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: Boosting the Chemical Hydrogenolysis of Glycerol to 1,2-Propanediol to Almost Perfect Selectivity Using a Multifunctional Ru–Cu Carbon-Nanotube-Supported Catalyst doi.org/10.1021/acssuschemeng.6c02083 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 - Daniel Niehaus, 0000-0001-7217-7583, da.niehaus@t-online.de, Institute of Technical and Macromolecular Chemistry, University of Hamburg, Hamburg, Germany - Nazanin Tahkhani, nazanin.taherkhani44@gmail.com, 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 - Dorothea Voß, 0000-0003-1693-8012, dorothea.voss@uni-hamburg.de, Institute of Technical and Macromolecular Chemistry, University of Hamburg, Hamburg, Germany - Dominique Lumpp, 0009-0008-4083-0355, dominique.lumpp@uni-hamburg.de, Institute of Technical and Macromolecular Chemistry, University of Hamburg, Hamburg, Germany - Baldur Schroeter, 0000-0002-2577-055X, baldur.schroeter@tuhh.de, Institute of Thermal Separation Processes, Hamburg University of Technology, Eißendorfer Straße 38, 21073 Hamburg - 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 - Irina Smirnova, 0000-0003-4503-4039, irina.smirnova@tuhh.de, Institute of Thermal Separation Processes, Hamburg University of Technology, Eißendorfer Straße 38, 21073 Hamburg - 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: Boosting the Chemical Hydrogenolysis of Glycerol to 1,2-Propanediol to almost perfect selectivity using a multifunctional Ru-Cu Carbon-Nanotube supported catalyst. Short Description: This dataset contains the research data for the publication "Boosting the Chemical Hydrogenolysis of Glycerol to 1,2-Propanediol to Almost Perfect Selectivity Using a Multifunctional Ru–Cu Carbon-Nanotube-Supported Catalyst". It consists of analytics and computer code for the kinetic model. catalyst activity studies and analytics. Date of Data Collection: 2024–2026 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 sapmles: The liquid samples taken before, during, and after the reaction were analyzed by high-performance liquid chromatography (HPLC) for the detection of 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 the data generated by the HPLC. 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 │ ├── Catalyst_loading_variation/ #Contains folders of the catalyst loading experiments │ │ ├── 200mg_Kat/ #Contains raw data of the 200 mg 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 │ │ ├── 350mg_Kat/ #Contains raw data of the 350 mg 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 │ │ ├── 800mg_Kat/ #Contains raw data of the 800 mg 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 │ │ ├── 1000mg_Kat / #Contains raw data of the 1000 mg 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 │ ├── Glycerol_variation/ #Contains folders of the glycerol variation experiments │ │ ├── 2.5_glycerin/ #Contains raw data of the 2.5% 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 │ │ ├── 5_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 │ │ ├── 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 │ │ ├── 80_glycerin/ #Contains raw data of the 80% 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 │ │ ├── 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 │ │ ├── 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_V1/ #Contains raw data of the V1 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 │ │ ├── 25barH2_V2/ #Contains raw data of the V2 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 │ │ ├── 25barH2_V3/ #Contains raw data of the V3 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 │ │ ├── 25barH2/ #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 │ │ ├── 30barH2/ #Contains raw data of the 30 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 │ │ ├── 40barH2/ #Contains raw data of the 40 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 │ │ ├── 50barH2/ #Contains raw data of the 50 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 │ ├── Stirrer_speed_variation/ #Contains folders of the stirrer speed variation experiments │ │ ├── 400RPM/ #Contains raw data of the 400 RPM 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 │ │ ├── 600RPM/ #Contains raw data of the 600 RPM 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 │ │ ├── 800RPM/ #Contains raw data of the 800 RPM 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 │ │ ├── 1000RPM/ #Contains raw data of the 1000 RPM 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 │ │ ├── 1200RPM/ #Contains raw data of the 1200 RPM 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/ #Contains folders of the temperature variation experiments │ │ ├── 200C/ #Contains raw data of the 200°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 │ │ ├── 210C/ #Contains raw data of the 210°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 │ │ ├── 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 │ │ ├── 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 ├── Mechanistic_experiments/ #Contains folders of the subsets making up the mechanistic and stability experiments │ ├── 1,2-PDO_stability/ #Contains folders of the 1,2-PDO stability experiments │ │ ├── 140°C/ #Contains raw data of the 1,2-PDO stability experiments at 140 °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_hydrogenation/ #Contains folders of the acetol hydrogenation experiments. │ │ ├── 5wt%_Acetol/ #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 │ │ ├── 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 │ ├── Blank/ #Contains raw data of the blank 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 │ ├── Glycerol_hydrogenolyis_nitrogen/ #Contains folders of the glycerol hydrogenolysis under nitrogen experiments. │ │ ├── 20%Glycerol_50barN2/ #Contains raw data of the glycerol hydrogenolysis under nitrogen 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 │ ├── MeOH+EG_stability/ #Contains folders of the meOh + EG stability experiments. │ │ ├── 20%MeOH+EG_25barH2/ #Contains raw data of the glycerol hydrogenolysis under nitrogen 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 ├── Kinetic_model/ #Contains the code of the kinetic model. │ ├── Kinetic_model_for_Glycerol_hydrogenolysis.py #Contains folders of the 1,2-PDO stability experiments ├── Methods/ #Contains the methods of the GC and HPLC measurements │ ├── GC_Method_SFB_Argon #Method of the GC measurements │ ├── HPLC_method_SFB_B_ST1_0.8 mL_45 min_Start #Method of the HPLC measurements 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. 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 4. Access and Licensing Information Repository and Persistent Identifier: Published via TORE, DOI: doi.org/10.15480/882.16745 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: Piet Hassenstein, Daniel Niehaus, Nazanin Taherkhani, Jan-Dominik H. Krueger, Dorothea Voß, Dominique Lumpp, Baldur Schroeter, Leandros Paschalidis, Irina Smirnova, Mirko Skiborowski, and Jakob Albert ACS Sustainable Chemistry & Engineering 2026 14 (15), 7559-7574 DOI: 10.1021/acssuschemeng.6c02083 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: v1.1 Date of Release: 2026-04-29 Change Log: V 1.1: Read me updated 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