Publications

102.

Journal Article

Wang, Z.; Song, Z.; Zhou, T.: Machine Learning for Ionic Liquid Toxicity Prediction. Processes 9 (1), 65 (2021)

MPG.PuRe

103.

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)

MPG.PuRe

104.

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)

MPG.PuRe

105.

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)

MPG.PuRe

106.

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)

MPG.PuRe

107.

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)

MPG.PuRe

108.

Journal Article

Zhou, T.; Gani, R.; Sundmacher, K.: Hybrid data-driven and mechanistic modeling approaches for multiscale material and process design. Engineering 7 (9), pp. 1231 - 1238 (2021)

MPG.PuRe

109.

Journal Article

Zhou, T.; Shi, H.; Ding, X.; Zhou, Y.: Thermodynamic modeling and rational design of ionic liquids for pre-combustion carbon capture. Chemical Engineering Science 229, 116076 (2021)

MPG.PuRe

110.

Journal Article

Bechtel, S.; Bayer, B.; Vidaković-Koch, T.; Wiser, A.; Vogel, H.; Sundmacher, K.: Precise determination of LJ parameters and Eucken correction factors for a more accurate modeling of transport properties in gases. Heat and Mass Transfer 56 (8), pp. 2515 - 2527 (2020)

MPG.PuRe

111.

Journal Article

Bechtel, S.; Vidaković-Koch, T.; Weber, A. Z.; Sundmacher, K.: Model-Based Analysis of the Limiting Mechanisms in the Gas-Phase Oxidation of HCl Employing an Oxygen Depolarized Cathode. Journal of the Electrochemical Society 167, 013537 (2020)

MPG.PuRe

112.

Journal Article

Dam, A. P.; Papakonstantinou, G.; Sundmacher, K.: On the role of microkinetic network structure in the interplay between oxygen evolution reaction and catalyst dissolution. Scientific Reports 10, 14140 (2020)

MPG.PuRe

113.

Journal Article

Engel, S.; Liesche, G.; Sundmacher, K.; Janiga, G.; Thévenin, D.: Optimal Tube Bundle Arrangements in Side-Fired Methane Steam Reforming Furnaces. Frontiers in Energy Research 8, 583346 (2020)

MPG.PuRe

114.

Journal Article

Fachet, M.; Witte, C.; Flassig, R.; Rihko-Struckmann, L.; McKie-Krisberg, Z.; Polle, J.; Sundmacher, K.: Reconstruction and analysis of a carbon-core metabolic network for Dunaliella salina. BMC Bioinformatics 21, 1 (2020)

MPG.PuRe

115.

Journal Article

Himmel, A.; Sager, S.; Sundmacher, K.: Time-minimal set point transition for nonlinear SISO systems under different constraints. Automatica 114, 108806 (2020)

MPG.PuRe

116.

Journal Article

Kleineberg, C.; Wölfer, C.; Abbasnia, A.; Pischel, D.; Bednarz, C.; Ivanov, I.; Heitkamp, T.; Börsch, M.; Sundmacher, K.; Vidaković-Koch, T.: Light-Driven ATP Regeneration in Diblock/Grafted Hybrid Vesicles. ChemBioChem 21 (15), pp. 2149 - 2160 (2020)

MPG.PuRe

117.

Journal Article

Linke, S.; McBride, K.; Sundmacher, K.: Systematic Green Solvent Selection for the Hydroformylation of Long-Chain Alkenes. ACS Sustainable Chemistry & Engineering 8 (29), pp. 10795 - 10811 (2020)

MPG.PuRe

118.

Journal Article

Maggi, A.; Wenzel, M.; Sundmacher, K.: Mixed-Integer Linear Programming (MILP) Approach for the Synthesis of Efficient Power-to-Syngas Processes. Frontiers in Energy Research 8, 161 (2020)

MPG.PuRe

119.

Journal Article

Marusic, N.; Otrin, L.; Zhao, Z.; Lira, R. B.; Kyrilis, F. L.; Hamdi, F.; Kastritis, P. L.; Vidaković-Koch, T.; Ivanov, I.; Sundmacher, K. et al.; Dimova, R.: Constructing artificial respiratory chain in polymer compartments: Insights into the interplay between bo3 oxidase and the membrane. Proceedings of the National Academy of Sciences 117 (26), pp. 15006 - 15017 (2020)

MPG.PuRe

120.

Journal Article

McBride, K.; Sanchez Medina, E. I.; Sundmacher, K.: Hybrid Semi‐parametric Modeling in Separation Processes: A Review. Chemie Ingenieur Technik 92 (7), pp. 842-855 - 855 (2020)

MPG.PuRe

121.

Journal Article

Papakonstantinou, G.; Algara-Siller, G.; Teschner, D.; Vidaković-Koch, T.; Schlögl, R.; Sundmacher, K.: Degradation study of a proton exchange membrane water electrolyzer under dynamic operation conditions. Applied Energy 280, 115911 (2020)

MPG.PuRe

122.

Journal Article

Rihko-Struckmann, L.; Oluyinka, O. B.; Sahni, A.; McBride, K.; Fachet, M.; Ludwig, K.; Sundmacher, K.: Transformation of remnant algal biomass to 5-HMF and levulinic acid: influence of a biphasic solvent system. RSC Advances 10 (42), pp. 24753 - 24763 (2020)

MPG.PuRe

123.

Journal Article

Schack, D.; Jastram, A.; Liesche, G.; Sundmacher, K.: Energy-Efficient Distillation Processes by Additional Heat Transfer Derived From the FluxMax Approach. Frontiers in Energy Research 8, 134 (2020)

MPG.PuRe

124.

Journal Article

Schack, D.; Liesche, G.; Sundmacher, K.: The FluxMax approach: Simultaneous flux optimization and heat integration by discretization of thermodynamic state space illustrated on methanol synthesis process. Chemical Engineering Science 215, 115382 (2020)

MPG.PuRe

125.

Journal Article

Song, Z.; Hu, X.; Wu, H.; Mei, M.; Linke, S.; Zhou, T.; Qi, Z.; Sundmacher, K.: Systematic Screening of Deep Eutectic Solvents as Sustainable Separation Media Exemplified by the CO₂ Capture Process. ACS Sustainable Chemistry & Engineering 8 (23), pp. 8741 - 8751 (2020)

MPG.PuRe

126.

Journal Article

Song, Z.; Shi, H.; Zhang, X.; Zhou, T.: Prediction of CO2 solubility in ionic liquids using machine learning methods. Chemical Engineering Science 223, 115752 (2020)

MPG.PuRe

127.

Journal Article

Song, Z.; Zhou, T.; Qi, Z.; Sundmacher, K.: Extending the UNIFAC model for ionic liquid‐solute systems by combining experimental and computational databases. AIChE-Journal 66 (2), e16821 (2020)

MPG.PuRe

128.

Journal Article

Sorrentino, A.; Sundmacher, K.; Vidaković-Koch, T.: Polymer Electrolyte Fuel Cell Degradation Mechanisms and Their Diagnosis by Frequency Response Analysis Methods: A Review. Energies 13 (21), 5825 (2020)

MPG.PuRe

129.

Journal Article

Uebbing, J.; Rihko-Struckmann, L.; Sager, S.; Sundmacher, K.: CO2 methanation process synthesis by superstructure optimization. Journal of CO2 Utilization 40, 101228 (2020)

MPG.PuRe

130.

Journal Article

Varničić, M.; Zasheva, I. N.; Haak, E.; Sundmacher, K.; Vidaković-Koch, T.: Selectivity and Sustainability of Electroenzymatic Process for Glucose Conversion to Gluconic Acid. Catalysts 10 (3), 269 (2020)

MPG.PuRe

131.

Journal Article

Vogel , S. K.; Wölfer, C.; Ramirez-Diaz, D. A.; Flassig, R.; Sundmacher, K.; Schwille, P.: Symmetry breaking and emergence of directional flows in minimal actomyosin cortices. Cells 9 (6), 1432 (2020)

MPG.PuRe

132.

Journal Article

Vorhauer-Huget, N.; Altaf, H.; Dürr, R.; Tsotsas, E.; Vidaković-Koch, T.: Computational Optimization of Porous Structures for Electrochemical Processes. Processes 8 (10), 1205 (2020)

MPG.PuRe

133.

Journal Article

Wang, J.; Song, Z.; Cheng, H.; Chen, L.; Deng, L.; Qi, Z.: Multilevel screening of ionic liquid absorbents for simultaneous removal of CO₂ and H₂S from natural gas. Separation and Purification Technology 248, 117053 (2020)

MPG.PuRe

134.

Journal Article

Wang, J.; Song, Z.; Li, X.; Cheng, H.; Chen, L.; Qi, Z.: Toward Rational Functionalization of Ionic Liquids for Enhanced Extractive Desulfurization: Computer-Aided Solvent Design and Molecular Dynamics Simulation. Industrial & Engineering Chemistry Research 59, pp. 2093 - 2103 (2020)

MPG.PuRe

135.

Journal Article

Weber, S.; Abel, K. L.; Zimmermann, R. T.; Huang, X.; Bremer, J.; Rihko-Struckmann, L.; Batey, D.; Cipiccia, S.; Titus, J.; Poppitz, D. et al.; Kübel, C.; Sundmacher, K.; Gläser, R.; Sheppard, T. L.: Porosity and Structure of Hierarchically Porous Ni/Al2O3 Catalysts for CO2 Methanation. Catalysts 10 (12), 1471 (2020)

MPG.PuRe

136.

Journal Article

Yang, A.; Su, Y.; Teng, L.; Jin, S.; Zhou, T.; Shen, W.: Investigation of energy-efficient and sustainable reactive/pressure-swing distillation processes to recover tetrahydrofuran and ethanol from the industrial effluent. Separation and Purification Technology 250, 117210 (2020)

MPG.PuRe

137.

Journal Article

Zeng, Q.; Song, Z.; Qin, H.; Cheng, H.; Chen, L.; Pan, M.; Heng, Y.; Qi, Z.: Ionic liquid [BMIm][HSO₄] as dual catalyst-solvent for the esterification of hexanoic acid with n-butanol. Catalysis Today 339, pp. 113 - 119 (2020)

MPG.PuRe

138.

Journal Article

Zhang, C.; Song, Z.; Jin, C.; Nijhuis, J.; Zhou, T.; Noël, T.; Gröger, H.; Sundmacher, K.; van Hest, J.; Hessel, V.: Screening of functional solvent system for automatic aldehyde and ketone separation in aldol reaction: A combined COSMO-RS and experimental approach. Chemical Engineering Journal 385, 123399 (2020)

MPG.PuRe

139.

Journal Article

Zhang, X.; Song, Z.; Gani, R.; Zhou, T.: Comparative Economic Analysis of Physical, Chemical, and Hybrid Absorption Processes for Carbon Capture. Industrial & Engineering Chemistry Research 59, pp. 2005 - 2012 (2020)

MPG.PuRe

140.

Journal Article

Zhou, T.; McBride, K.; Linke, S.; Song, Z.; Sundmacher, K.: Computer-aided solvent selection and design for efficient chemical processes. Current Opinion in Chemical Engineering 27, pp. 35 - 44 (2020)

MPG.PuRe

141.

Journal Article

Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Optimal catalyst particle design for flexible fixed-bed CO₂methanation reactors. Chemical Engineering Journal 387, 123704 (2020)

MPG.PuRe

142.

Journal Article

Bartsch, C.; Wiedmeyer, V.; Lakdawala, Z.; Patterson, R. I.A.; Voigt, A.; Sundmacher, K.; John, V.: Stochastic-Deterministic Population Balance Modeling and Simulation of a Fluidized Bed Crystallizer Experiment. Chemical Engineering Science 208, 115102 (2019)

MPG.PuRe

143.

Journal Article

Bechtel, S.; Sorrentino, A.; Vidaković-Koch, T.; Weber, A. Z.; Sundmacher, K.: Electrochemical gas phase oxidation of hydrogen chloride to chlorine: Model-based analysis of transport and reaction mechanisms. Electrochimica Acta 324, 134780 (2019)

MPG.PuRe

144.

Journal Article

Bechtel, S.; Vidaković-Koch, T.; Sundmacher, K.: Energy-Efficient Gas-Phase Electrolysis of Hydrogen Chloride. Chemie-Ingenieur-Technik 91 (6), pp. 795 - 808 (2019)

MPG.PuRe

145.

Journal Article

Bremer, J.; Sundmacher, K.: Operation range extension via hot-spot control for catalytic CO₂ methanation reactors. Reaction Chemistry & Engineering 6 (4), pp. 1019 - 1037 (2019)

MPG.PuRe

146.

Journal Article

Ivanov, I.; Lira, R. d.; Tang, T.-Y. D.; Franzmann, T.; Klosin, A.; Caire da Silva, L.; Hyman, A.; Landfester, K.; Lipowsky, R.; Sundmacher, K. et al.; Dimova, R.: Directed Growth of Biomimetic Microcompartments. Advanced Biosystems 3 (6), 1800314 (2019)

MPG.PuRe

147.

Journal Article

Jokiel, M.; Kaiser, N. M.; Kováts, P.; Mansour, M.; Zähringer, K.; Nigam, K. D. P.; Sundmacher, K.: Helically coiled segmented flow tubular reactor for the hydroformylation of long-chain olefins in a thermomorphic multiphase system. Chemical Engineering Journal (ISCRE 25 Special Issue) 377, 120060 (2019)

MPG.PuRe

148.

Journal Article

Jokiel, M.; Rätze, K.; Kaiser, N. M.; Künnemann, K.; Hollenbeck, J.-P.; Dreimann, J. M.; Vogt, D.; Sundmacher, K.: Miniplant-Scale Evaluation of a Semibatch-Continuous Tandem Reactor System for the Hydroformylation of Long-Chain Olefins. Industrial and Engineering Chemistry Research 58 (7), pp. 2471 - 2480 (2019)

MPG.PuRe

149.

Journal Article

Keßler, T.; Kunde, C.; Linke, S.; McBride, K.; Sundmacher, K.; Kienle, A.: Systematic Selection of Green Solvents and Process Optimization for the Hydroformylation of Long-Chain Olefines. Processes 7 (12), 882 (2019)

MPG.PuRe

150.

Journal Article

Keßler, T.; Kunde, C.; McBride, K.; Mertens, N.; Michaels, D.; Sundmacher, K.; Kienle, A.: Global optimization of distillation columns using explicit and implicit surrogate models. Chemical Engineering Science 197, pp. 235 - 245 (2019)

MPG.PuRe