Publications PSE group

2.

Journal Article

Fachet, M.; Witte, C.; Flassig, R.; Rihko-Struckmann, L.; McKie-Krisberg, Z.; Polle, J.; Sundmacher, K.: Reconstruction and analysis of a carbon-core metabolic network for Dunaliella salina. BMC Bioinformatics 21, 1 (2020)

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3.

Journal Article

Himmel, A.; Sager, S.; Sundmacher, K.: Time-minimal set point transition for nonlinear SISO systems under different constraints. Automatica 114, 108806 (2020)

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4.

Journal Article

Song, Z.; Zhou, T.; Qi, Z.; Sundmacher, K.: Extending the UNIFAC model for ionic liquid‐solute systems by combining experimental and computational databases. AIChE-Journal 66 (2), e16821 (2020)

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5.

Journal Article

Varničić, M.; Zasheva, I. N.; Haak, E.; Sundmacher, K.; Vidaković-Koch, T.: Selectivity and Sustainability of Electroenzymatic Process for Glucose Conversion to Gluconic Acid. Catalysts 10 (3), 269 (2020)

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6.

Journal Article

Wang, J.; Song, Z.; Li, X.; Cheng, H.; Chen, L.; Qi, Z.: Toward Rational Functionalization of Ionic Liquids for Enhanced Extractive Desulfurization: Computer-Aided Solvent Design and Molecular Dynamics Simulation. Industrial & Engineering Chemistry Research 59, pp. 2093 - 2103 (2020)

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7.

Journal Article

Zeng, Q.; Song, Z.; Qin, H.; Cheng, H.; Chen, L.; Pan, M.; Heng, Y.; Qi, Z.: Ionic liquid [BMIm][HSO₄] as dual catalyst-solvent for the esterification of hexanoic acid with n-butanol. Catalysis Today 339, pp. 113 - 119 (2020)

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8.

Journal Article

Zhang, C.; Song, Z.; Jin, C.; Nijhuis, J.; Zhou, T.; Noël, T.; Gröger, H.; Sundmacher, K.; van Hest, J.; Hessel, V.: Screening of functional solvent system for automatic aldehyde and ketone separation in aldol reaction: A combined COSMO-RS and experimental approach. Chemical Engineering Journal 385, 123399 (2020)

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9.

Journal Article

Zhang, X.; Song, Z.; Gani, R.; Zhou, T.: Comparative Economic Analysis of Physical, Chemical, and Hybrid Absorption Processes for Carbon Capture. Industrial & Engineering Chemistry Research 59, pp. 2005 - 2012 (2020)

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10.

Journal Article

Zhou, T.; McBride, K.; Linke, S.; Song, Z.; Sundmacher, K.: Computer-aided solvent selection and design for efficient chemical processes. Current Opinion in Chemical Engineering 27, pp. 35 - 44 (2020)

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11.

Journal Article

Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Optimal catalyst particle design for flexible fixed-bed CO₂methanation reactors. Chemical Engineering Journal 387, 123704 (2020)

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12.

Journal Article

Bartsch, C.; Wiedmeyer, V.; Lakdawala, Z.; Patterson, R. I.A.; Voigt, A.; Sundmacher, K.; John, V.: Stochastic-Deterministic Population Balance Modeling and Simulation of a Fluidized Bed Crystallizer Experiment. Chemical Engineering Science 208, 115102 (2019)

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13.

Journal Article

Bechtel, S.; Vidaković-Koch, T.; Sundmacher, K.: Energy-Efficient Gas-Phase Electrolysis of Hydrogen Chloride. Chemie-Ingenieur-Technik 91 (6), pp. 795 - 808 (2019)

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14.

Journal Article

Bechtel, S.; Sorrentino, A.; Vidaković-Koch, T.; Weber, A. Z.; Sundmacher, K.: Electrochemical gas phase oxidation of hydrogen chloride to chlorine: Model-based analysis of transport and reaction mechanisms. Electrochimica Acta 324, 134780 (2019)

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15.

Journal Article

Bremer, J.; Sundmacher, K.: Operation range extension via hot-spot control for catalytic CO₂ methanation reactors. Reaction Chemistry & Engineering 6 (4), pp. 1019 - 1037 (2019)

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16.

Journal Article

Ivanov, I.; Lira, R. d.; Tang, T.-Y. D.; Franzmann, T.; Klosin, A.; Caire da Silva, L.; Hyman, A.; Landfester, K.; Lipowsky, R.; Sundmacher, K. et al.; Dimova, R.: Directed Growth of Biomimetic Microcompartments. Advanced Biosystems 3 (6), 1800314 (2019)

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17.

Journal Article

Jokiel, M.; Kaiser, N. M.; Kováts, P.; Mansour, M.; Zähringer, K.; Nigam, K. D. P.; Sundmacher, K.: Helically coiled segmented flow tubular reactor for the hydroformylation of long-chain olefins in a thermomorphic multiphase system. Chemical Engineering Journal (ISCRE 25 Special Issue) 377, 120060 (2019)

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18.

Journal Article

Jokiel, M.; Rätze, K.; Kaiser, N. M.; Künnemann, K.; Hollenbeck, J.-P.; Dreimann, J. M.; Vogt, D.; Sundmacher, K.: Miniplant-Scale Evaluation of a Semibatch-Continuous Tandem Reactor System for the Hydroformylation of Long-Chain Olefins. Industrial and Engineering Chemistry Research 58 (7), pp. 2471 - 2480 (2019)

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19.

Journal Article

Keßler, T.; Kunde, C.; McBride, K.; Mertens, N.; Michaels, D.; Sundmacher, K.; Kienle, A.: Global optimization of distillation columns using explicit and implicit surrogate models. Chemical Engineering Science 197, pp. 235 - 245 (2019)

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20.

Journal Article

Keßler, T.; Kunde, C.; Linke, S.; McBride, K.; Sundmacher, K.; Kienle, A.: Systematic Selection of Green Solvents and Process Optimization for the Hydroformylation of Long-Chain Olefines. Processes 7 (12), 882 (2019)

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21.

Journal Article

Krafft, D.; Lopez-Castellanos, S.; Dimova, R.; Ivanov, I.; Sundmacher, K.: Compartments for Synthetic Cells: Osmotically Assisted Separation of Oil from Double Emulsions in Microfluidic Chip. ChemBioChem: A European Journal of Chemical Biology 20 (20), pp. 2604 - 2608 (2019)

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22.

Journal Article

Kunde, C.; Keßler, T.; Linke, S.; McBride, K.; Sundmacher, K.; Kienle, A.: Surrogate Modeling for Liquid–Liquid Equilibria Using a Parameterization of the Binodal Curve. Processes (7), 753 (2019)

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23.

Journal Article

Liesche, G.; Sundmacher, K.: Productivity versus product quality: Exploring the limits of autothermal microchannel reactors in methane steam reforming. Chemical Engineering Journal (ISCRE 25 Special Issue) 377, 120048 (2019)

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24.

Journal Article

Liesche, G.; Schack, D.; Sundmacher, K.: The FluxMax Approach for Simultaneous Process Synthesis and Heat Integration: Production of Hydrogen Cyanide. AIChE-Journal 65 (7), e16554 (2019)

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25.

Journal Article

Liesche, G.; Sundmacher, K.: Radiation-based model reduction for the optimization of high temperature tube bundle reactors: Synthesis of hydrogen cyanide. Computers and Chemical Engineering 127, pp. 186 - 199 (2019)

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26.

Journal Article

Ma, B. C.; Caire da Silva, L.; Jo, S.-M.; Wurm, F.; Bannwarth, M.; Zhang, K. A. I.; Sundmacher, K.; Landfester, K.: Polymer‐based module for NAD+ regeneration with visible light. ChemBioChem: A European Journal of Chemical Biology 20 (20), pp. 2529 - 2682 (2019)

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27.

Journal Article

McBride, K.; Sundmacher, K.: Overview of Surrogate Modeling in Chemical Process Engineering. Chemie-Ingenieur-Technik 91 (3), pp. 228 - 239 (2019)

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28.

Journal Article

Otrin, L.; Kleineberg, C.; Caire da Silva, L.; Landfester, K.; Ivanov, I.; Wang, M.; Bednarz, C.; Sundmacher, K.; Vidaković-Koch, T.: Artificial Organelles for Energy Regeneration. Advanced Biosystems 3 (6), 1800323 (2019)

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29.

Journal Article

Papakonstantinou, G.; Sundmacher, K.: H₂ permeation through N117 and its consumption by IrOx in PEM water electrolyzers. Electrochemistry Communications 108, 106578 (2019)

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30.

Journal Article

Rätze, K.; Jokiel, M.; Kaiser , N. M.; Sundmacher, K.: Cyclic Operation of a Semi-Batch Reactor for the Hydroformylation of Long-Chain Olefins and Integration in a Continuous Production Process. Chemical Engineering Journal (ISCRE 25 Special Issue) 377, 120453 (2019)

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31.

Journal Article

Schack, D.; Liesche, G.; Sundmacher, K.: Simultaneous Heat and Mass Flow Optimization of a Distillation Column Applying the FluxMax Approach. Chemical Engineering Transactions 76, pp. 337 - 342 (2019)

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32.

Journal Article

Song, Z.; Zhou, Y.; Zhou, T.; Qi, Z.; Sundmacher, K.: Rational design of double salt ionic liquids as extraction solvents: Separation of thiophene/n‐octane as example. AIChE-Journal 65 (8), e16625 (2019)

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33.

Journal Article

Sorrentino, A.; Vidaković-Koch, T.; Sundmacher, K.: Studying mass transport dynamics in polymer electrolyte membrane fuel cells using concentration-alternating frequency response analysis. Journal of Power Sources 412, pp. 331 - 335 (2019)

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34.

Journal Article

Sorrentino, A.; Sundmacher, K.; Vidaković-Koch, T.: A Guide to Concentration Alternating Frequency Response Analysis of Fuel Cells. Journal of Visualized Experiments - Environment 154, e60129 (2019)

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35.

Journal Article

Uebbing, J.; Rihko-Struckmann, L.; Sundmacher, K.: Exergetic assessment of CO₂ methanation processes for the chemical storage of renewable energies. Applied Energy 233–234, pp. 271 - 282 (2019)

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36.

Journal Article

Wang, J.; Cheng, H.; Song, Z.; Chen, L.; Deng, L.; Qi, Z.: Carbon Dioxide Solubility in Phosphonium-Based Deep Eutectic Solvents: An Experimental and Molecular Dynamics Study. Industrial and Engineering Chemistry Research 58 (37), pp. 17514 - 17523 (2019)

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37.

Journal Article

Wenzel, M.; Sundmacher, K.: Derivation of rate equations for equilibrium limited gas-solid reactions. Chemical Engineering Science 203, pp. 76 - 85 (2019)

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38.

Journal Article

Wölfer, C.; Mangold, M.; Flassig, R.: Towards Design of Self‐Organizing Biomimetic Systems. Advanced Biosystems 3 (6), 1800320 (2019)

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39.

Journal Article

Zhou, T.; Song, Z.; Zheng, X.; Gani, R.; Sundmacher, K.: Optimal Solvent Design for Extractive Distillation Processes: A Multiobjective Optimization-Based Hierarchical Framework. Industrial and Engineering Chemistry Research 58 (15), pp. 5777 - 5786 (2019)

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40.

Journal Article

Zhou, T.; Song, Z.; Sundmacher, K.: Big Data Creates New Opportunities for Materials Research: A Review on Methods and Applications of Machine Learning for Materials Design. Engineering 5 (6), pp. 1017 - 1026 (2019)

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41.

Journal Article

Zinser, A.; Papakonstantinou, G.; Sundmacher, K.: Analysis of mass transport processes in the anodic porous transport layer in PEM water electrolysers. International Journal of Hydrogen Energy 44 (52), pp. 28077 - 28087 (2019)

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42.

Journal Article

Aydin, E.; Bonvin, D.; Sundmacher, K.: NMPC using Pontryagin’s Minimum Principle-Application to a two-phase semi-batch hydroformylation reactor under uncertainty. Computers and Chemical Engineering 108, pp. 47 - 56 (2018)

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43.

Journal Article

Aydin, E.; Bonvin, D.; Sundmacher, K.: Computationally efficient NMPC for batch and semi-batch processes using parsimonious input parameterization. Journal of Process Control 66, pp. 12 - 22 (2018)

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44.

Journal Article

Aydin, E.; Bonvin, D.; Sundmacher, K.: Toward Fast Dynamic Optimization: An Indirect Algorithm That Uses Parsimonious Input Parameterization. Industrial & Engineering Chemistry Research 57, pp. 10038 - 10048 (2018)

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45.

Journal Article

Bechtel, S.; Vidaković-Koch, T.; Sundmacher, K.: Novel process for the exergetically efficient recycling of chlorine by gas phase electrolysis of hydrogen chloride. Chemical Engineering Journal 346, pp. 535 - 548 (2018)

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46.

Journal Article

Beneyton, T.; Krafft, D.; Bednarz, C.; Kleineberg, C.; Wölfer, C.; Ivanov, I.; Vidaković-Koch, T.; Sundmacher, K.; Baret, J.-C.: Out-of-equilibrium microcompartments for the bottom-up integration of metabolic functions. Nature Communications 9, 2391 (2018)

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47.

Journal Article

Buchbinder, J. H.; Pischel, D.; Sundmacher, K.; Flassig, R.; Lavrik, I. N.: Quantitative single cell analysis uncovers the life/death decision in CD95 network. PLOS Computational Biology 14 (9), e1006368 (2018)

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48.

Journal Article

Bystron, T.; Vesely, M.; Paidar, M.; Papakonstantinou, G.; Sundmacher, K.; Bensmann, B.; Hanke-Rauschenbach, R.; Bouzek, K.: Enhancing PEM water electrolysis efficiency by reducing the extent of Ti gas diffusion layer passivation. Journal of Applied Electrochemistry 48 (6), pp. 713 - 723 (2018)

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49.

Journal Article

Immerz, C.; Paidar, M.; Papakonstantinou, G.; Bensmann, B.; Bystron, T.; Vidaković-Koch, T.; Bouzek, K.; Sundmacher, K.; Hanke-Rauschenbach, R.: Effect of the MEA design on the performance of PEMWE single cells with different sizes. Journal of Applied Electrochemistry 48 (6), pp. 701 - 711 (2018)

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50.

Journal Article

Kaiser, N. M.; Flassig, R.; Sundmacher, K.: Reactor-Network Synthesis via Flux Profile Analysis. Chemical Engineering Journal 335, pp. 1018 - 1030 (2018)

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