Publications of Kai Sundmacher

Zimmermann, R. T.; Sundmacher, K.: Core–Shell Catalyst Pellets for Reaction Heat Release Control in Fixed-Bed Reactors. Industrial & Engineering Chemistry Research 63 (17), pp. 7556 - 7564 (2024)

Chen, G.; Song, Z.; Qi, Z.; Sundmacher, K.: A scalable and integrated machine learning framework for molecular properties prediction. AIChE Journal 69 (10), e18185 (2023)

Chen, G.; Song, Z.; Qi, Z.; Sundmacher, K.: Generalizing property prediction of ionic liquids from limited labeled data: a one-stop framework empowered by transfer learning. Digital Discovery 2, pp. 591 - 601 (2023)

Cheng, C.; Wei, G.; Zhisong , O.; Sundmacher, K.; Thévenin, D.: Direct numerical simulations of polypropylene gasification in supercritical water. Physics of Fluids 35 (6), 063321 (2023)

Dam, A. P.; Abuthaher, B. Y. A.; Papakonstantinou, G.; Sundmacher, K.: Insights into the Path-Dependent Charge of Iridium Dissolution Products and Stability of Electrocatalytic Water Splitting. Journal of The Electrochemical Society 170, 064504 (2023)

Franz, T.; Papakonstantinou, G.; Sundmacher, K.: Transient hydrogen crossover in dynamically operated PEM water electrolysis cells - A model-based analysis. Journal of Power Sources 559, 232582 (2023)

König-Mattern, L.; Komarova, A. O.; Ghosh, A.; Linke, S.; Rihko-Struckmann, L.; Luterbacher, J.; Sundmacher, K.: High-throughput computational solvent screening for lignocellulosic biomass processing. Chemical Engineering Journal 452, 139476 (2023)

Kopton, J.; Rihko-Struckmann, L.; König-Mattern, L.; Sundmacher, K.: Superstructure optimization of a microalgal biorefinery design with life cycle assessment‐based and economic objectives. Biofuels, Bioproducts and Biorefining 17 (6), pp. 1515 - 1527 (2023)

Maggi, A.; Bremer, J.; Sundmacher, K.: Multi-period optimization for the design and operation of a flexible power-to-methanol process. Chemical Engineering Science 281, 119202 (2023)

Minor, A.-J.; Goldhahn, R.; Rihko-Struckmann, L.; Sundmacher, K.: Chemical Recycling Processes of Nylon 6 to Caprolactam: Review and Techno-Economic Assessment. Chemical Engineering Journal 474, 145333 (2023)

Peña Arias, I.; Hanke-Rauschenbach, R.; Sundmacher, K.: Electrochemical Performance of a Spatially Distributed ECPrOx Reactor. ECS Advances 2 (3), 034501 (2023)

Rätze, K.; Kortuz, W.; Kirschtowski, S.; Jokiel, M.; Hamel, C.; Sundmacher, K.: Optimal experimental design for the identification of a reaction kinetic model for the hydroaminomethylation of 1-decene in a thermomorphic multiphase system. Chemical Engineering Journal 469, 143713 (2023)

Sanchez Medina, E. I.; Kunchapu, S.; Sundmacher, K.: Gibbs–Helmholtz Graph Neural Network for the Prediction of Activity Coefficients of Polymer Solutions at Infinite Dilution. The Journal of Physical Chemistry A 127, pp. 9863 - 9873 (2023)

Sanchez Medina, E. I.; Linke, S.; Stoll, M.; Sundmacher, K.: Gibbs–Helmholtz graph neural network: capturing the temperature dependency of activity coefficients at infinite dilution. Digital Discovery 2 (3), pp. 781 - 798 (2023)

Song, Z.; Chen, J.; Qin, H.; Qi, Z.; Sundmacher, K.: Extending UNIFAC models for solid-liquid equilibria prediction and design of eutectic solvent systems. Chemical Engineering Science 281, 119097 (2023)

Wang, Z.; Zhou, T.; Sundmacher, K.: Data‐driven integrated design of solvents and extractive distillation processes. AIChE Journal 69 (12), e18236 (2023)

Zimmermann, R. T.; Weber, S.; Bremer, J.; Idakiev, V.; Pashminehazar, R.; Sheppard, T. L.; Mörl, L.; Sundmacher, K.: Core–shell catalyst pellets for effective reaction heat management. Chemical Engineering Journal 457, 140921 (2023)

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)

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)

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)