Publications PSE group
Journal Article (522)
1.
Journal Article
Catalyst Dissolution in Pem Water Electrolysis: Influence of Time, Current Density and Iridium Ion Transport in Single-Pass and Recirculation Water Flow Modes. Applied Catalysis B: Environment and Energy 365, 124946 (2025)
2.
Journal Article
Enhancing Reactive Microemulsion Processes: Dynamic Optimization and Cyclic Semibatch Operation for the Reductive Amination of Undecanal in a Mini-Plant. Industrial & Engineering Chemistry Research 64, pp. 520 - 534 (2025)
3.
Journal Article
Systematic solvent selection enables the fractionation of wet microalgal biomass. Separation and Purification Technology 354 (Part 8), 129462 (2025)
4.
Journal Article
Digital Twins in Process Engineering: An Overview on Computational and Numerical Methods. Computers and Chemical Engineering 193, 108917 (2025)
5.
Journal Article
Integrating machine learning model and computer-aided molecular design toward rational ionic liquid selection for separating fluorinated refrigerants. Separation and Purification Technology 356 (Part A), 129796 (2025)
6.
Journal Article
Process-driven solvent screening for efficient extractive distillation using interpolative rational functions. Chemical Engineering Science 301, 120675 (2025)
7.
Journal Article
Core‐Shell Catalyst Pellets for CO2Methanation in a Pilot‐Scale Fixed‐Bed Reactor. Chemie Ingenieur Technik 96, pp. 1718 - 1725 (2024)
8.
Journal Article
Assessing the future impact of 12 direct air capture technologies. Chemical Engineering Science 298, 120423 (2024)
9.
Journal Article
Xylose Acetals ‐ a New Class of Sustainable Solvents and Their Application in Enzymatic Polycondensation. ChemSusChem, e202401877 (2024)
10.
Journal Article
Machine learning-supported solvent design for lignin-first biorefineries and lignin upgrading. Chemical Engineering Journal 495, 153524 (2024)
11.
Journal Article
Framework conditions for the transformation toward a sustainable carbon-based chemical industry – A critical review of existing and potential contributions from the social sciences. Journal of Cleaner Production 470, 143279 (2024)
12.
Journal Article
Protein-Rich Rafts in Hybrid Polymer/Lipid Giant Unilamellar Vesicles. Biomacromolecules 25 (2), pp. 778 - 791 (2024)
13.
Journal Article
Challenges in data-based reactor modeling: A critical analysis of purely data-driven and hybrid models for a CSTR case study. Computers & Chemical Engineering 184, 108643 (2024)
14.
Journal Article
Crystallization‐Based Separation of ε‐Caprolactam from a Depolymerization Reaction Mixture – Fundamentals and Potential Separation Strategies. Chemie Ingenieur Technik 96 (12), pp. 1620 - 1631 (2024)
15.
Journal Article
Assessment of frequency response techniques in diagnosing polymer electrolyte membrane fuel cells. iScience 27, 110254 (2024)
16.
Journal Article
Optimal design of a sector-coupled renewable methanol production amid political goals and expected conflicts: Costs vs. land use. Sustainable Production and Consumption 44, pp. 123 - 150 (2024)
17.
Journal Article
Identifying standard and simple designs of Power-to-Methanol processes: The costs of complexity reduction. Energy Conversion and Management 307, 118325 (2024)
18.
Journal Article
Rational Design of Enzymatic Electrodes: Impact of Carbon Nanomaterial Types on the Electrode Performance. Molecules 29 (10), 2324 (2024)
19.
Journal Article
Improving the Accuracy of Activity Coefficient Estimation in Specialty Chemistry Using Local Estimators. Industrial & Engineering Chemistry Research 63, pp. 7902 - 7914 (2024)
20.
Journal Article
Tuning acid extraction of magnesium and calcium from platinum group metal tailings for CO2conversion and storage. RSC Sustainability 2 (11), pp. 3320 - 3333 (2024)
21.
Journal Article
Multiscale screening of metal‐organic frameworks for one‐step ethylene purification in pressure‐swing adsorption processes. AIChE Journal 70 (11), e18544 (2024)
22.
Journal Article
Core–Shell Catalyst Pellets for Reaction Heat Release Control in Fixed-Bed Reactors. Industrial & Engineering Chemistry Research 63 (17), pp. 7556 - 7564 (2024)
23.
Journal Article
A scalable and integrated machine learning framework for molecular properties prediction. AIChE Journal 69 (10), e18185 (2023)
24.
Journal Article
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)
25.
Journal Article
Direct numerical simulations of polypropylene gasification in supercritical water. Physics of Fluids 35 (6), 063321 (2023)
26.
Journal Article
Insights into the Path-Dependent Charge of Iridium Dissolution Products and Stability of Electrocatalytic Water Splitting. Journal of The Electrochemical Society 170, 064504 (2023)
27.
Journal Article
Transient hydrogen crossover in dynamically operated PEM water electrolysis cells - A model-based analysis. Journal of Power Sources 559, 232582 (2023)
28.
Journal Article
High-throughput computational solvent screening for lignocellulosic biomass processing. Chemical Engineering Journal 452, 139476 (2023)
29.
Journal Article
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)
30.
Journal Article
Multi-period optimization for the design and operation of a flexible power-to-methanol process. Chemical Engineering Science 281, 119202 (2023)
31.
Journal Article
Chemical Recycling Processes of Nylon 6 to Caprolactam: Review and Techno-Economic Assessment. Chemical Engineering Journal 474, 145333 (2023)
32.
Journal Article
Electrochemical Performance of a Spatially Distributed ECPrOx Reactor. ECS Advances 2 (3), 034501 (2023)
33.
Journal Article
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)
34.
Journal Article
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)
35.
Journal Article
Gibbs–Helmholtz graph neural network: capturing the temperature dependency of activity coefficients at infinite dilution. Digital Discovery 2 (3), pp. 781 - 798 (2023)
36.
Journal Article
Extending UNIFAC models for solid-liquid equilibria prediction and design of eutectic solvent systems. Chemical Engineering Science 281, 119097 (2023)
37.
Journal Article
Data‐driven integrated design of solvents and extractive distillation processes. AIChE Journal 69 (12), e18236 (2023)
38.
Journal Article
Optimal retrofit of a novel multi-component supercritical thermal fluid generation system via thermodynamic analysis. Applied Thermal Engineering 219, 119511 (2023)
39.
Journal Article
Multi-level computational screening of anion-pillared metal-organic frameworks for propane and propene separation. Separation and Purification Technology 312, 123378 (2023)
40.
Journal Article
Energy Applications of Ionic Liquids: Recent Developments and Future Prospects. Chemical Reviews 123, pp. 12170 - 12253 (2023)
41.
Journal Article
Core–shell catalyst pellets for effective reaction heat management. Chemical Engineering Journal 457, 140921 (2023)
42.
Journal Article
Monolithic Al2O3 Xerogels with Hierarchical Meso‐/Macropore System as Catalyst Supports for Methanation of CO2. ChemCatChem 14 (15), e202200288 (2022)
43.
Journal Article
Modeling and Simulation of Catalyst Deactivation and Regeneration Cycles for Propane Dehydrogenation - Comparison of Different Modeling Approaches. Chemical Engineering and Processing - Process Intensification 180, 108689 (2022)
44.
Journal Article
Computer-aided molecular design of solvents for chemical separation processes. Current Opinion in Chemical Engineering 35, 100732 (2022)
45.
Journal Article
Rational eutectic solvent design by linking regular solution theory with QSAR modelling. Chemical Engineering Science 262, 118042 (2022)
46.
Journal Article
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)
47.
Journal Article
Modeling, Degradation Study, Failures Diagnosis and Faulty Operating Management of Electrolyzers. Membranes 12, 1195 (2022)
48.
Journal Article
Sustainability of green solvents – review and perspective. Green Chemistry 24, pp. 410 - 437 (2022)
49.
Journal Article
Closed-loop real-time optimization for unsteady operating production systems. Journal of Process Control 113, pp. 80 - 95 (2022)
50.
Journal Article
Integrated computer-aided molecular and process design: Green solvents for the hydroformylation of long-chain olefines. Chemical Engineering Science 249, 117243 (2022)