis goes SMART – Separating reaction steps as a key for tailoring selectivity and reaction control Short Description: This dataset contains the research data for the publication "Glycerol hydrogenolysis goes SMART – Separating reaction steps as a key for tailoring selectivity and reaction control". It consists of analytical results and computer code for the kinetic model. Date of Data Collection: 2025–2026 Geographical Coverage: Hamburg, Germany Keywords: Glycerol hydrogenolysis CNT-supported catalyst Heterogeneous catalysis Green chemistry Glycerol valorisation 2. Methodological Information Data Collection, Experimental Design and Processing: HPLC samples: The liquid samples collected before, during, and after the reaction were analyzed by high-performance liquid chromatography (HPLC) to detect various products using a Nexera 40 (Shimadzu). For this purpose, each sample was filtered using syringe filters (0.45 µm) before analysis and measured using a polymer phase organic acid column (300 mm x 8 mm) from Chromatographie-Service GmbH. The measurements were conducted at 25 °C with a flow rate of 0.8 mL min-1 using an aqueous sulfuric acid solution with a concentration of 4 mmol L-1. The signals were measured using a refractive index detector (RID). The detected products have been previously calibrated, as shown in the Supporting Information (section: HPLC calibration). Shimadzu Lab Solutions Version 5.124 was used to analyze HPLC data. GC samples: Gas samples were analyzed using an online gas chromatograph (Bruker 450-GC), equipped with two flame ionization detectors (FID), one thermal conductivity detector (TCD), one methanizer, and four gas 8 chromatography columns (Restek Q-Bond, Restek U-Bond, Bruker Swax, Bruker Molsieve 5Å) to analyze the gas composition. CompassCDS 3.0.0.68 was used to analyze the data generated by the GC. 3. Data and File Overview List of Files and Structure: ├── Kinetic_experiments/ #Contains folders of the subsets making up the kinetic experiments │ ├── Glycerol_variation/ #Contains folders of the glycerol variation experiments │ │ ├── 05_glycerin/ #Contains raw data of the 5% Glycerol experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 10_glycerin/ #Contains raw data of the 10% Glycerol experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 15_glycerin/ #Contains raw data of the 15% Glycerol experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 20_glycerin/ #Contains raw data of the 20% Glycerol experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 40_glycerin/ #Contains raw data of the 40% Glycerol experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ ├── Hydrogen_variation/ #Contains folders of the hydrogen variation experiments │ │ ├── 05barH2/ #Contains raw data of the 5 bar H2 experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 10barH2/ #Contains raw data of the 10 bar H2 experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 15barH2/ #Contains raw data of the 15 bar H2 experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 20barH2/ #Contains raw data of the 20 bar H2 experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 25barH2/ #Contains raw data of the 25 bar H2 experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ ├── Temperature_variation_glycerol/ #Contains folders of the temperature variation experiments using glycerol as the reactant │ │ ├── 220C/ #Contains raw data of the 220°C experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 230C/ #Contains raw data of the 230°C experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 235C/ #Contains raw data of the 235°C experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 240C/ #Contains raw data of the 240°C experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 250C/ #Contains raw data of the 250°C experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ ├── Temperature_variation_acetol/ #Contains folders of the temperature variation experiments using acetol as the reactant │ │ ├── 100C/ #Contains raw data of the 100°C experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 110C/ #Contains raw data of the 110°C experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 120C/ #Contains raw data of the 120°C experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 130C/ #Contains raw data of the 130°C experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 140C/ #Contains raw data of the 140°C experiments │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ ├── Acetol_variation/ #Contains folders of the acetol variation experiments │ │ ├── 05_acetol/ #Contains raw data of the 05 wt.% Acetol experiment │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 07.5_acetol #Contains raw data of the 07.5 wt.% Acetol experiment │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 10_acetol/ #Contains raw data of the 10 wt.% Acetol experiment │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 12.5_acetol/ #Contains raw data of the 12.5 wt.% Acetol experiment │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 15_acetol/ #Contains raw data of the 15 wt.% Acetol experiment │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters ├── Stability_experiments/ #Contains folders of the stability experiments │ ├── Acetol_stability/ #Contains folders of the Acetol stability experiments │ │ ├── 220_14Gly_1Acetol/ #Contains raw data of the stability experiment containing 14 wt.% Glycerol and 1 wt.% Acetol experiments at 220 °C. │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 220°C/ #Contains raw data of the 1,2-PDO stability experiments at 220 °C. │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── Acetol+Glycerol/ #Contains raw data of the pure acetol hydrogenation. │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves. │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters ├── Repetition_experiments/ #Contains folders of the acetol hydrogenation experiments. │ ├── Glycerol_dehydration/ #Contains folders for the repetition experiments of the glycerol dehydration. │ │ ├── 05_glycerin_1/ #Contains raw data of the first 5% Glycerol repetition experiment. The third sample to determine the averages is the kinetic experiment. │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters │ │ ├── 05_glycerin_2/ #Contains raw data of the second 5% Glycerol repetition experiment. The third sample to determine the averages is the kinetic experiment. │ │ | ├── HPLC #Contains raw HPLC data │ │ | ├── GC #Contains raw GC data │ │ | ├── [Name].dat #Contains the experiment temperature, time, and pressure curves │ │ | ├── Versuchsparameter.txt #Contains the experiment parameters ├── Methods/ #Contains the methods used for HPLC and GC ├── Kinetic_model/ #Contains the kinetic models GC data files are eiether csv or txt files. HLPC data files are either pdf or txt files File naming system for GC and HPLC files: [Epxeriment]_X X denotes the sample number and the time during the experiment when the sample was taken. For dehydration experiments the samples were taken at the following times: Time HPLC Sample number GC sample number 0 0 0 15 1 - 30 2 1 45 3 - 60 4 2 90 5 3 120 6 4 180 7 5 240 8 6 300 9 7 360 10 8 420 11 9 For hydrogenation experiments the samples were taken at the following times: Time HPLC Sample number GC sample number 0 0 0 1 1 - 2 2 - 3 3 - 4 4 - 5 5 - 10 6 - 15 7 - 30 8 1 45 9 - 60 10 2 4. Access and Licensing Information Repository and Persistent Identifier: Published via TORE, DOI: doi.org/10.15480/882.16747 License for Use: CC BY 4.0 License for the Python code: GNU GPL license Please cite the associated publication when using this dataset. Text for Citation: Hassenstein, P., Krueger, J. H., Paschalidis, L., Voß, D., Skiborowski, M., & Albert, J. (2026). Glycerol hydrogenolysis goes SMART─Separating reaction steps as a key for tailoring selectivity and reaction control. Industrial & Engineering Chemistry Research. https://doi.org/10.1021/acs.iecr.6c00905 5. Reproducibility and Software Dependencies Software Required: Shimadzu Lab Solutions Version 5.124 to read HPLC Method files. CompassCDS 3.0.0.68 to read the GC method files 6. Versioning and Updates Version Number: v1.0 Date of Release: 2026-06-09 7. Contact Information Corresponding Author: Jakob Albert, 0000-0002-3923-2269, jakob.albert@uni-hamburg.de, Institute of Technical and Macromolecular Chemistry, University of Hamburg, Hamburg, Germany // https://www.tuhh.de/sfb1615/welcome