Publications PSE group
Journal Article (30)
1.
Journal Article
14 (15), e202200288 (2022)
Monolithic Al2O3 Xerogels with Hierarchical Meso‐/Macropore System as Catalyst Supports for Methanation of CO2. ChemCatChem 2.
Journal Article
180, 108689 (2022)
Modeling and Simulation of Catalyst Deactivation and Regeneration Cycles for Propane Dehydrogenation - Comparison of Different Modeling Approaches. Chemical Engineering and Processing - Process Intensification 3.
Journal Article
35, 100732 (2022)
Computer-aided molecular design of solvents for chemical separation processes. Current Opinion in Chemical Engineering 4.
Journal Article
262, 118042 (2022)
Rational eutectic solvent design by linking regular solution theory with QSAR modelling. Chemical Engineering Science 5.
Journal Article
10 (25), pp. 8216 - 8227 (2022)
Rational Screening of Deep Eutectic Solvents for the Direct Extraction of α-Tocopherol from Deodorized Distillates. ACS Sustainable Chemistry & Engineering 6.
Journal Article
12, 1195 (2022)
Modeling, Degradation Study, Failures Diagnosis and Faulty Operating Management of Electrolyzers. Membranes 7.
Journal Article
24, pp. 410 - 437 (2022)
Sustainability of green solvents – review and perspective. Green Chemistry 8.
Journal Article
113, pp. 80 - 95 (2022)
Closed-loop real-time optimization for unsteady operating production systems. Journal of Process Control 9.
Journal Article
249, 117243 (2022)
Integrated computer-aided molecular and process design: Green solvents for the hydroformylation of long-chain olefines. Chemical Engineering Science 10.
Journal Article
47 (100), pp. 42075 - 42083 (2022)
Biogas upgrading using ionic liquid [Bmim][PF6] followed by thermal-plasma-assisted renewable hydrogen and solid carbon production. International Journal of Hydrogen Energy 11.
Journal Article
119 (20), e2122468119 (2022)
Increased efficiency of charge-mediated fusion in polymer/lipid hybrid membranes. Proceedings of the National Academy of Sciences 12.
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 13.
Journal Article
24 , pp. 14579 - 14591 (2022)
Electrochemical evaluation of the de-/re-activation of oxygen evolving Ir oxide. Physical Chemistry Chemical Physics 14.
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 15.
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 16.
Journal Article
10 (1), 165 (2022)
High-Throughput Computational Screening of Ionic Liquids for Butadiene and Butene Separation. Processes 17.
Journal Article
1 (3), pp. 216 - 225 (2022)
Graph neural networks for the prediction of infinite dilution activity coefficients. Digital Discovery 18.
Journal Article
180, 108777 (2022)
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 19.
Journal Article
326, 120017 (2022)
Renewable methanol production: Optimization-based design, scheduling and waste-heat utilization with the FluxMax approach. Applied Energy 20.
Journal Article
444, 136651 (2022)
Interpretable machine learning for accelerating the discovery of metal-organic frameworks for ethane/ethylene separation. Chemical Engineering Journal 21.
Journal Article
160, 107739 (2022)
Identification of Optimal Metal-Organic Frameworks by Machine Learning: Structure Decomposition, Feature Integration, and Predictive Modeling. Computers & Chemical Engineering 22.
Journal Article
14 (8), e202101878 (2022)
Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem 23.
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 24.
Journal Article
244, 123163 (2022)
Optimal design of non-isothermal supercritical water gasification reactor: From biomass to hydrogen. Energy 25.
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 26.
Journal Article
259, 117801 (2022)
A neural recommender system for efficient adsorbent screening. Chemical Engineering Science 27.
Journal Article
68 (2), e17524 (2022)
Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization. AIChE Journal 28.
Journal Article
68 (9), e17788 (2022)
Integrated metal‐organic framework (MOF) and pressure/vacuum swing adsorption process design:MOFmatching. AIChE Journal 29.
Journal Article
12 (5), 869 (2022)
Computational Screening of Metal-Organic Frameworks for Ethylene Purification from Ethane/Ethylene/Acetylene Mixture. Nanomaterials 30.
Journal Article
428, 130771 (2022)
Load-flexible fixed-bed reactors by multi-period design optimization. Chemical Engineering Journal Book (1)
31.
Book
Integrated Chemical Processes in Liquid Multiphase Systems: from Chemical Reaction to Process Design and Operation. De Gruyter, Berlin/Boston (2022), 622 pp.
Book Chapter (1)
32.
Book Chapter
Integrated Process Design. In: Integrated Chemical Processes in Liquid Multiphase Systems, pp. 509 - 573 (Eds. Kraume, M.; Enders, S.; Drews, A.; Schomäcker, R.; Engell, S. et al.). De Gruyter (2022)
Conference Paper (4)
33.
Conference Paper
A Novel Machine Learning-Based Optimization Approach for the Molecular Design of Solvents. In: 32nd European Symposium on Computer Aided Process Engineering, pp. 1477 - 1482. 32nd European Symposium on Computer Aided Process Engineering : ESCAPE 32, Toulouse, France, June 12, 2022 - June 15, 2022. Elsevier (2022)
34.
Conference Paper
Metal-Organic Framework Targeting for Optimal Pressure Swing Adsorption Processes. In: 14th International Symposium on Process Systems Engineering:, pp. 295 - 300 (Eds. Yamashita, Y.; Kano, M.). 14th International Symposium on Process Systems Engineering - PSE 2021 +, Kyoto, Japan, June 19, 2022 - June 23, 2022. Elsevier (2022)
35.
Conference Paper
A New Machine Learning Framework for Efficient MOF Discovery: Application to Hydrogen Storage. In: 14th International Symposium on Process Systems Engineering:, pp. 1807 - 1812 (Eds. Yamashita, Y.; Kano, M.). 14th International Symposium on Process Systems Engineering - PSE 2021+, Kyoto, Japan, June 19, 2022 - June 23, 2022. Elsevier (2022)
36.
Conference Paper
Optimal Catalyst-Reactor Design for Load-Flexible CO2 Methanation by Multi-Period Design Optimization. In: 14th International Symposium on Process Systems Engineering:, pp. 841 - 846 (Eds. Yamashita, Y.; Kano, M.). 14th International Symposium on Process Systems Engineering - PSE 2021 +, Kyoto, Japan, June 19, 2022 - June 23, 2022. Elsevier (2022)
Talk (18)
37.
Talk
Novel Multiplicity and Stability Criteria for Polytropic Fixed-Bed Reactors. 2022 AIChE Annual Meeting, Phoenix, USA (2022)
38.
Talk
New Insights on Fixed-Bed Reactor Dynamics Via Real-Time Distributed Temperature Sensing. 2022 AIChE Annual Meeting, Phoenix, USA (2022)
39.
Talk
Modelling ACL in PEMWEs using a multiscale method. Peruvian Conference on Scientific Computing, Cusco, Peru (2022)
40.
Talk
Insights on the Pathway-Related Charge of Iridium Dissolution Products and Implications for Electrocatalytic Water Splitting. ISE Regional Meeting 2022, Prague, Czech Republic (accepted)
41.
Talk
Insights on the Pathway-Related Charge of Iridium Dissolution Products and Electrocatalytic Stability of Water Splitting. 73rd ISE Annual Meeting, Virtual (accepted)
42.
Talk
Degradation of PEM Water Electrolyzers in connection to operating strategies. 5th International Workshop on Degradation Issues of Fuel Cells and Electrolyzers, Corfu, Greece (2022)
43.
Talk
Computational solvent screening for the organosolv fractionation of lignocellulosic biomass. ISGC 2022: International Symposium on Green Chemistry, La Rochelle, France (2022)
44.
Talk
Lipid extraction in microalgal biorefineries: A COSMO-RS approach. 18th International Conference on Renewable Resources and Biorefineries, Bruges, Belgium (2022)
45.
Talk
Multiperiod Design Optimization of a Flexible Power-to-Methanol Process. 26th International Congress of Chemical and Process Engineering (CHISA 2022)
, Prague, Czech Republic (2022)
46.
Talk
Multiperiod Design Optimization of a Flexible Power-to-Methanol Process. 2022 AIChE Annual Meeting, Phoenix, USA (2022)
47.
Talk
Electrochemical Investigation of the De-/Re-activation of Oxygen Evolving Iridium Oxide. 73rd ISE Annual Meeting, Virtual (accepted)
48.
Talk
Wasserstoff-Technologien: Bausteine einer CO2-neutralen Energieversorgung. Technikwissenschaftliche Vorlesung, Berlin-Brandenburgische Akademie der Wissenschaften, Berlin (2022)
49.
Talk
Optimization-based design of renewable methanol production encompassing waste heat utilization with the FluxMax approach. 2022 AIChE Annual Meeting, Phoenix, USA (2022)
50.
Talk
Mine tailings for CO2 mineralization - Towards efficient processes and usable products. 2022 AIChE Annual Meeting, Phoenix, USA (2022)