Publications of Kai Sundmacher

Peterson, L.; Bremer, J.; Goyal, P. K.; Gosea, I. V.; Benner, P.; Sundmacher, K.: Learning Reduced-Order Models for Dynamic CO₂ Methanation using Operator Inference. In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 3319 - 3324 (Eds. Manenti, F.; Reklaitis, G. V.). ESCAPE34 - PSE24, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Sethi, S.; Zhang, X.; Sundmacher, K.: Rational Function-based Approach for Integrated Ionic Liquid Solvent Selection and Extractive Distillation Process Design. 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 1345 - 1350 (2024)

Svitnic, T.; Sundmacher, K.: Spatially Distributed Power-to-Methanol Plants in Dissimilar Locations: Specific or Standardized Designs? In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 1531 - 1536 (Eds. Manenti, F.; Reklaitis, G. V.). 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Vhora, K.; Neeraj, T.; Thévenin, D.; Janiga, G.; Sundmacher, K.: Investigating Fluid Flow Dynamics in Triply Periodic Minimal Surfaces (TPMS) Structures Using CFD Simulation. In: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, pp. 709 - 714 (Eds. Manenti, F.; Reklaitis, G. V.). 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, June 02, 2024 - June 06, 2024. Elsevier, Amsterdam/Netherlands (2024)

Minor, A.-J.; Goldhahn, R.; Rihko-Struckmann, L.; Sundmacher, K.: Techno-Economic Process Analysis of the Chemical Recycling of Nylon 6 Using Phosphoric Acid. In: 33rd European Symposium on Computer Aided Process Engineering, pp. 2393 - 2398 (Eds. Kokossis, A.; Georgiadis, M. C.; Pistikopoulos, E.). 33rd European Symposium on Computer Aided Process Engineering, Athen, Greece, June 18, 2023 - June 21, 2023. Elsevier, Amsterdam/Netherlands (2023)

Peterson, L.; Bremer, J.; Sundmacher, K.: Hybrid modeling of the catalytic CO2 methanation using process data and process knowledge. In: 33rd European Symposium on Computer Aided Process Engineering, pp. 1489 - 1494 (Eds. Kokossis, A.; Georgiadis, M. C.; Pistikopoulos, E.). 33rd European Symposium on Computer Aided Process Engineering, Athen, Greece, June 18, 2023 - June 21, 2023. Elsevier, Amsterdam/Netherlands (2023)

Sanchez Medina, E. I.; Sundmacher, K.: Solvent pre-selection for extractive distillation using Gibbs-Helmholtz Graph Neural Networks. In: 33rd European Symposium on Computer Aided Process Engineering, Vol. 52, pp. 2037 - 2042 (Eds. Kokossis, A.; Georgiadis, M.C.; Pistikopoulos, E.). 33rd European Symposium on Computer Aided Process Engineering, Athen, Greece, June 18, 2023 - June 21, 2023. Elsevier, Amsterdam/Netherlands (2023)

Wang, Z.; Zhou, T.; Sundmacher, K.: Molecular Property Targeting for Optimal Solvent Design in Extractive Distillation Processes. In: 33rd European Symposium on Computer Aided Process Engineering: Computer Aided Chemical Engineering, pp. 1247 - 1252 (Eds. Kokossis, A.; Georgiadis, M. C.; Pistikopoulos, E.). 33rd European Symposium on Computer Aided Process Engineering, Athen, Greece, June 18, 2023 - June 21, 2023. Elsevier, Amsterdam/Netherlands (2023)

Zhang, X.; Sundmacher, K.: Optimal Design of Anion-pillared Metal-organic Frameworks for Gas Separation. In: 33rd European Symposium on Computer Aided Process Engineering, pp. 991 - 996 (Eds. Kokossis, A.; Georgiadis, M. C.; Pistikopoulos, E.). 33rd European Symposium on Computer Aided Process Engineering, Athen, Greece, June 18, 2023 - June 21, 2023. Elsevier, Amsterdam/Netherlands (2023)

Wang, Z.; Zhou, T.; Sundmacher, K.: 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)

Zhang, X.; Zhou, T.; Sundmacher, K.: 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)

Zhou, T.; Wang, Z.; Sundmacher, K.: 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)

Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: 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)

Balasbas III, S.; Ivanov, I.; Sundmacher, K.: Metabolic Network Reconstruction from Time-Series of Concentration Data: Evaluation of the Numerical Matrices Methods. In: 31st European Symposium on Computer Aided Process Engineering, Vol. 50, pp. 1991 - 1996 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Bremer, J.; Heiland, J.; Benner, P.; Sundmacher, K.: Non-intrusive Time Galerkin POD for Optimal Control of a Fixed-Bed Reactor for CO₂ Methanation. 16th IFAC Symposium on Advanced Control of Chemical Processes - ADCHEM 2021, Venice, Italy, June 13, 2021 - June 16, 2021. IFAC-PapersOnLine 54 (3), pp. 122 - 127 (2021)

Sanchez Medina, E. I.; Linke, S.; Sundmacher, K.: Prediction of Bioconcentration Factors (BCF) using Graph Neural Networks. In: 31st European Symposium on Computer Aided Process Engineering, pp. 991 - 997 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Sanchez Medina, E. I.; Vallejo, D. R.; Chachuat, B.; Sundmacher, K.; Petsagkourakis, P.; del Rio-Chanona, E.A.: Acyclic modular flowsheet optimization using multiple trust regions and Gaussian process regression. In: 31st European Symposium on Computer Aided Process Engineering, pp. 1117 - 1123 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Song, Z.; Zhou, T.; Qi, Z.; Sundmacher, K.: Computer-Aided Screening of Deep Eutectic Solvent Systems for the Associative Extraction of α-Tocopherol from Deodorizer Distillate. In: 31st European Symposium on Computer Aided Process Engineering, pp. 341 - 346 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Zhou, T.; Shi, H.; Sundmacher, K.: Rational Design of Ionic Liquid Phase-Change Material for Efficient Thermal Energy Storage. In: 31st European Symposium on Computer Aided Process Engineering, pp. 191 - 196 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)

Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Multi-Period Design Optimization of Flexible Fixed-Bed Reactors by Stoichiometry-Based Model Reduction. In: 31st European Symposium on Computer Aided Process Engineering, pp. 947 - 952 (Eds. Türkay, M.; Gani, R.). 31st European Symposium on Computer Aided Process Engineering, Istanbul, Turkey/virtual, June 06, 2021 - June 09, 2021. Elsevier, Amsterdam, Netherlands (2021)