Publications PSE group

Journal Article (471)

1.
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)
2.
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)
3.
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)
4.
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)
5.
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)
6.
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)
7.
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)
8.
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)
9.
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 (2022)
10.
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)
11.
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)
12.
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)
13.
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)
14.
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)
15.
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)
16.
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)
17.
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)
18.
Journal Article
Ahmad, R.; Kleineberg, C.; Nasirimarekani, V.; Su, Y.-J.; Goli Pozveh, S.; Bae, A.; Sundmacher, K.; Bodenschatz, E.; Guido, I.; Vidaković-Koch, T. et al.; Gholami, A.: Light-Powered Reactivation of Flagella and Contraction of Microtubule Networks: Toward Building an Artificial Cell. ACS Synthetic Biology 10 (6), pp. 1490 - 1504 (2021)
19.
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)
20.
Journal Article
Bremer, J.; Sundmacher, K.: Novel Multiplicity and Stability Criteria for Non-Isothermal Fixed-Bed Reactors. Frontiers in Energy Research 8, 549298 (2021)
21.
Journal Article
Brune, A.; Geschke, A.; Seidel-Morgenstern, A.; Hamel, C.: 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)
22.
Journal Article
Chen, G.; Song, Z.; Qi, Z.: Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC. Chemical Engineering Science 246, 117002 (2021)
23.
Journal Article
Chen, G.; Song, Z.; Qi, Z.; Sundmacher, K.: Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems. AIChE Journal 67 (4), e17171 (2021)
24.
Journal Article
Hu, X.; Wang, J.; Mei, M.; Song, Z.; Cheng, H.; Chen, L.; Qi, Z.: 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)
25.
Journal Article
Ivanov, I.; Lopez-Castellanos, S.; Balasbas III, S.; Otrin, L.; Marušič, N.; Vidaković-Koch, T.; Sundmacher, K.: Bottom-Up Synthesis of Artificial Cells: Recent Highlights and Future Challenges. Annual Review of Chemical and Biomolecular Engineering 12, pp. 287 - 308 (2021)
26.
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)
27.
Journal Article
Long, N. V. D.; Kim, G. S.; Tran, N. N.; Lee, D. Y.; Fulcheri, L.; Song, Z.; Sundmacher, K.; Lee, M.; Hessel, V.: Biogas upgrading using ionic liquid [Bmim][PF6] followed by thermal-plasma-assisted renewable hydrogen and solid carbon production. International Journal of Hydrogen Energy (2021)
28.
Journal Article
Ludwig, K.; Rihko-Struckmann, L.; Brinitzer, G.; Unkelbach, G.; Sundmacher, K.: β-Carotene extraction from Dunaliella salina by supercritical CO2. Journal of Applied Phycology 33, pp. 1435 - 1445 (2021)
29.
Journal Article
Maggi, A.; Garmatter, D.; Sager, S.; Stoll, M.; Sundmacher, K.: Power-to-Syngas: A Parareal Optimal Control Approach. Frontiers in Energy Research 9, 720489 (2021)
30.
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)
31.
Journal Article
Otrin, L.; Witkowska, A.; Marušič, N.; Zhao, Z.; Lira, R. B.; Kyrilis, F. L.; Hamdi, F.; Ivanov, I.; Lipowsky, R.; Kastritis, P. L. et al.; Dimova, R.; Sundmacher, K.; Jahn, R.; Vidaković-Koch, T.: En route to dynamic life processes by SNARE-mediated fusion of polymer and hybrid membranes. Nature Communications 12, 4972 (2021)
32.
Journal Article
Peng, D.; Kleiweg, A.-J.; Winkelman, J. G. M.; Song, Z.; Picchioni, F.: 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)
33.
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)
34.
Journal Article
Reichl, U.; Seidel-Morgenstern, A.; Sundmacher, K.; Tsotsas, E.; van Wachem, B.: Forschungsarbeiten am Institut für Verfahrenstechnik der Otto‐von‐Guericke‐Universität Magdeburg. Chemie Ingenieur Technik 93 (3), pp. 345 - 352 (2021)
35.
Journal Article
Shetty, S. C.; Yandrapalli, N.; Pinkwart, K.; Krafft, D.; Vidaković-Koch, T.; Ivanov, I.; Robinson, T.: Directed Signaling Cascades in Monodisperse Artificial Eukaryotic Cells. ACS Nano 15 (10), pp. 15656 - 15666 (2021)
36.
Journal Article
Shi, H.; Zhang, X.; Sundmacher, K.; Zhou, T.: Model-Based Optimal Design of Phase Change Ionic Liquids for Efficient Thermal Energy Storage. Green Energy & Environment 6 (3), pp. 392 - 404 (2021)
37.
Journal Article
Shi, H.; Zhou, T.: Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing. Frontiers of Chemical Science and Engineering 15, pp. 49 - 59 (2021)
38.
Journal Article
Song , Z.; Long, N. V. D.; Qin, H.; Tran, N. N.; Fulcheri, L.; Hessel, V.; Sundmacher, K.: 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)
39.
Journal Article
Song, Z.; Wang, J.; Sundmacher, K.: Evaluation of COSMO-RS for solid-liquid equilibria prediction of binary eutectic solvent systems. Green Energy & Environment 6 (3), pp. 371 - 379 (2021)
40.
Journal Article
Sorrentino, A.; Sundmacher, K.; Vidaković-Koch, T.: 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)
41.
Journal Article
Staufer, O.; De Lora, J. A.; Bailoni, E.; Bazrafshan, A.; Benk, A. S.; Jahnke, K.; Manzer, Z. A.; Otrin, L.; Díez Pérez, T.; Sharon, J. et al.; Steinkühler, J.; Adamala, K. P.; Jacobson, B.; Dogterom, M.; Göpfrich, K.; Stefanovic, D.; Atlas, S. R.; Grunze, M.; Lakin, M. R.; Shreve, A. P.; Spatz, J. P.; López, G. P.: Building a community to engineer synthetic cells and organelles from the bottom-up. eLife 10, e73556 (2021)
42.
Journal Article
Stracy, M.; Schweizer, J.; Sherratt, D. J.; Kapanidis, A. N.; Uphoff, S.; Lesterlin, C.: Transient non-specific DNA binding dominates the target search of bacterial DNA-binding proteins. Molecular Cell 81 (7), pp. 1499 - 1514 (2021)
43.
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)
44.
Journal Article
Wang, M.; Weber, A.; Hartig, R.; Zheng, Y.; Krafft, D.; Vidaković-Koch, T.; Zuschratter, W.; Ivanov, I.; Sundmacher, K.: Scale up of Transmembrane NADH Oxidation in Synthetic Giant Vesicles. Bioconjugate Chemistry 32 (5), pp. 897 - 903 (2021)
45.
Journal Article
Wang, Z.; Song, Z.; Zhou, T.: Machine Learning for Ionic Liquid Toxicity Prediction. Processes 9 (1), 65 (2021)
46.
Journal Article
Xu, J.; Peng, Z.; Rong, S.; Jin, H.; Guo, L.; Zhang, X.; Zhou, T.: Model-based thermodynamic analysis of supercritical water gasification of oil-containing wastewater. Fuel 306, 121767 (2021)
47.
Journal Article
Zhang, E.; Osipova, N.; Sokolov, M.; Maksimenko, O.; Semyonkin, A.; Wang, M.; Grigartzik, L.; Gelperina, S.; Sabel, B. A.; Henrich-Noack, P.: Exploring the systemic delivery of a poorly water-soluble model drug to the retina using PLGA nanoparticles. European Journal of Pharmaceutical Sciences 164, 105905 (2021)
48.
Journal Article
Zhang, X.; Ding, X.; Song, Z.; Zhou, T.; Sundmacher, K.: Integrated Ionic Liquid and Rate‐Based Absorption Process Design for Gas Separation: Global Optimization Using Hybrid Models. AIChE Journal 67 (10), 17340 (2021)
49.
Journal Article
Zhang, X.; Wang, J.; Song, Z.; Zhou, T.: Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification. Industrial & Engineering Chemistry Research 60 (27), pp. 9992 - 10000 (2021)
50.
Journal Article
Zhang, X.; Zhou, T.; Ng, K. M.: Optimization‐based cosmetic formulation: Integration of mechanistic model, surrogate model, and heuristics. AIChE Journal 67 (1), e17064 (2021)
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