Publications

51.

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)

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52.

Journal Article

Chen, J.; Zhu, F.; Qin, H.; Song, Z.; Qi, Z.; Sundmacher, K.: Rational eutectic solvent design by linking regular solution theory with QSAR modelling. Chemical Engineering Science 262, 118042 (2022)

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53.

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)

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54.

Journal Article

Guilbert, D.; Papakonstantinou, G.: Modeling, Degradation Study, Failures Diagnosis and Faulty Operating Management of Electrolyzers. Membranes 12, 1195 (2022)

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55.

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)

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56.

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)

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57.

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)

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58.

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 47 (100), pp. 42075 - 42083 (2022)

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59.

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)

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60.

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)

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61.

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)

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62.

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)

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63.

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)

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post-print

64.

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)

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65.

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)

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publisher-version

66.

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 180, 108777 (2022)

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67.

Journal Article

Svitnič, T.; Sundmacher, K.: Renewable methanol production: Optimization-based design, scheduling and waste-heat utilization with the FluxMax approach. Applied Energy 326, 120017 (2022)

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post-print

68.

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)

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69.

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)

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post-print

supplementary-material

70.

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)

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publisher-version

71.

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)

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72.

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)

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73.

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)

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74.

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)

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75.

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)

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publisher-version

76.

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)

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publisher-version

77.

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)

MPG.PuRe

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publisher-version

78.

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)

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publisher-version

79.

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)

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publisher-version

80.

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)

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81.

Journal Article

Bremer, J.; Sundmacher, K.: Novel Multiplicity and Stability Criteria for Non-Isothermal Fixed-Bed Reactors. Frontiers in Energy Research 8, 549298 (2021)

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82.

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)

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83.

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)

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84.

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)

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85.

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)

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86.

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)

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publisher-version

87.

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)

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publisher-version

88.

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)

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publisher-version

89.

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)

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publisher-version

90.

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)

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publisher-version

91.

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)

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publisher-version

92.

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)

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93.

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)

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publisher-version

94.

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)

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publisher-version

95.

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)

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publisher-version

96.

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)

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publisher-version

97.

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)

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publisher-version

98.

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)

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99.

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)

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100.

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)

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Journal Article (529)