Publications PSE group

Geschke, A.; Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Core‐Shell Catalyst Pellets for CO2Methanation in a Pilot‐Scale Fixed‐Bed Reactor. Chemie Ingenieur Technik 96, pp. 1718 - 1725 (2024)

Hu, Y.; Gani, R.; Sundmacher, K.; Zhou, T.: Assessing the future impact of 12 direct air capture technologies. Chemical Engineering Science 298, 120423 (2024)

König-Mattern, L.; Sanchez Medina, E. I.; Komarova, A. O.; Linke, S.; Rihko-Struckmann, L.; Luterbacher, J. S.; Sundmacher, K.: Machine learning-supported solvent design for lignin-first biorefineries and lignin upgrading. Chemical Engineering Journal 495, 153524 (2024)

Matthies, E.; Beer, K.; Böcher, M.; Sundmacher, K.; König-Mattern, L.; Arlinghaus, J.; Blöbaum, A.; Jaeger-Erben, M.; Schmidt, K.: Framework conditions for the transformation toward a sustainable carbon-based chemical industry – A critical review of existing and potential contributions from the social sciences. Journal of Cleaner Production 470, 143279 (2024)

Otrin, N.; Otrin, L.; Bednarz, C.; Träger, T. K.; Hamdi, F.; Kastritis, P. L.; Ivanov, I.; Sundmacher, K.: Protein-Rich Rafts in Hybrid Polymer/Lipid Giant Unilamellar Vesicles. Biomacromolecules 25 (2), pp. 778 - 791 (2024)

Peterson, L.; Bremer, J.; Sundmacher, K.: Challenges in data-based reactor modeling: A critical analysis of purely data-driven and hybrid models for a CSTR case study. Computers & Chemical Engineering 184, 108643 (2024)

Schultheis, A.; Tenberg, V.; Rihko-Struckmann, L.; Sundmacher, K.; Lorenz, H.: Crystallization‐Based Separation of ε‐Caprolactam from a Depolymerization Reaction Mixture – Fundamentals and Potential Separation Strategies. Chemie Ingenieur Technik 96 (12), pp. 1620 - 1631 (2024)

Sorrentino, A.; Sundmacher, K.; Vidaković-Koch, T.: Assessment of frequency response techniques in diagnosing polymer electrolyte membrane fuel cells. iScience 27, 110254 (2024)

Svitnič, T.; Beer, K.; Sundmacher, K.; Böcher, M.: Optimal design of a sector-coupled renewable methanol production amid political goals and expected conflicts: Costs vs. land use. Sustainable Production and Consumption 44, pp. 123 - 150 (2024)

Svitnic, T.; Sundmacher, K.: Identifying standard and simple designs of Power-to-Methanol processes: The costs of complexity reduction. Energy Conversion and Management 307, 118325 (2024)

Varničić, M.; Fellinger, T.-P.; Titirici, M.-M.; Sundmacher, K.; Vidaković-Koch, T.: Rational Design of Enzymatic Electrodes: Impact of Carbon Nanomaterial Types on the Electrode Performance. Molecules 29 (10), 2324 (2024)

Vhora, K.; Thévenin, D.; Janiga, G.; Sundmacher, K.: CFD Analysis of the Flow in Schwarz‐D TPMS Structures for Engineering Applications. Chemie Ingenieur Technik 96, pp. 1683 - 1696 (2024)

Weinhold, H.; Peterson, L.; Müller, T. D.; Wekenborg, K.; Grünewald, M.; Rarey, J.: Improving the Accuracy of Activity Coefficient Estimation in Specialty Chemistry Using Local Estimators. Industrial & Engineering Chemistry Research 63, pp. 7902 - 7914 (2024)

Woodall, C. M.; Vaz Gomes, K.; Voigt, A.; Sundmacher, K.; Wilcox, J.: Tuning acid extraction of magnesium and calcium from platinum group metal tailings for CO2conversion and storage. RSC Sustainability 2 (11), pp. 3320 - 3333 (2024)

Zhou , Y.; Cao, X.; Shang, J.; Sundmacher, K.; Zhou, T.: Multiscale screening of metal‐organic frameworks for one‐step ethylene purification in pressure‐swing adsorption processes. AIChE Journal 70 (11), e18544 (2024)

Zimmermann, R. T.; Sundmacher, K.: Core–Shell Catalyst Pellets for Reaction Heat Release Control in Fixed-Bed Reactors. Industrial & Engineering Chemistry Research 63 (17), pp. 7556 - 7564 (2024)

Gosea, I. V.; Peterson, L.; Goyal, P. K.; Bremer, J.; Sundmacher, K.; Benner, P.: Learning Reduced-Order Quadratic-Linear Models in Process Engineering using Operator Inference. In: ENUMATH 2023 Proceedings (accepted)

Bodenstein, F.; Dieckmann, S.; Dittler, D.; Geschke, A.; Jazdi, N.; Weyrich, M.: Digital Twin to Enhance Offshore Power-to-X Platforms with Operational Alarm Management. 57th CIRP Conference on Manufacturing Systems 2024 (CMS 2024), Póvoa de Varzim, Portugal, May 29, 2024 - May 31, 2024. Procedia CIRP 130, pp. 780 - 785 (2024)

Hegde, C.; Voigt, A.; Sundmacher, K.: Towards pH Swing-based CO2 Mineralization by Calcium Carbonate Precipitation: Modeling and Experimental Analysis. In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 1519 - 1524 (Eds. Manenti, F.; Reklaitis, G. V.). 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Kakanov, M.; Hiremath, S. A.; Voigt, A.; Sundmacher, K.; Bajcinca, N.: Learnable Adaptive and Robust Controller for a Two Particle Carbonate Precipitation Process. In: 2024 European Control Conference (ECC), pp. 3868 - 3875. 2024 European Control Conference (ECC), Stockholm, Sweden, June 25, 2024 - June 28, 2024. IEEE, Boca Raton (2024)

Kay, S.; Sanchez Medina, E. I.; Sundmacher, K.; Zhang, D.: A symbolic regression based methodology for the construction of interpretable and predictive thermodynamic models. In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 2701 - 2706 (Eds. Manenti, F.; Reklaitis, G. V.). 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Peterson, L.; Bremer, J.; Goyal, P. K.; Gosea, I. V.; Benner, P.; Sundmacher, K.: Learning Reduced-Order Models for Dynamic CO₂ Methanation using Operator Inference. In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 3319 - 3324 (Eds. Manenti, F.; Reklaitis, G. V.). ESCAPE34 - PSE24, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Sethi, S.; Zhang, X.; Sundmacher, K.: Rational Function-based Approach for Integrated Ionic Liquid Solvent Selection and Extractive Distillation Process Design. 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 1345 - 1350 (2024)

Svitnic, T.; Sundmacher, K.: Spatially Distributed Power-to-Methanol Plants in Dissimilar Locations: Specific or Standardized Designs? In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 1531 - 1536 (Eds. Manenti, F.; Reklaitis, G. V.). 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Vhora, K.; Neeraj, T.; Thévenin, D.; Janiga, G.; Sundmacher, K.: Investigating Fluid Flow Dynamics in Triply Periodic Minimal Surfaces (TPMS) Structures Using CFD Simulation. In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 709 - 714 (Eds. Manenti, F.; Reklaitis, G. V.). 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Balasbas III, S.; Sundmacher, K.: Kinetics of Synthetic Multi-Enzyme Reaction Networks: Dynamic Flux Estimation by use of Piecewise Cubic Hermite Interpolating Polynomials (PCHIP). International Symposium on Chemical Reaction Engineering 2024, ISCRE 28, Turku Finland (2024)

Dam, A. P.; Franz, T.; Papakonstantinou, G.; Sundmacher, K.: Catalyst Dissolution in PEM Water Electrolysis: Influence of Time, Current Density, Temperature and Iridium Ion Transport in Single-Pass and Recirculation Water Flow Modes. Electrochemistry 2024, Braunschweig, Germany (2024)

Franz, T.; Dam, A. P.; Papakonstantinou, G.; Sundmacher, K.: Analysis of PEM water electrolysis system operation strategies and their impact on iridium catalyst dissolution based on onshore wind data. EHEC (European Hydrogen Energy Conference), Bilbao, Spain (2024)

Ganzer, C.; Rihko-Struckmann, L.; Sundmacher, K.: Annual Meeting: Life Cycle Assessment for Polyamide 6: Production, Recycling, Disposal. 2024 AIChE Annual Meeting , San Diego, USA (submitted)

Hamedi, D.; Ganzer, C.; Sundmacher, K.: Hydrogen pipeline networks: retrofit vs. new-built. EHEC (European Hydrogen Energy Conference), Bilbao, Spain (2024)

Hamedi, D.; Ganzer, C.; Sundmacher, K.: Hydrogen pipeline networks: repurposing of natural gas networks vs. design from scratch. 2024 AIChE Annual Meeting , San Diego, USA (submitted)

Hiremath , S.A.; Kakanov , M.; Voigt, A.; Sundmacher, K.; Bajcinca , N.: Learning based Adaptive Robust Control of a Precipitation Process. ESCAPE-34, Florence, Italy (2024)

Kay, S.; Sanchez Medina, E. I.; Sundmacher, K.; Zhang, D.: A symbolic regression based methodology for the construction of interpretable and predictive thermodynamic models. ESCAPE-34, Florence, Italy (2024)

Klimek, A.; Ganzer, C.; Sundmacher, K.: Enhancing superstructure optimization via embedded neural networks in optimal process design for sustainable aviation fuel (SAF) production. ESCAPE34, Florence, Italy (2024)

Klimek, A.; Svitnic, T.; Ganzer, C.; Sundmacher, K.: The influence of technical, economic, and site-specific factors on optimal ammonia production from renewables. 2024 AIChE Annual Meeting , San Diego, USA (submitted)

König-Mattern, L.; Sanchez Medina, E. I.; Komarova, A. O.; Linke, S.; Rihko-Struckmann, L.; Luterbacher, J. S.; Sundmacher, K.: PSEvolve: A graph-based solvent design framework. ESCAPE34 , Florence, Italy (2024)

Peterson, L.; Bremer, J.; Goyal, P. K.; Gosea, I. V.; Benner, P.; Sundmacher, K.: Learning reduced-order models for dynamic CO2 methanation using operator inference. ESCAPE-34, Florence, Italy (2024)

Peterson, L.; Goyal, P. K.; Pontes Duff, I.; Gosea, I. V.; Bremer, J.; Benner, P.; Sundmacher, K.: Stability-Guaranteed Inference of Reduced-Order Models with Control of Power-to-X Processes. 2024 AIChE Annual Meeting, San Diego, USA (submitted)

Sanchez Medina, E. I.; Minor, A.-J.; Sundmacher, K.: A Comparison of the UNIFAC Model vs. Graph Neural Network-based Models for the Prediction of Binary Vapor-Liquid Equilibria. 33rd European Symposium on Applied Thermodynamics 2024, Edinburgh, UK (2024)

Svitnic, T.; Sundmacher, K.: Spatially distributed power-to-methanol plants in dissimilar locations: specific or standardized designs? ESCAPE34, Florence, Italy (2024)

Svitnic, T.; Sundmacher, K.: Investigating the design of global-scale Power-to-Methanol production systems: Large- or small-scale chemical plants? 2024 AIChE Annual Meeting , San Diego, USA (submitted)

Zimmermann, R. T.; Geschke, A.; Peterson, L.; Bremer, J.; Sundmacher, K.: A Smart Catalytic Fixed-Bed Reactor for CO2 Methanation. Achema 2024 , Frankfurt, Germany (2024)

Franz, T.; Dam, A. P.; Papakonstantinou, G.; Sundmacher, K.: Analysis of PEM water electrolysis system operation strategies and their impact on iridium catalyst dissolution during realistic on/off-operation. Electrochemistry 2024, Braunschweig, Germany (2024)

Ganzer, C.; Sundmacher, K.: Systematic comparison of flowsheet optimization options: surrogate modelling vs. genetic algorithms vs Bayesian optimization. 34th Eu­ro­pean Sym­po­si­um on Com­pu­ter-Ai­ded Pro­cess En­gi­nee­ring (ES­CAPE-34), Florence, Italy (2024)

Geschke, A.; Bremer, J.; Sundmacher, K.: Learning a Data-Driven Reactor Model from Experimental Data of a Continuously Operated Fixed-Bed CO2 methanation Reactor on Pilot-Scale. 2024 AIChE Annual Meeting , San Diego, USA (submitted)

Gochitashvili, T.; Ivanov, I.; Van Wonderen, J.; Clarke, T. A.; Sundmacher, K.: Creating conductive GUVs. SynCell2024 International Conference on Engineering Synthetic Cells and Organelles, Toulouse, France (2024)

Goldhahn, R.; Minor, A.-J.; Rihko-Struckmann, L.; Sundmacher, K.: Facilitating the depolymerization of polyamide 6 (PA6) by ultrasound and microwave assistance using CaCl2-EtOH-H2O mixture for polymer dissolution. ISCRE 28: International Symposium on Chemical Reaction Engineering 2024 , Turku, Finland (2024)

Griehl, C.; Sanchez Medina, E. I.; Sundmacher, K.: BOHO CAT - Bayesian Optimization for Low Throughput Ligand Selection in Homogeneous Catalysis. Cambridge ELLIS Unit Summer School 2024, Cambridge, UK (2024)

Griehl, C.; Sanchez Medina, E. I.; Sundmacher, K.: Rapid phosphine ligand discovery in homogeneous catalysis: Bayesian optimization approach for low-throughput experimentation. CHISA 2024, Prague, Czech Republic (2024)

Hegde, C.; Voigt, A.; Sundmacher, K.: Towards pH swing-based CO2 mineralization for Calcium Carbonate precipitation: Modeling and Experimental Analysis. 34th Eu­ro­pean Sym­po­si­um on Com­pu­ter-Ai­ded Pro­cess En­gi­nee­ring (ES­CAPE-34), Florence, Italy (2024)