Publications PSE group

Ahmad, R.; Kleineberg, C.; Nasirimarekani, V.; Su, Y.-J.; Goli Pozveh, S.; Bae, A.; Sundmacher, K.; Bodenschatz, E.; Guido, I.; Vidaković-Koch, T. et al.; Gholami, A.: Light-Powered Reactivation of Flagella and Contraction of Microtubule Networks: Toward Building an Artificial Cell. ACS Synthetic Biology 10 (6), pp. 1490 - 1504 (2021)

Bechtel, S.; Crothers, A. R.; Weber, A. Z.; Kunz, U.; Turek, T.; Vidaković-Koch, T.; Sundmacher, K.: Advances in the HCl gas-phase electrolysis employing an oxygen-depolarized cathode. Electrochimica Acta 365, 137282 (2021)

Bremer, J.; Sundmacher, K.: Novel Multiplicity and Stability Criteria for Non-Isothermal Fixed-Bed Reactors. Frontiers in Energy Research 8, 549298 (2021)

Chen, G.; Song, Z.; Qi, Z.: Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC. Chemical Engineering Science 246, 117002 (2021)

Chen, G.; Song, Z.; Qi, Z.; Sundmacher, K.: Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems. AIChE Journal 67 (4), e17171 (2021)

Hu, X.; Wang, J.; Mei, M.; Song, Z.; Cheng, H.; Chen, L.; Qi, Z.: Transformation of CO2 incorporated in adducts of N-heterocyclic carbene into dialkyl carbonates under ambient conditions: An experimental and mechanistic study. Chemical Engineering Journal 413, 127469 (2021)

Ivanov, I.; Lopez-Castellanos, S.; Balasbas III, S.; Otrin, L.; Marušič, N.; Vidaković-Koch, T.; Sundmacher, K.: Bottom-Up Synthesis of Artificial Cells: Recent Highlights and Future Challenges. Annual Review of Chemical and Biomolecular Engineering 12, pp. 287 - 308 (2021)

König-Mattern, L.; Linke, S.; Rihko-Struckmann, L.; Sundmacher, K.: Computer-aided solvent screening for the fractionation of wet microalgae biomass. Green Chemistry 23, pp. 10014 - 10029 (2021)

Ludwig, K.; Rihko-Struckmann, L.; Brinitzer, G.; Unkelbach, G.; Sundmacher, K.: β-Carotene extraction from Dunaliella salina by supercritical CO₂. Journal of Applied Phycology 33, pp. 1435 - 1445 (2021)

Maggi, A.; Garmatter, D.; Sager, S.; Stoll, M.; Sundmacher, K.: Power-to-Syngas: A Parareal Optimal Control Approach. Frontiers in Energy Research 9, 720489 (2021)

Meinusch, N.; Kramer, S.; Körner, O.; Wiese, J.; Seick, I.; Beblek, A.; Berges, R.; Illenberger, B.; Illenberger, M.; Uebbing, J. et al.; Wolf, M.; Saake, G.; Benndorf, D.; Reichl, U.; Heyer, R.: Integrated Cycles for Urban Biomass as a Strategy to Promote a CO2-Neutral Society—A Feasibility Study. Sustainability 13 (17), 9505 (2021)

Otrin, L.; Witkowska, A.; Marušič, N.; Zhao, Z.; Lira, R. B.; Kyrilis, F. L.; Hamdi, F.; Ivanov, I.; Lipowsky, R.; Kastritis, P. L. et al.; Dimova, R.; Sundmacher, K.; Jahn, R.; Vidaković-Koch, T.: En route to dynamic life processes by SNARE-mediated fusion of polymer and hybrid membranes. Nature Communications 12, 4972 (2021)

Peng, D.; Kleiweg, A.-J.; Winkelman, J. G. M.; Song, Z.; Picchioni, F.: A Hierarchical Hybrid Method for Screening Ionic Liquid Solvents for Extractions Exemplified by the Extractive Desulfurization Process. ACS Sustainable Chemistry & Engineering 9 (7), pp. 2705 - 2716 (2021)

Qin, H.; Wang, Z.; Zhou, T.; Song, Z.: Comprehensive Evaluation of COSMO-RS for Predicting Ternary and Binary Ionic Liquid-Containing Vapor–Liquid Equilibria. Industrial & Engineering Chemistry Research 60 (48), pp. 17761 - 17777 (2021)

Reichl, U.; Seidel-Morgenstern, A.; Sundmacher, K.; Tsotsas, E.; van Wachem, B.: Forschungsarbeiten am Institut für Verfahrenstechnik der Otto‐von‐Guericke‐Universität Magdeburg. Chemie Ingenieur Technik 93 (3), pp. 345 - 352 (2021)

Shetty, S. C.; Yandrapalli, N.; Pinkwart, K.; Krafft, D.; Vidaković-Koch, T.; Ivanov, I.; Robinson, T.: Directed Signaling Cascades in Monodisperse Artificial Eukaryotic Cells. ACS Nano 15 (10), pp. 15656 - 15666 (2021)

Shi, H.; Zhang, X.; Sundmacher, K.; Zhou, T.: Model-Based Optimal Design of Phase Change Ionic Liquids for Efficient Thermal Energy Storage. Green Energy & Environment 6 (3), pp. 392 - 404 (2021)

Shi, H.; Zhou, T.: Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing. Frontiers of Chemical Science and Engineering 15, pp. 49 - 59 (2021)

Song, Z.; Wang, J.; Sundmacher, K.: Evaluation of COSMO-RS for solid-liquid equilibria prediction of binary eutectic solvent systems. Green Energy & Environment 6 (3), pp. 371 - 379 (2021)

Sorrentino, A.; Sundmacher, K.; Vidaković-Koch, T.: Decoupling oxygen and water transport dynamics in polymer electrolyte membrane fuel cells through frequency response methods based on partial pressure perturbations. Electrochimica Acta 390, 138788 (2021)

Staufer, O.; De Lora, J. A.; Bailoni, E.; Bazrafshan, A.; Benk, A. S.; Jahnke, K.; Manzer, Z. A.; Otrin, L.; Díez Pérez, T.; Sharon, J. et al.; Steinkühler, J.; Adamala, K. P.; Jacobson, B.; Dogterom, M.; Göpfrich, K.; Stefanovic, D.; Atlas, S. R.; Grunze, M.; Lakin, M. R.; Shreve, A. P.; Spatz, J. P.; López, G. P.: Building a community to engineer synthetic cells and organelles from the bottom-up. eLife 10, e73556 (2021)

Stracy, M.; Schweizer, J.; Sherratt, D. J.; Kapanidis, A. N.; Uphoff, S.; Lesterlin, C.: Transient non-specific DNA binding dominates the target search of bacterial DNA-binding proteins. Molecular Cell 81 (7), pp. 1499 - 1514 (2021)

Uebbing, J.; Biegler, L. T.; Rihko-Struckmann, L.; Sager, S.; Sundmacher, K.: Optimization of Pressure Swing Adsorption via a Trust-Region Filter Algorithm and Equilibrium Theory. Computers & Chemical Engineering 151, 107340 (2021)

Wang, M.; Weber, A.; Hartig, R.; Zheng, Y.; Krafft, D.; Vidaković-Koch, T.; Zuschratter, W.; Ivanov, I.; Sundmacher, K.: Scale up of Transmembrane NADH Oxidation in Synthetic Giant Vesicles. Bioconjugate Chemistry 32 (5), pp. 897 - 903 (2021)

Wang, Z.; Song, Z.; Zhou, T.: Machine Learning for Ionic Liquid Toxicity Prediction. Processes 9 (1), 65 (2021)

Xu, J.; Peng, Z.; Rong, S.; Jin, H.; Guo, L.; Zhang, X.; Zhou, T.: Model-based thermodynamic analysis of supercritical water gasification of oil-containing wastewater. Fuel 306, 121767 (2021)

Zhang, E.; Osipova, N.; Sokolov, M.; Maksimenko, O.; Semyonkin, A.; Wang, M.; Grigartzik, L.; Gelperina, S.; Sabel, B. A.; Henrich-Noack, P.: Exploring the systemic delivery of a poorly water-soluble model drug to the retina using PLGA nanoparticles. European Journal of Pharmaceutical Sciences 164, 105905 (2021)

Zhang, X.; Ding, X.; Song, Z.; Zhou, T.; Sundmacher, K.: Integrated Ionic Liquid and Rate‐Based Absorption Process Design for Gas Separation: Global Optimization Using Hybrid Models. AIChE Journal 67 (10), 17340 (2021)

Zhang, X.; Wang, J.; Song, Z.; Zhou, T.: Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification. Industrial & Engineering Chemistry Research 60 (27), pp. 9992 - 10000 (2021)

Zhang, X.; Zhou, T.; Ng, K. M.: Optimization‐based cosmetic formulation: Integration of mechanistic model, surrogate model, and heuristics. AIChE Journal 67 (1), e17064 (2021)

Zhou, T.; Gani, R.; Sundmacher, K.: Hybrid data-driven and mechanistic modeling approaches for multiscale material and process design. Engineering 7 (9), pp. 1231 - 1238 (2021)

Zhou, T.; Shi, H.; Ding, X.; Zhou, Y.: Thermodynamic modeling and rational design of ionic liquids for pre-combustion carbon capture. Chemical Engineering Science 229, 116076 (2021)

Garmatter, D.; Maggi, A.; Wenzel, M.; Monem Abdelhafez, S.; Hahn, M.; Stoll, M.; Sager, S.; Benner, P.; Sundmacher, K.: Power-to-Chemicals: A Superstructure Problem for Sustainable Syngas Production. In: Mathematical Modeling, Simulation and Optimization for Power Engineering and Management, pp. 145 - 168 (Eds. Göttlich, S.; Herty, M.; Milde, A.) (2021)

Balasbas III, S.; Ivanov, I.; Sundmacher, K.: Metabolic Network Reconstruction from Time-Series of Concentration Data: Evaluation of the Numerical Matrices Methods. In: 31st European Symposium on Computer Aided Process Engineering, Vol. 50, pp. 1991 - 1996 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Bremer, J.; Heiland, J.; Benner, P.; Sundmacher, K.: Non-intrusive Time Galerkin POD for Optimal Control of a Fixed-Bed Reactor for CO₂ Methanation. 16th IFAC Symposium on Advanced Control of Chemical Processes - ADCHEM 2021, Venice, Italy, June 13, 2021 - June 16, 2021. IFAC-PapersOnLine 54 (3), pp. 122 - 127 (2021)

Sanchez Medina, E. I.; Linke, S.; Sundmacher, K.: Prediction of Bioconcentration Factors (BCF) using Graph Neural Networks. In: 31st European Symposium on Computer Aided Process Engineering, pp. 991 - 997 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Sanchez Medina, E. I.; Vallejo, D. R.; Chachuat, B.; Sundmacher, K.; Petsagkourakis, P.; del Rio-Chanona, E.A.: Acyclic modular flowsheet optimization using multiple trust regions and Gaussian process regression. In: 31st European Symposium on Computer Aided Process Engineering, pp. 1117 - 1123 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Song, Z.; Zhou, T.; Qi, Z.; Sundmacher, K.: Computer-Aided Screening of Deep Eutectic Solvent Systems for the Associative Extraction of α-Tocopherol from Deodorizer Distillate. In: 31st European Symposium on Computer Aided Process Engineering, pp. 341 - 346 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Zhou, T.; Shi, H.; Sundmacher, K.: Rational Design of Ionic Liquid Phase-Change Material for Efficient Thermal Energy Storage. In: 31st European Symposium on Computer Aided Process Engineering, pp. 191 - 196 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Multi-Period Design Optimization of Flexible Fixed-Bed Reactors by Stoichiometry-Based Model Reduction. In: 31st European Symposium on Computer Aided Process Engineering, pp. 947 - 952 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Abel, K. L.; Zimmermann, R. T.; Titus, J.; Sundmacher, K.; Gläser, R.: Influence of Preparation Method on Structure, Reducibility and Activity of Ni-based CO2 Methanation Catalysts. 18th International Conference on Carbon Dioxide Utilization (ICCDU 2021), Virtual (2021)

Bremer, J.; Heiland, J.; Benner, P.; Sundmacher, K.: Nonintrusive Time Galerkin POD for Optimal Control of a Fixed-Bed Reactor for CO2 Methanation. ADCHEM 2021, Virtual (2021)

Bremer, J.; Sundmacher, K.: Novel Multiplicity and Stability Criteria for Polytropic Fixed-Bed Reactors. ISCRE-26 & APCRE 9, Virtual (2021)

Bremer, J.; Zimmermann, R. T.; Sundmacher, K.: New Insights on Fixed-Bed Reactor Dynamics via Real-Time Distributed Temperature Sensing. Annual Meeting on Reaction Engineering (Jahrestreffen Reaktionstechnik), Virtual (2021)

Jokiel, M.; Sundmacher, K.: Helically Coiled Tubular Reactor for the Hydroformylation of 1-Dodecene: Operation, Characterization and Limitations. ECCE 13 & ECAB 6: 13th European Congress of Chemical Engineering and 6th European Congress of Applied Biotechnology, Berlin, Virtual (2021)

König-Mattern, L.; Linke, S.; Rihko-Struckmann, L.; Sundmacher, K.: Computational Solvent Screening for Efficient Microalgal-based Biorefineries exemplified by Phaeodactylum tricornutum. International Conference on Algal Biomass, Biofuels and Bioproducts (AlgalBBB 2021), Virtual (2021)

König-Mattern, L.; Linke, S.; Rihko-Struckmann, L.; Sundmacher, K.: Computational Solvent Screening for the Fractionation of Wet Microalgal Biomass Exemplified by Phaeodactylum tricornutum. ECCE 13 & ECAB 6: 13th European Congress of Chemical Engineering and 6th European Congress of Applied Biotechnology, Berlin, Virtual (2021)

Otrin, L.; Diehl, C.; Erb, T.; Sundmacher, K.; Vidaković-Koch, T.: Artificial Mitochondrion, Bottom-up! SYNCELL 2021: International Conference on Engineering Synthetic Cells and Organelles, Virtual (2021)

Sanchez Medina, E. I.; Rodriguez-Vallejo, D. F.; del Rio-Chanona, E. A.; Sundmacher, K.; Petsagkourakis, P.: Multi-Objective Bayesian optimization of process flowsheets using trust regions and quality set metrics. 2021 AIChE Annual Meeting, Virtual (2021)

Shi, H.; Zhou, T.; Sundmacher, K.: Computer-Aided Molecular Design of Ionic Liquid Phase Change Material (IL-PCM) for Efficient Thermal Energy Storage. 31st European Symposium on Computer-Aided Process Engineering (ESCAPE-31) , Istanbul, Turkey (2021)