Publications PSE group
Journal Article (478)
2022
Journal Article
Monolithic Al2O3 Xerogels with Hierarchical Meso‐/Macropore System as Catalyst Supports for Methanation of CO2. ChemCatChem 14 (15), e202200288 (2022)
Journal Article
Computer-aided molecular design of solvents for chemical separation processes. Current Opinion in Chemical Engineering 35, 100732 (2022)
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Rational Screening of Deep Eutectic Solvents for the Direct Extraction of α-Tocopherol from Deodorized Distillates. ACS Sustainable Chemistry & Engineering 10 (25), pp. 8216 - 8227 (2022)
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Sustainability of green solvents – review and perspective. Green Chemistry 24, pp. 410 - 437 (2022)
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Closed-loop real-time optimization for unsteady operating production systems. Journal of Process Control 113, pp. 80 - 95 (2022)
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Integrated computer-aided molecular and process design: Green solvents for the hydroformylation of long-chain olefines. Chemical Engineering Science 249, 117243 (2022)
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Increased efficiency of charge-mediated fusion in polymer/lipid hybrid membranes. Proceedings of the National Academy of Sciences 119 (20), e2122468119 (2022)
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Fusion‐Induced Growth of Biomimetic Polymersomes: Behavior of Poly(dimethylsiloxane)‐Poly(ethylene oxide) Vesicles in Saline Solutions Under High Agitation. Macromolecular Rapid Communications 43 (5), e2100712 (2022)
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Electrochemical evaluation of the de-/re-activation of oxygen evolving Ir oxide. Physical Chemistry Chemical Physics 24 , pp. 14579 - 14591 (2022)
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Hierarchical Ionic Liquid Screening Integrating COSMO-RS and Aspen Plus for Selective Recovery of Hydrofluorocarbons and Hydrofluoroolefins from a Refrigerant Blend. Industrial & Engineering Chemistry Research 61 (11), pp. 4083 - 4094 (2022)
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Comparative screening of organic solvents, ionic liquids, and their binary mixtures for vitamin E extraction from deodorizer distillate. Chemical Engineering and Processing - Process Intensification 171, 108711 (2022)
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High-Throughput Computational Screening of Ionic Liquids for Butadiene and Butene Separation. Processes 10 (1), 165 (2022)
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Graph neural networks for the prediction of infinite dilution activity coefficients. Digital Discovery 1 (3), pp. 216 - 225 (2022)
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Interpretable machine learning for accelerating the discovery of metal-organic frameworks for ethane/ethylene separation. Chemical Engineering Journal 444, 136651 (2022)
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Identification of Optimal Metal-Organic Frameworks by Machine Learning: Structure Decomposition, Feature Integration, and Predictive Modeling. Computers & Chemical Engineering 160, 107739 (2022)
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Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem 14 (8), e202101878 (2022)
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A systematic modeling methodology of deep neural network‐based structure‐property relationship for rapid and reliable prediction on flashpoints. AIChE Journal 68 (1), 17402 (2022)
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Optimal design of non-isothermal supercritical water gasification reactor: From biomass to hydrogen. Energy 244, 123163 (2022)
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Energy-efficient recovery of tetrahydrofuran and ethyl acetate by triple-column extractive distillation: entrainer design and process optimization. Frontiers of Chemical Science and Engineering 16, pp. 303 - 315 (2022)
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A neural recommender system for efficient adsorbent screening. Chemical Engineering Science 259, 117801 (2022)
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Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization. AIChE Journal 68 (2), e17524 (2022)
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Integrated metal‐organic framework (MOF) and pressure/vacuum swing adsorption process design:MOFmatching. AIChE Journal 68 (9), e17788 (2022)
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Computational Screening of Metal-Organic Frameworks for Ethylene Purification from Ethane/Ethylene/Acetylene Mixture. Nanomaterials 12 (5), 869 (2022)
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Load-flexible fixed-bed reactors by multi-period design optimization. Chemical Engineering Journal 428, 130771 (2022)
2021
Journal Article
Light-Powered Reactivation of Flagella and Contraction of Microtubule Networks: Toward Building an Artificial Cell. ACS Synthetic Biology 10 (6), pp. 1490 - 1504 (2021)
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Advances in the HCl gas-phase electrolysis employing an oxygen-depolarized cathode. Electrochimica Acta 365, 137282 (2021)
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Novel Multiplicity and Stability Criteria for Non-Isothermal Fixed-Bed Reactors. Frontiers in Energy Research 8, 549298 (2021)
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Modeling and Simulation of Catalyst Deactivation and Regeneration Cycles for Propane Dehydrogenation - Comparison of Different Modeling Approaches. Chemical Engineering and Processing - Process Intensification, 108689 (2021)
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Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC. Chemical Engineering Science 246, 117002 (2021)
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Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems. AIChE Journal 67 (4), e17171 (2021)
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Transformation of CO2 incorporated in adducts of N-heterocyclic carbene into dialkyl carbonates under ambient conditions: An experimental and mechanistic study. Chemical Engineering Journal 413, 127469 (2021)
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Bottom-Up Synthesis of Artificial Cells: Recent Highlights and Future Challenges. Annual Review of Chemical and Biomolecular Engineering 12, pp. 287 - 308 (2021)
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Computer-aided solvent screening for the fractionation of wet microalgae biomass. Green Chemistry 23, pp. 10014 - 10029 (2021)
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Biogas upgrading using ionic liquid [Bmim][PF6] followed by thermal-plasma-assisted renewable hydrogen and solid carbon production. International Journal of Hydrogen Energy (2021)
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β-Carotene extraction from Dunaliella salina by supercritical CO2. Journal of Applied Phycology 33, pp. 1435 - 1445 (2021)
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Power-to-Syngas: A Parareal Optimal Control Approach. Frontiers in Energy Research 9, 720489 (2021)
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Integrated Cycles for Urban Biomass as a Strategy to Promote a CO2-Neutral Society—A Feasibility Study. Sustainability 13 (17), 9505 (2021)
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En route to dynamic life processes by SNARE-mediated fusion of polymer and hybrid membranes. Nature Communications 12, 4972 (2021)
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A Hierarchical Hybrid Method for Screening Ionic Liquid Solvents for Extractions Exemplified by the Extractive Desulfurization Process. ACS Sustainable Chemistry & Engineering 9 (7), pp. 2705 - 2716 (2021)
Journal Article
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
Forschungsarbeiten am Institut für Verfahrenstechnik der Otto‐von‐Guericke‐Universität Magdeburg. Chemie Ingenieur Technik 93 (3), pp. 345 - 352 (2021)
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Directed Signaling Cascades in Monodisperse Artificial Eukaryotic Cells. ACS Nano 15 (10), pp. 15656 - 15666 (2021)
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Model-Based Optimal Design of Phase Change Ionic Liquids for Efficient Thermal Energy Storage. Green Energy & Environment 6 (3), pp. 392 - 404 (2021)
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Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing. Frontiers of Chemical Science and Engineering 15, pp. 49 - 59 (2021)
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Thermal-plasma-assisted renewable hydrogen and solid carbon production from ionic liquid-based biogas upgrading: A process intensification study. Chemical Engineering and Processing - Process Intensification, 108777 (2021)
Journal Article
Evaluation of COSMO-RS for solid-liquid equilibria prediction of binary eutectic solvent systems. Green Energy & Environment 6 (3), pp. 371 - 379 (2021)
Journal Article
Decoupling oxygen and water transport dynamics in polymer electrolyte membrane fuel cells through frequency response methods based on partial pressure perturbations. Electrochimica Acta 390, 138788 (2021)
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Building a community to engineer synthetic cells and organelles from the bottom-up. eLife 10, e73556 (2021)
Journal Article
Transient non-specific DNA binding dominates the target search of bacterial DNA-binding proteins. Molecular Cell 81 (7), pp. 1499 - 1514 (2021)
Journal Article
Optimization of Pressure Swing Adsorption via a Trust-Region Filter Algorithm and Equilibrium Theory. Computers & Chemical Engineering 151, 107340 (2021)