Publications PSE group
Journal Article (471)
2022
Journal Article
35, 100732 (2022)
Computer-aided molecular design of solvents for chemical separation processes. Current Opinion in Chemical Engineering
Journal Article
24, pp. 410 - 437 (2022)
Sustainability of green solvents – review and perspective. Green Chemistry
Journal Article
113, pp. 80 - 95 (2022)
Closed-loop real-time optimization for unsteady operating production systems. Journal of Process Control
Journal Article
249, 117243 (2022)
Integrated computer-aided molecular and process design: Green solvents for the hydroformylation of long-chain olefines. Chemical Engineering Science
Journal Article
43 (5), e2100712 (2022)
Fusion‐Induced Growth of Biomimetic Polymersomes: Behavior of Poly(dimethylsiloxane)‐Poly(ethylene oxide) Vesicles in Saline Solutions Under High Agitation. Macromolecular Rapid Communications
Journal Article
61 (11), pp. 4083 - 4094 (2022)
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
Journal Article
171, 108711 (2022)
Comparative screening of organic solvents, ionic liquids, and their binary mixtures for vitamin E extraction from deodorizer distillate. Chemical Engineering and Processing - Process Intensification
Journal Article
10 (1), 165 (2022)
High-Throughput Computational Screening of Ionic Liquids for Butadiene and Butene Separation. Processes
Journal Article
Graph neural networks for the prediction of infinite dilution activity coefficients. Digital Discovery (2022)
Journal Article
444, 136651 (2022)
Interpretable machine learning for accelerating the discovery of metal-organic frameworks for ethane/ethylene separation. Chemical Engineering Journal
Journal Article
160, 107739 (2022)
Identification of Optimal Metal-Organic Frameworks by Machine Learning: Structure Decomposition, Feature Integration, and Predictive Modeling. Computers & Chemical Engineering
Journal Article
14 (8), e202101878 (2022)
Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem
Journal Article
68 (1), 17402 (2022)
A systematic modeling methodology of deep neural network‐based structure‐property relationship for rapid and reliable prediction on flashpoints. AIChE Journal
Journal Article
16, pp. 303 - 315 (2022)
Energy-efficient recovery of tetrahydrofuran and ethyl acetate by triple-column extractive distillation: entrainer design and process optimization. Frontiers of Chemical Science and Engineering
Journal Article
68 (2), e17524 (2022)
Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization. AIChE Journal
Journal Article
12 (5), 869 (2022)
Computational Screening of Metal-Organic Frameworks for Ethylene Purification from Ethane/Ethylene/Acetylene Mixture. Nanomaterials
Journal Article
428, 130771 (2022)
Load-flexible fixed-bed reactors by multi-period design optimization. Chemical Engineering Journal 2021
Journal Article
10 (6), pp. 1490 - 1504 (2021)
Light-Powered Reactivation of Flagella and Contraction of Microtubule Networks: Toward Building an Artificial Cell. ACS Synthetic Biology
Journal Article
365, 137282 (2021)
Advances in the HCl gas-phase electrolysis employing an oxygen-depolarized cathode. Electrochimica Acta
Journal Article
8, 549298 (2021)
Novel Multiplicity and Stability Criteria for Non-Isothermal Fixed-Bed Reactors. Frontiers in Energy Research
Journal Article
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)
Journal Article
246, 117002 (2021)
Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC. Chemical Engineering Science
Journal Article
67 (4), e17171 (2021)
Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems. AIChE Journal
Journal Article
413, 127469 (2021)
Transformation of CO2 incorporated in adducts of N-heterocyclic carbene into dialkyl carbonates under ambient conditions: An experimental and mechanistic study. Chemical Engineering Journal
Journal Article
12, pp. 287 - 308 (2021)
Bottom-Up Synthesis of Artificial Cells: Recent Highlights and Future Challenges. Annual Review of Chemical and Biomolecular Engineering
Journal Article
23, pp. 10014 - 10029 (2021)
Computer-aided solvent screening for the fractionation of wet microalgae biomass. Green Chemistry
Journal Article
Biogas upgrading using ionic liquid [Bmim][PF6] followed by thermal-plasma-assisted renewable hydrogen and solid carbon production. International Journal of Hydrogen Energy (2021)
Journal Article
33, pp. 1435 - 1445 (2021)
β-Carotene extraction from Dunaliella salina by supercritical CO2. Journal of Applied Phycology
Journal Article
9, 720489 (2021)
Power-to-Syngas: A Parareal Optimal Control Approach. Frontiers in Energy Research
Journal Article
13 (17), 9505 (2021)
Integrated Cycles for Urban Biomass as a Strategy to Promote a CO2-Neutral Society—A Feasibility Study. Sustainability
Journal Article
12, 4972 (2021)
En route to dynamic life processes by SNARE-mediated fusion of polymer and hybrid membranes. Nature Communications
Journal Article
9 (7), pp. 2705 - 2716 (2021)
A Hierarchical Hybrid Method for Screening Ionic Liquid Solvents for Extractions Exemplified by the Extractive Desulfurization Process. ACS Sustainable Chemistry & Engineering
Journal Article
60 (48), pp. 17761 - 17777 (2021)
Comprehensive Evaluation of COSMO-RS for Predicting Ternary and Binary Ionic Liquid-Containing Vapor–Liquid Equilibria. Industrial & Engineering Chemistry Research
Journal Article
93 (3), pp. 345 - 352 (2021)
Forschungsarbeiten am Institut für Verfahrenstechnik der Otto‐von‐Guericke‐Universität Magdeburg. Chemie Ingenieur Technik
Journal Article
15 (10), pp. 15656 - 15666 (2021)
Directed Signaling Cascades in Monodisperse Artificial Eukaryotic Cells. ACS Nano
Journal Article
6 (3), pp. 392 - 404 (2021)
Model-Based Optimal Design of Phase Change Ionic Liquids for Efficient Thermal Energy Storage. Green Energy & Environment
Journal Article
15, pp. 49 - 59 (2021)
Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing. Frontiers of Chemical Science and Engineering
Journal Article
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
6 (3), pp. 371 - 379 (2021)
Evaluation of COSMO-RS for solid-liquid equilibria prediction of binary eutectic solvent systems. Green Energy & Environment
Journal Article
390, 138788 (2021)
Decoupling oxygen and water transport dynamics in polymer electrolyte membrane fuel cells through frequency response methods based on partial pressure perturbations. Electrochimica Acta
Journal Article
10, e73556 (2021)
Building a community to engineer synthetic cells and organelles from the bottom-up. eLife
Journal Article
81 (7), pp. 1499 - 1514 (2021)
Transient non-specific DNA binding dominates the target search of bacterial DNA-binding proteins. Molecular Cell
Journal Article
151, 107340 (2021)
Optimization of Pressure Swing Adsorption via a Trust-Region Filter Algorithm and Equilibrium Theory. Computers & Chemical Engineering
Journal Article
32 (5), pp. 897 - 903 (2021)
Scale up of Transmembrane NADH Oxidation in Synthetic Giant Vesicles. Bioconjugate Chemistry
Journal Article
9 (1), 65 (2021)
Machine Learning for Ionic Liquid Toxicity Prediction. Processes
Journal Article
306, 121767 (2021)
Model-based thermodynamic analysis of supercritical water gasification of oil-containing wastewater. Fuel
Journal Article
164, 105905 (2021)
Exploring the systemic delivery of a poorly water-soluble model drug to the retina using PLGA nanoparticles. European Journal of Pharmaceutical Sciences
Journal Article
67 (10), 17340 (2021)
Integrated Ionic Liquid and Rate‐Based Absorption Process Design for Gas Separation: Global Optimization Using Hybrid Models. AIChE Journal
Journal Article
60 (27), pp. 9992 - 10000 (2021)
Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification. Industrial & Engineering Chemistry Research
Journal Article
67 (1), e17064 (2021)
Optimization‐based cosmetic formulation: Integration of mechanistic model, surrogate model, and heuristics. AIChE Journal