Publications PSE group

Journal Article (24)

2022
Journal Article
Abel, K. L.; Beger, T.; Poppitz, D.; Zimmermann, R. T.; Kuschel, O.; Sundmacher, K.; Gläser, R.: Monolithic Al2O3 Xerogels with Hierarchical Meso‐/Macropore System as Catalyst Supports for Methanation of CO2. ChemCatChem 14 (15), e202200288 (2022)
Journal Article
Chai, S.; Song, Z.; Zhou, T.; Zhang, L.; Qi, Z.: Computer-aided molecular design of solvents for chemical separation processes. Current Opinion in Chemical Engineering 35, 100732 (2022)
Journal Article
Cheng, J.; Qin, H.; Cheng, H.; Song, Z.; Qi, Z.; Sundmacher, K.: 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)
Journal Article
Hessel, V.; Tran, N. N.; Asrami, M. R.; Tran, Q. D.; Van Duc Long, N.; Escribà-Gelonch, M.; Tejada, J. O.; Linke, S.; Sundmacher, K.: Sustainability of green solvents – review and perspective. Green Chemistry 24, pp. 410 - 437 (2022)
Journal Article
Himmel, A.; Findeisen, R.; Sundmacher, K.: Closed-loop real-time optimization for unsteady operating production systems. Journal of Process Control 113, pp. 80 - 95 (2022)
Journal Article
Keßler, T.; Kunde, C.; Linke, S.; Sundmacher, K.; Kienle, A.: Integrated computer-aided molecular and process design: Green solvents for the hydroformylation of long-chain olefines. Chemical Engineering Science 249, 117243 (2022)
Journal Article
Marušič, N.; Otrin, L.; Rauchhaus, J.; Zhao, Z.; Kyrilis, F. L.; Hamdi, F.; Kastritis, P. L.; Dimova, R.; Ivanov, I.; Sundmacher, K.: Increased efficiency of charge-mediated fusion in polymer/lipid hybrid membranes. Proceedings of the National Academy of Sciences 119 (20), e2122468119 (2022)
Journal Article
Marušič, N.; Zhao, Z.; Otrin, L.; Dimova, R.; Ivanov, I.; Sundmacher, K.: 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)
Journal Article
Papakonstantinou, G.; Spanos, I.; Dam, A. P.; Schlögl, R.; Sundmacher, K.: Electrochemical evaluation of the de-/re-activation of oxygen evolving Ir oxide. Physical Chemistry Chemical Physics 24 , pp. 14579 - 14591 (2022)
Journal Article
Qin, H.; Cheng, J.; Yu, H.; Zhou, T.; Song , Z.: 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)
Journal Article
Qin, H.; Song, Z.; Qi, Z.; Sundmacher, K.: 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)
Journal Article
Qin, H.; Wang, Z.; Song, Z.; Zhang, X.; Zhou, T.: High-Throughput Computational Screening of Ionic Liquids for Butadiene and Butene Separation. Processes 10 (1), 165 (2022)
Journal Article
Sanchez Medina, E. I.; Linke, S.; Stoll, M.; Sundmacher, K.: Graph neural networks for the prediction of infinite dilution activity coefficients. Digital Discovery 1 (3), pp. 216 - 225 (2022)
Journal Article
Wang, Z.; Zhou, T.; Sundmacher, K.: Interpretable machine learning for accelerating the discovery of metal-organic frameworks for ethane/ethylene separation. Chemical Engineering Journal 444, 136651 (2022)
Journal Article
Wang, Z.; Zhou, Y.; Zhou, T.; Sundmacher, K.: Identification of Optimal Metal-Organic Frameworks by Machine Learning: Structure Decomposition, Feature Integration, and Predictive Modeling. Computers & Chemical Engineering 160, 107739 (2022)
Journal Article
Weber, S.; Zimmermann, R. T.; Bremer, J.; Abel, K. L.; Poppitz, D.; Prinz, N.; Ilsemann, J.; Wendholt, S.; Yang, Q.; Pashminehazar, R. et al.; Monaco, F.; Cloetens, P.; Huang, X.; Kübel, C.; Kondratenko, E.; Bauer, M.; Bäumer, M.; Zobel, M.; Gläser, R.; Sundmacher, K.; Sheppard, T. L.: Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem 14 (8), e202101878 (2022)
Journal Article
Wen, H.; Su, Y.; Wang, Z.; Jin, S.; Ren, J.; Shen, W.; Eden, M.: 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)
Journal Article
Xu, J.; Rong, S.; Sun, J.; Peng, Z.; Jin, H.; Guo, L.; Zhang, X.; Zhou, T.: Optimal design of non-isothermal supercritical water gasification reactor: From biomass to hydrogen. Energy 244, 123163 (2022)
Journal Article
Yang, A.; Su, Y.; Shi, T.; Ren, J.; Shen, W.; Zhou, T.: 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)
Journal Article
Zhang, X.; Sethi, S.; Wang, Z.; Zhou, T.; Qi, Z.; Sundmacher, K.: A neural recommender system for efficient adsorbent screening. Chemical Engineering Science 259, 117801 (2022)
Journal Article
Zhang, X.; Zhou, T.; Sundmacher, K.: Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization. AIChE Journal 68 (2), e17524 (2022)
Journal Article
Zhang, X.; Zhou, T.; Sundmacher, K.: Integrated metal‐organic framework (MOF) and pressure/vacuum swing adsorption process design:MOFmatching. AIChE Journal 68 (9), e17788 (2022)
Journal Article
Zhou, Y.; Zhang, X.; Zhou, T.; Sundmacher, K.: Computational Screening of Metal-Organic Frameworks for Ethylene Purification from Ethane/Ethylene/Acetylene Mixture. Nanomaterials 12 (5), 869 (2022)
Journal Article
Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Load-flexible fixed-bed reactors by multi-period design optimization. Chemical Engineering Journal 428, 130771 (2022)

Book (1)

2022
Book
Kraume, M.; Enders, S.; Drews, A.; Schomäcker, R.; Engell, S.; Sundmacher, K. (Eds.): Integrated Chemical Processes in Liquid Multiphase Systems: from Chemical Reaction to Process Design and Operation. De Gruyter, Berlin/Boston (2022), 622 pp.

Talk (5)

2022
Talk
Franz, T.; Phuc Dam, A.; Papakonstantinou, G.; Sundmacher, K.: Degradation of PEM Water Electrolyzers in connection to operating strategies. 5th International Workshop on Degradation Issues of Fuel Cells and Electrolyzers, Corfu, Greece (2022)
Talk
König-Mattern, L.; Komarova, A.; Linke, S.; Rihko-Struckmann, L.; Luterbacher, J.; Sundmacher, K.: Computational solvent screening for the organosolv fractionation of lignocellulosic biomass. ISGC 2022: International Symposium on Green Chemistry, La Rochelle, France (2022)
Talk
König-Mattern, L.; Linke, S.; Rihko-Struckmann, L.; Sundmacher, K.: Lipid extraction in microalgal biorefineries: A COSMO-RS approach. 18th International Conference on Renewable Resources and Biorefineries, Bruges, Belgium (2022)
Talk
Sundmacher, K.: Wasserstoff-Technologien: Bausteine einer CO2-neutralen Energieversorgung. Technikwissenschaftliche Vorlesung, Berlin-Brandenburgische Akademie der Wissenschaften, Berlin (2022)
Talk
Wang, Z.; Zhou, T.; Sundmacher, K.: A Novel Machine Learning-Based Optimization Approach for the Molecular Design of Solvents. ESCAPE-32, Toulouse, France (2022)

Poster (4)

2022
Poster
König-Mattern, L.; Linke, S.; Rihko-Struckmann, L.; Sundmacher, K.: Computer-aided solvent selection for the design of sustainable biorefinery processes. SmartProSys Symposium, Online (2022)
Poster
Qin, H.; Song, Z.; Qi, Z.; Sundmacher, K.: Computer-aided Design of Biphasic System Comprising Ionic Liquid and Conventional Solvent to Extract α-Tocopherol from Deodorizer Distillate. ESCAPE-32, Toulouse, France (2022)
Poster
Zhang, X.; Zhou, T.; Sundmacher, K.: Metal-Organic Framework Targeting for Optimal Pressure Swing Adsorption Process. 14th International Symposium on Process Systems Engineering: PSE 2021+ , Kyoto, Japan (2022)
Poster
Zhou, T.; Wang, Z.; Sundmacher, K.: A New Machine Learning Framework for Efficient MOF Discovery: Application to Hydrogen Storage. 14th International Symposium on Process Systems Engineering: PSE 2021+, Kyoto, Japan (2022)

Editorial (1)

2022
Editorial
Zhou, T.; Sundmacher, K.: Multiscale process systems engineering—analysis and design of chemical and energy systems from molecular design up to process optimization. Frontiers of Chemical Science and Engineering 16, pp. 137 - 140 (2022)
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