Publications IMPRS

Journal Article (16)

2021
Journal Article
Abdelsamie, A.; Chi, C.; Nanjaiah, M.; Skenderović, I.; Suleiman, S.; Thévenin, D.: Direct Numerical Simulation of Turbulent Spray Combustion in the SpraySyn Burner: Impact of Injector Geometry. Flow, Turbulence and Combustion 106, pp. 453 - 469 (2021)
Journal Article
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)
Journal Article
Benner, P.; Khoromskaia, V.; Khoromskij, B.; Kweyu, C. M.; Stein, M.: Regularization of Poisson-Boltzmann Type Equations with Singular Source Terms Using the Range-Separated Tensor Format. SIAM Journal on Scientific Computing 43 (1), pp. A415 - A445 (2021)
Journal Article
Benner, P.; Trautwein, C.: A Stochastic Maximum Principle for Control Problems Constrained by the Stochastic Navier-Stokes Equations. Applied Mathematics and Optimization 84, pp. 1001 - 1054 (2021)
Journal Article
Chellappa, S.; Feng, L.; Benner, P.: A Training Set Subsampling Strategy for the Reduced Basis Method. Journal of Scientific Computing 89, 63, 34 pages (2021)
Journal Article
Chi, C.; Janiga, G.; Thévenin, D.: On-the-fly artificial neural network for chemical kinetics in direct numerical simulations of premixed combustion. Combustion and Flame 226, pp. 467 - 477 (2021)
Journal Article
Duerr, R.; Duvigneau, S.; Seidel, C.; Kienle, A.; Bück, A.: Multi-rate data fusion for state and parameter estimation in (Bio-)chemical process engineering. Processes 9 (11), 1990 (2021)
Journal Article
Duvigneau, S.; Kettner, A.; Carius, L.; Griehl, C.; Findeisen, R.; Kienle, A.: Fast, inexpensive, and reliable HPLC method to determine monomer fractions in poly(3-hydroxybutyrate-co-3-hydroxyvalerate). Applied Microbiology and Biotechnology 105, pp. 4743 - 4749 (2021)
Journal Article
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)
Journal Article
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)
Journal Article
Paliwal, S.; Panda, D.; Bhaskaran, S.; Vorhauer-Huget, N.; Tsotsas, E.; Surasani, V. K.: Lattice Boltzmann method to study the water-oxygen distributions in porous transport layer (PTL) of polymer electrolyte membrane (PEM) electrolyser. International Journal of Hydrogen Energy 46 (44), pp. 22747 - 22762 (2021)
Journal Article
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)
Journal Article
Sadeghi, M.; Cascella, F.; Tenberg, V.; Seidel-Morgenstern, A.; Lorenz, H.: Solubility analysis of pharmaceuticals guaifenesin, ketoprofen, and artemisinin in different solvents. Journal of Molecular Liquids 343, 117503 (2021)
Journal Article
Triemer, S.; Schulze, M.; Wriedt, B.; Schenkendorf, R.; Ziegenbalg, D.; Krewer, U.; Seidel-Morgenstern, A.: Kinetic analysis of the partial synthesis of artemisinin: Photooxygenation to the intermediate hydroperoxide. Journal of Flow Chemistry 11, pp. 641 - 659 (2021)
Journal Article
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)
Journal Article
Vidaković-Koch, T.; Miličić, T.; Živković, L. A.; Chan, H. S.; Krewer, U.; Petkovska, M.: Nonlinear frequency response analysis: a recent review and perspectives. Current Opinion in Electrochemistry 30, 100851 (2021)

Conference Paper (6)

2021
Conference Paper
Dürr, R.; Duvigneau, S.; Kienle, A.: Microbial Production of Polyhydroxyalkanoates – Modeling of Chain Length Distribution. In: 31st European Symposium on Computer Aided Process Engineering, pp. 1975 - 1981 (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)
Conference Paper
Kallies, C.; Ibrahim, M.; Findeisen, R.: Continuous-Time Approximated Parametric Output-Feedback Nonlinear Model Predictive Control. 7th IFAC Conference on Nonlinear Model Predictive Control - NMPC 2021 (Virtual), Bratislava, Slovakia, July 11, 2021 - July 14, 2021. IFAC-PapersOnLine 54 (6), pp. 251 - 256 (2021)
Conference Paper
Morabito, B.; Pohlodek, J.; Matschek, J.; Savchenko, A.; Carius, L.; Findeisen, R.: Towards Risk-aware Machine Learning Supported Model Predictive Control and Open-loop Optimization for Repetitive Processes. 7th IFAC Conference on Nonlinear Model Predictive Control - NMPC 2021, Bratislava, Slovakia, July 11, 2021 - July 14, 2021. IFAC-PapersOnLine 54 (6), pp. 321 - 328 (2021)
Conference Paper
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)
Conference Paper
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)
Conference Paper
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)

Meeting Abstract (4)

2021
Meeting Abstract
Bhandari, S.; Lorenz, H.; Seidel-Morgenstern, A.: A Shortcut Model to Evaluate Continuous Preferential Crystallization for Conglomerates Forming Systems. In Book of Abstract - ISIC 21 - 21st International Symposium on Industrial Crystallization, pp. 40 - 43. ISIC 21 - 21st International Symposium on Industrial Crystallization, Online Event, August 30, 2021 - September 02, 2021. (2021)
Meeting Abstract
Cascella, F.; Gänsch, J.; Seidel-Morgenstern, A.; Lorenz, H.: Preferential Crystallization of the API Guaifenesin in a fluidized bed crystallizer: Seeding strategy development. In Book of Abstract - ISIC 21 - 21st International Symposium on Industrial Crystallization, pp. 103 - 106. ISIC 21 - 21st International Symposium on Industrial Crystallization, Online Event, August 30, 2021 - September 02, 2021. (2021)
Meeting Abstract
Ponnudurai, A.; Schulze, P.; Seidel-Morgenstern, A.; Lorenz, H.: Separation strategies for valorization of lignin by targeted molecular weight fractionation. In Book of Abstract - ISIC 21 - 21st International Symposium on Industrial Crystallization, pp. 560 - 563. ISIC 21 - 21st International Symposium on Industrial Crystallization, Online Event, August 30, 2021 - September 02, 2021. (2021)
Meeting Abstract
Saikia, B.; Cascella, F.; Seidel-Morgenstern, A.; Lorenz, H.: A Contribution to the Melt Phase Diagram and Solid-State Forms of Chiral Drug Aminoglutethimide. In Book of Abstract - ISIC 21 - 21st International Symposium on Industrial Crystallization, pp. 598 - 600. ISIC 21 - 21st International Symposium on Industrial Crystallization, Online Event, August 30, 2021 - September 02, 2021. (2021)

Talk (21)

2021
Talk
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)
Talk
Altaf, H.; Vidaković-Koch, T.; Tsotsas, E.; Vorhauer-Huget, N.: Pore network modelling of oxygen invasion in porous transport layer of electrolyzers for H2 production. 13th European Congress of Chemical Engineering and 6th European Congress of Applied Biotechnology, virtual (2021)
Talk
Altaf, H.; Vorhauer, N.; Tsotsas, E.; Vidaković-Koch, T.: Pore Graded Anodic Transport Layers in PEM Electrolysers: A Pore Network Study. InterPore 2021 , Online (2021)
Talk
Altaf, H.; Vorhauer, N.; Vidaković-Koch, T.; Tsotsas, E.: Pore Network Modelling of Anodic Porous Transport Layer in Electrolysers. 17th Symposium on Modeling and Experimental Validation of Fuel Cells, Electrolysers and Batteries, Online (2021)
Talk
Bhandari, S.; Carneiro, T.; Lorenz, H.; Seidel-Morgenstern, A.: Shortcut Model for Batch Preferential Crystallization of Conglomerates Forming Chiral Systems combined with Racemization. ECCE 13 & ECAB 6 - 13th European Congress of Chemical Engineering and 6th European Congress of Applied Biotechnology, virtually (2021)
Talk
Bhandari, S.; Lorenz, H.; Seidel-Morgenstern, A.: A Shortcut Model to Evaluate Continuous Preferential Crystallization for Conglomerates Forming Systems. ISIC 21 - 21st International Symposium on Industrial Crystallization, virtually (2021)
Talk
Bhaskaran, S.; Vorhauer-Huget, N.; Surasani, V. K.; Tsotsas , E.; Vidaković-Koch, T.: Study of the Invasion Patterns in Anodic PTL of Water Electrolyser using Lattice Boltzmann Simulations. 72nd Annual Meeting of the International Society of Electrochemistry, Online (2021)
Talk
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)
Talk
Cascella, F.; Gänsch, J.; Seidel-Morgenstern, A.; Lorenz, H.: Preferential Crystallization of the API Guaifenesin in a fluidized bed crystallizer: Seeding strategy development. ISIC 21 - 21st International Symposium on Industrial Crystallization, Virtually (2021)
Talk
Hayat, A.; An, X.; Qamar, S.; Warnecke, G.; Seidel-Morgenstern, A.: Theoretical Analysis and Experimental Validation of Forced Temperature Gradients, Optimizing the Performance of Liquid Chromatographic Columns. SoCSS 2021 - 16th International PhD Seminar on Chromatographic Separation Science, Vienna, Austria (2021)
Talk
Kallies, C.; Ibrahim, M.; Findeisen, R.: Continuous-Time Approximated Parametric Output-Feedback Nonlinear Model Predictive Control. 7th IFAC Conference on Nonlinear Model Predictive Control - NMPC 2021 (Virtual), Bratislava, Slovakia (2021)
Talk
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)
Talk
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)
Talk
Martensen, C. J.; Rackauckas, C.: Neural Network Surrogates and Symbolic Regression for System Estimation. SIAM Conference on Applications of Dynamical Systems (DS21), Virtual (2021)
Talk
Miličić, T.; Altaf, H.; Zivkovic, L.; Vorhauer-Huget, N.; Tsotsas, E.; Vidaković-Koch, T.: Model-Based Analysis of Anode Mass Transport Losses in Proton Exchange Membrane Water Electrolyzer. EFCF 2021: Low-Temperature Fuel Cells, Electrolysers & H2 Processing, Lucern, Switzerland (2021)
Talk
Miličić, T.; Zivkovic, L.; Vidaković-Koch, T.: Development of Macroscopic Dynamical Model of Proton Exchange Membrane Water Electrolyzer. 72nd Annual Meeting of the International Society of Electrochemistry, Jeju, South Korea (2021)
Talk
Morabito, B.; Pohlodek, J.; Matschek, J.; Savchenko, A.; Carius, L.; Findeisen, R.: Towards Risk-aware Machine Learning Supported Model Predictive Control and Open-loop Optimization for Repetitive Processes. 7th IFAC Conference on Nonlinear Model Predictive Control - NMPC 2021, Bratislava, Slovakia (2021)
Talk
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)
Talk
Triemer, S.; Schulze, M.; Schenkendorf, R.; Krewer, U.; Seidel-Morgenstern, A.: Kinetic model for the photocatalyzed oxidation step in the partial synthesis of an antimalarial. Annual Meeting on Reaction Engineering 2021 (Jahrestreffen Reaktionstechnik) , virtual (2021)
Talk
Triemer, S.; Seidel-Morgenstern, A.: Integration of a Green and Efficient Synthesis Step Enables Enhanced Production of the Antimalarial Precursor Artemisinin from Plant-Based Extraction. 2021 AIChE Annual Meeting In-Person Boston, USA (Nov 7-11) and Virtual (Nov 15-19), Virtually (2021)
Talk
Wünsche, S.; Triemer, S.; Vu, T. G.; Seidel-Morgenstern, A.; Lorenz, H.: Chromatographic Purification of Artemisinin from the Crude Plant Extract. SoCSS 2021 – 16th International PhD Seminar on Chromatographic Separation Science, Vienna, Austria (2021)

Poster (13)

2021
Poster
Alcalá Orozco, E. A.; Fiebig, T.; Mahour, R.; Grote, V.; Hoang Son, T.; Rexer, T.; Reichl, U.: A cell-free multi-enzyme cascade for the synthesis of CDP-glycerol. MECP 2021, Aachen, Germany (2021)
Poster
Alcalá Orozco, E. A.; Fiebig, T.; Mahour, R.; Grote, V.; Hoang Son, T.; Rexer, T.; Reichl, U.: Cell-free multi-enzyme cascade for the synthesis of CDP-glycerol. 10th International Congress on Biocatalysis, Hamburg, Germany (2021)
Poster
Bhaskaran, S.; Paliwal, S.; Altaf, H.; Vorhauer-Huget, N.; Surasani, V. K.; Tsotsas, E.; Vidaković-Koch, T.: Lattice Boltzmann simulations of invasion in porous transportlayer (PTL) at anode side of polymer electrolyte membrane (PEM)water electrolyser. InterPore 2021, 13th Annual Meeting, Virtual (2021)
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