IMPRS Publications

Journal Article

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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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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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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2019

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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Journal Article

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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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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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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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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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Journal Article

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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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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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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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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Journal Article

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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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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Journal Article

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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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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Journal Article

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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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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Journal Article

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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Journal Article

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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Journal Article

Xie, X.; Schenkendorf, R.: Robust Process Design in Pharmaceutical Manufacturing under Batch-to-Batch Variation. Processes 7 (8), 509 (2019)

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Journal Article

Xie, X.; Schenkendorf, R.: Robust optimization of a pharmaceutical freeze-drying process under non-Gaussian parameter uncertainties. Chemical Engineering Science 207, pp. 805 - 819 (2019)

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Journal Article

Xie, X.; Schenkendorf, R.: Stochastic back-off-based robust process design for continuous crystallization of ibuprofen. Computers & Chemical Engineering 124, pp. 80 - 92 (2019)

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Journal Article

Xie, X.; Schenkendorf, R.; Krewer, U.: The Effect of Correlated Kinetic Parameters on (Bio)Chemical Reaction Networks. Chemie Ingenieur Technik 91 (5), pp. 632 - 636 (2019)

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Journal Article

Xie, X.; Schenkendorf, R.; Krewer, U.: Efficient sensitivity analysis and interpretation of parameter correlations in chemical engineering. Reliability Engineering & System Safety 187, pp. 159 - 173 (2019)

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2018

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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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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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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Journal Article

Benner, P.; Goyal, P. K.; Gugercin, S.: H₂-Quasi-Optimal Model Order Reduction for Quadratic-Bilinear Control Systems. SIAM Journal on Matrix Analysis and Applications 39 (2), pp. 983 - 1032 (2018)

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Journal Article

Benner, P.; Trautwein, C.: A Linear Quadratic Control Problem for the Stochastic Heat Equation Driven by Q-Wiener Processes. Journal of Mathematical Analysis and Applications 457 (1), pp. 776 - 802 (2018)

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Journal Article

Cheema, I. I.; Krewer, U.: Operating envelope of Haber–Bosch process design for power-to-ammonia. RSC Advances 2018 (8), pp. 34926 - 34936 (2018)

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supplementary-material

Journal Article

Chi, C.; Abdelsamie, A.; Thévenin, D.: Direct Numerical Simulations of Hotspot-induced Ignition in Homogeneous Hydrogen-air Pre-mixtures and Ignition Spot Tracking. Flow, Turbulence and Combustion 101 (1), pp. 103 - 121 (2018)

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Journal Article

Emenike, V. N.; Schenkendorf, R.; Krewer, U.: A systematic reactor design approach for the synthesis of active pharmaceutical ingredients. European Journal of Pharmaceutics and Biopharmaceutics 126, pp. 75 - 88 (2018)

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Journal Article

Emenike, V. N.; Schenkendorf, R.; Krewer, U.: Model-based optimization of biopharmaceutical manufacturing in Pichia pastoris based on dynamic flux balance analysis. Computers & Chemical Engineering 118, pp. 1 - 13 (2018)

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Journal Article

Fechtner, M.; Kienle, A.: Efficient simulation and equilibrium theory for adsorption processes with implicit adsorption isotherms – Ideal adsorbed solution theory. Chemical Engineering Science 177, pp. 284 - 292 (2018)

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Journal Article

Haeseler, F. v.; Rudolph, N.; Findeisen, R.; Huber, H. J.: Parameter Estimation for Signal Transduction Networks from Experimental Time Series Using Picard Iteration. IFAC-PapersOnLine 51, pp. 191 - 196 (2018)

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Journal Article

Harder, B.-J.; Bettenbrock, K.; Klamt, S.: Temperature-dependent dynamic control of the TCA cycle increases volumetric productivity of itaconic acid production by Escherichia coli. Biotechnology and Bioengineering 115 (1), pp. 156 - 164 (2018)

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