Publications IMPRS

Journal Article (277)

2020
Journal Article
Altaf, H.; Vorhauer, N.; Tsotsas, E.; Vidaković-Koch, T.: Steady-State Water Drainage by Oxygen in Anodic Porous Transport Layer of Electrolyzers: A 2D Pore Network Study. Processes 8, 362 (2020)
Journal Article
Bechtel, S.; Bayer, B.; Vidaković-Koch, T.; Wiser, A.; Vogel, H.; Sundmacher, K.: Precise determination of LJ parameters and Eucken correction factors for a more accurate modeling of transport properties in gases. Heat and Mass Transfer 56 (8), pp. 2515 - 2527 (2020)
Journal Article
Bechtel, S.; Vidaković-Koch, T.; Weber, A. Z.; Sundmacher, K.: Model-Based Analysis of the Limiting Mechanisms in the Gas-Phase Oxidation of HCl Employing an Oxygen Depolarized Cathode. Journal of the Electrochemical Society 167, 013537 (2020)
Journal Article
Benner, P.; Feng, L.; Kweyu, C. M.; Stein, M.: Fast Solution of the Poisson-Boltzmann Equation with nonaffine Parametrized Boundary Conditions Using the Reduced Basis Method. Computing and Visualization in Science (accepted)
Journal Article
Benner, P.; Trautwein, C.: Optimal Distributed and Tangential Boundary Control for the Unsteady Stochastic Stokes Equations. ESAIM: Control, Optimisation and Calculus of Variations 62, 62, 30 pages (2020)
Journal Article
Cascella, F.; Seidel-Morgenstern, A.; Lorenz, H.: Exploiting Ternary Solubility Phase Diagrams for Resolution of Enantiomers: An Instructive Example. Chemical Engineering and Technology 43 (2), pp. 329 - 336 (2020)
Journal Article
Cascella, F.; Temmel, E.; Seidel-Morgenstern, A.; Lorenz, H.: Efficient resolution of racemic guaifenesin via batch preferential crystallization processes. Organic Process Research & Development 24 (1), pp. 50 - 58 (2020)
Journal Article
Creutznacher, R.; Schulze, E.; Wallmann, G.; Peters, T.; Stein, M.; Mallagaray, A.: Chemical-Shift Perturbations Reflect Bile Acid Binding to Norovirus Coat Protein - Recognition Comes in Different Flavors. ChemBioChem: A European Journal of Chemical Biology 21 (7), pp. 1007 - 1021 (2020)
Journal Article
Himmel, A.; Sager, S.; Sundmacher, K.: Time-minimal set point transition for nonlinear SISO systems under different constraints. Automatica 114, 108806 (2020)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
Uebbing, J.; Rihko-Struckmann, L.; Sager, S.; Sundmacher, K.: CO2 methanation process synthesis by superstructure optimization. Journal of CO2 Utilization 40, 101228 (2020)
Journal Article
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)
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)
Journal Article
Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Optimal catalyst particle design for flexible fixed-bed CO2 methanation reactors. Chemical Engineering Journal 387, 123704 (2020)
2019
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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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