Publications PSE group

Chang Dominguez, D.; Dam, A. P.; Richter, T.; Sundmacher, K.; Alia, S. M.: Application of a Temporal Multiscale Method for Efficient Simulation of Degradation in PEM Water Electrolysis under Dynamic Operation. Computers and Chemical Engineering 198, 109083 (2025)

Dam, A. P.; Franz, T.; Papakonstantinou, G.; Sundmacher, K.: Catalyst Dissolution in Pem Water Electrolysis: Influence of Time, Current Density and Iridium Ion Transport in Single-Pass and Recirculation Water Flow Modes. Applied Catalysis B: Environment and Energy 365, 124946 (2025)

Duch, K.; Kozachynskyi, V.; Rätze, K. H. G.; Illner, M.; Sundmacher, K.; Repke, J.-U.: Enhancing Reactive Microemulsion Processes: Dynamic Optimization and Cyclic Semibatch Operation for the Reductive Amination of Undecanal in a Mini-Plant. Industrial & Engineering Chemistry Research 64, pp. 520 - 534 (2025)

Ganzer, C.; Patrizio, P.; Mac Dowell, N.: Net zero in power and industry—creating or destroying value and jobs? iScience 28 (4), 112185 (2025)

Goldhahn, R.; Minor, A.-J.; Rihko-Struckmann, L.; Ohl , S.-W.; Pfeiffer, P.; Ohl, C.-D.; Sundmacher, K.: Recycling of Bulk Polyamide 6 by Dissolution- Precipitation in CaCl2-EtOH-H2O Mixtures. Recycling 10 (1), 5 (2025)

Komarova, A. O.; Warne, C. M.; Pétremand, H.; König-Mattern, L.; Stöckelmaier, J.; Oostenbrink, C.; Guebitz, G. M.; Luterbacher, J.; Pellis, A.: Xylose Acetals ‐ a New Class of Sustainable Solvents and Their Application in Enzymatic Polycondensation. ChemSusChem 18 (6), e202401877 (2025)

König-Mattern, L.; Rihko-Struckmann, L.; Sundmacher, K.: Systematic solvent selection enables the fractionation of wet microalgal biomass. Separation and Purification Technology 354 (Part 8), 129462 (2025)

Peterson, L.; Forootani, A.; Sanchez Medina, E. I.; Gosea, I. V.; Sundmacher, K.; Benner, P.: Towards Digital Twins for Power-to-X Processes: Comparing Surrogate Models for a Catalytic CO2 Methanation Reactor. IEEE Transactions on Automation Science and Engineering (2025)

Peterson, L.; Gosea, I. V.; Benner, P.; Sundmacher, K.: Digital Twins in Process Engineering: An Overview on Computational and Numerical Methods. Computers and Chemical Engineering 193, 108917 (2025)

Qin, H.; Wang, Z.; Ruan, J.; Wei, F.; Yuan, Z.; Jiao, W.; Qi, G.; Liu, Y.: Integrating machine learning model and computer-aided molecular design toward rational ionic liquid selection for separating fluorinated refrigerants. Separation and Purification Technology 356 (Part A), 129796 (2025)

Sethi, S.; Zhang, X.; Sundmacher, K.: Process-driven solvent screening for efficient extractive distillation using interpolative rational functions. Chemical Engineering Science 301, 120675 (2025)

Zimmermann, R. T.; Sundmacher, K.: Kern‐Schale‐Katalysatorpellets: Das Gelbe vom Ei für den lastflexiblen Festbett‐Reaktorbetrieb? Chemie Ingenieur Technik 97, pp. 411 - 420 (2025)

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: Numerical Mathematics and Advanced Applications ENUMATH 2023, Volume 1. ENUMATH 2023: European Conference, September 4-8, Lisbon, Portugal, pp. 365 - 376 (Eds. Sequeira, A.; Silvestre, A.; Valtchev, S.; Janela, J.). Springer, Cham (2025)

Peterson, L.; Forootani, A.; Sanchez Medina, E. I.; Gosea, I. V.; Benner, P.; Sundmacher, K.: Comparing Surrogate Models for Real-Time Dynamic Reactor Simulations. Digital Twins in Engineering 2025, Paris, France (accepted)

Zimmermann, R. T.; Sundmacher, K.: Core-Shell Catalyst Pellets: Theoretical Background, Preparation, and Experimental Validation. 58. Jahrestreffen Deutscher Katalytiker, Weimar, Germany (2025)

Sanchez Medina, E. I.; Sundmacher, K.: Graph Neural Networks embedded into Margules model for vapor-liquid equilibria prediction. (2025)

Plate, C.; Hahn, M.; Klimek, A.; Ganzer, C.; Sundmacher, K.; Sager, S.: An analysis of optimization problems involving ReLU neural networks. (2025)

Hegde, C.; Voigt, A.; Sundmacher, K.: Control strategies for the selective precipitation of CaCO3 from multi-ion solutions. ChemRxiv (2025)

Manesh, B. H.; Bajcinca, N.; Al Khatib, M.; Babazadeh, M.; Sundmacher, K.: Closed-Form Solutions for Control of Calcium Carbonate Precipitation. ChemRxiv (2025)