IMPRS Publications | Max Planck Institute for Dynamics of Complex Technical Systems

Max Planck Institute for Dynamics of Complex Technical Systems

Journal Article (340)

2020

Journal Article

Duvigneau, S.; Dürr, R.; Laske, T.; Bachmann, M.; Dostert, M.; Kienle, A.: Model-based approach for predicting the impact of genetic modifications on product yield in biopharmaceutical manufacturing—Application to influenza vaccine production. PLoS Computational Biology 16 (6), e1007810 (2020)

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Engel, S.; Liesche, G.; Sundmacher, K.; Janiga, G.; Thévenin, D.: Optimal Tube Bundle Arrangements in Side-Fired Methane Steam Reforming Furnaces. Frontiers in Energy Research 8, 583346 (2020)

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Hertweck, D.; Emenike, V. N.; Spiess, A. C.; Schenkendorf, R.: Rigorous Model-Based Design and Experimental Verification of Enzyme-Catalyzed Carboligation under Enzyme Inactivation. Catalysts 10 (1), 96 (2020)

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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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Hosseini, S. A.; Darabiha, N.; Thévenin, D.: Compressibility in lattice Boltzmann on standard stencils: effects of deviation from reference temperature. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378, 20190399 (2020)

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Hosseini, S. A.; Eshghinejadfard, A.; Darabiha, N.; Thévenin, D.: Weakly Compressible Lattice Boltzmann Simulations of reacting flows with detailed thermo-chemical models. Computers & Mathematics with Applications 79 (1), pp. 141 - 158 (2020)

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Jabarivelisdeh, B.; Carius, L.; Findeisen, R.; Waldherr, S.: Adaptive predictive control of bioprocesses with constraint-based modeling and estimation. Computers & Chemical Engineering 135, 106744 (2020)

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Kweyu, C. M.; Feng, L.; Stein, M.; Benner, P.: Fast Solution of the Linearized Poisson-Boltzmann Equation with nonaffine Parametrized Boundary Conditions Using the Reduced Basis Method. Computing and Visualization in Science 23 (1-4), 15, 19 pages (2020)

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Laue, V.; Schmidt, O.; Dreger, H.; Xie, X.; Röder, F.; Schenkendorf, R.; Kwade, A.; Krewer, U.: Model‐Based Uncertainty Quantification for the Product Properties of Lithium‐Ion Batteries. Energy Technology 8, 1900201 (2020)

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Lilienthal, P.; Tetschke, M.; Schalk, E.; Fischer, T.; Sager, S.: Optimized and Personalized Phlebotomy Schedules for Patients Suffering From Polycythemia Vera. Frontiers in Physiology 11, 328 (2020)

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Linke, S.; McBride, K.; Sundmacher, K.: Systematic Green Solvent Selection for the Hydroformylation of Long-Chain Alkenes. ACS Sustainable Chemistry & Engineering 8 (29), pp. 10795 - 10811 (2020)

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McBride, K.; Sanchez Medina, E. I.; Sundmacher, K.: Hybrid Semi‐parametric Modeling in Separation Processes: A Review. Chemie Ingenieur Technik 92 (7), pp. 842-855 - 855 (2020)

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Panda, D.; Bhaskaran, S.; Paliwal, S.; Kharaghani, A.; Tsotsas, E.; Surasani, V. K.: Pore-scale physics of drying porous media revealed by Lattice Boltzmann simulations. Drying Technology (2020)

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Rodrigues Correia Ramos, J.; Rath, A.; Genzel, Y.; Sandig, V.; Reichl, U.: A dynamic model linking cell growth to intracellular metabolism and extracellular by‐product accumulation. Biotechnology and Bioengineering 117 (5), pp. 1533 - 1553 (2020)

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Song, Z.; Hu, X.; Wu, H.; Mei, M.; Linke, S.; Zhou, T.; Qi, Z.; Sundmacher, K.: Systematic Screening of Deep Eutectic Solvents as Sustainable Separation Media Exemplified by the CO₂ Capture Process. ACS Sustainable Chemistry & Engineering 8 (23), pp. 8741 - 8751 (2020)

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Tortora, C.; Mai, C.; Cascella, F.; Mauksch, M.; Seidel-Morgenstern, A.; Lorenz, H.; Tsogoeva, S. B.: Speeding up Viedma Deracemization through Water catalyzed and Reactant Self‐catalyzed Racemization. ChemPhysChem 21 (16), pp. 1775 - 1787 (2020)

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Uebbing, J.; Rihko-Struckmann, L.; Sager, S.; Sundmacher, K.: CO2 methanation process synthesis by superstructure optimization. Journal of CO2 Utilization 40, 101228 (2020)

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Vorhauer-Huget, N.; Altaf, H.; Dürr, R.; Tsotsas, E.; Vidaković-Koch, T.: Computational Optimization of Porous Structures for Electrochemical Processes. Processes 8 (10), 1205 (2020)

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Weber, S.; Abel, K. L.; Zimmermann, R. T.; Huang, X.; Bremer, J.; Rihko-Struckmann, L.; Batey, D.; Cipiccia, S.; Titus, J.; Poppitz, D. et al.; Kübel, C.; Sundmacher, K.; Gläser, R.; Sheppard, T. L.: Porosity and Structure of Hierarchically Porous Ni/Al2O3 Catalysts for CO2 Methanation. Catalysts 10 (12), 1471 (2020)

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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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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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2019

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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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Benner, P.; Trautwein, C.: Optimal Control Problems Constrained by the Stochastic Navier-Stokes Equations with Multiplicative Lévy Noise. Mathematische Nachrichten 292 (7), pp. 1444 - 1461 (2019)

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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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Carneiro, T.; Bhandari, S.; Temmel, E.; Lorenz, H.; Seidel-Morgenstern, A.: Shortcut Model for Describing Isothermal Batch Preferential Crystallization of Conglomerates and Estimating the Productivity. Crystal Growth & Design 19, pp. 5189 - 5203 (2019)

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Chi, C.; Janiga, G.; Zähringer, K.; Thévenin, D.: DNS study of the optimal heat release rate marker in premixed methane flames. Proceedings of the Combustion Institute 37, pp. 2363 - 2371 (2019)

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Emenike, V. N.; Xie, X.; Schenkendorf, R.; Spiess, A. C.; Krewer, U.: Robust dynamic optimization of enzyme-catalyzed carboligation: A point estimate-based back-off approach. Computers & Chemical Engineering 121, pp. 232 - 247 (2019)

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Eshghinejadfard, A.; Hosseini, S. A.; Thévenin, D.: Effect of particle density in turbulent channel flows with resolved oblate spheroids. Computers & Fluids 184, pp. 29 - 39 (2019)

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Fechtner, M.; Kienle, A.: Equilibrium theory of ion exchange chromatography with variable solution normality and steric hindrance. Chemical Engineering Science 199, pp. 508 - 527 (2019)

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Hayat, A.; An, X.; Qamar, S.; Warnecke, G.; Seidel-Morgenstern, A.: Theoretical Analysis of Forced Segmented Temperature Gradients in Liquid Chromatography. Processes 7 (11), 846 (2019)

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Horosanskaia, E.; Triemer, S.; Seidel-Morgenstern, A.; Lorenz, H.: Purification of Artemisinin from the Product Solution of a Semisynthetic Reaction within a Single Crystallization Step. Organic Process Research & Development 23 (9), pp. 2074 - 2079 (2019)

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Hosseini, S. A.; Coreixas, C.; Darabiha, N.; Thévenin, D.: Stability of the lattice kinetic scheme and choice of the free relaxation parameter. Physical Review E 99, 063305 (2019)

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Hosseini, S. A.; Coreixas, C.; Darabiha, N.; Thévenin, D.: Extensive analysis of the lattice Boltzmann method on shifted stencils. Physical Review E 100 (6), 063301 (2019)

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Hosseini, S. A.; Darabiha, N.; Thévenin, D.: Lattice Boltzmann advection-diffusion model for conjugate heat transfer in heterogeneous media. International Journal of Heat and Mass Transfer 132, pp. 906 - 919 (2019)

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Hosseini, S. A.; Darabiha, N.; Thévenin, D.: Theoretical and numerical analysis of the lattice kinetic scheme for complex-flow simulations. Physical Review E 99 (2), 023305 (2019)

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Hosseini, S. A.; Safari, H.; Darabiha, N.; Thévenin, D.; Krafczyk, M.: Hybrid Lattice Boltzmann-finite difference model for low mach number combustion simulation. Combustion and Flame 209, pp. 394 - 404 (2019)

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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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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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Koch, S.; Kohrs, F.; Lahmann, P.; Bissinger, T.; Wendschuh, S.; Benndorf, D.; Reichl, U.; Klamt, S.: RedCom: A strategy for reduced metabolic modeling of complex microbial communities and its application for analyzing experimental datasets from anaerobic digestion. PLoS Computational Biology 15 (2), e1006759 (2019)

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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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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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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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Lindhorst, H.; Lucia, S.; Findeisen, R.; Waldherr, S.: Modeling Enzyme Controlled Metabolic Networks in Rapidly Changing Environments by Robust Optimization. IEEE Control Systems Letters 3 (2), pp. 248 - 253 (2019)

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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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Reeh, H.; Rudolph, N.; Billing, U.; Christen, H.; Streif, S.; Bullinger, E.; Schliemann-Bullinger, M.; Findeisen, R.; Schaper, F.; Huber, H. J. et al.; Dittrich, A.: Response to IL-6 trans- and IL-6 classic signalling is determined by the ratio of the IL-6 receptor α to gp130 expression: fusing experimental insights and dynamic modelling. Cell Communication and Signaling 17, 46 (2019)

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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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Temmel, E.; Eicke, M.; Cascella, F.; Seidel-Morgenstern, A.; Lorenz, H.: Resolution of Racemic Guaifenesin Applying a Coupled Preferential Crystallization-Selective Dissolution Process: Rational Process Development. Crystal Growth & Design 19, pp. 3148 - 3157 (2019)

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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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Vorhauer, N.; Altaf, H.; Tsotsas, E.; Vidaković-Koch, T.: Pore Network Simulation of Gas-Liquid Distribution in Porous Transport Layers. Processes 7 (9), 558 (2019)

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Weinrich, S.; Koch, S.; Bonk, F.; Popp, D.; Benndorf, D.; Klamt, S.; Centler, F.: Augmenting Biogas Process Modeling by Resolving Intracellular Metabolic Activity. Frontiers in Microbiology 10, 1095 (2019)

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