Publications PSE group
Journal Article (496)
1.
Journal Article
69 (10), e18185 (2023)
A scalable and integrated machine learning framework for molecular properties prediction. AIChE Journal 2.
Journal Article
2, pp. 591 - 601 (2023)
Generalizing property prediction of ionic liquids from limited labeled data: a one-stop framework empowered by transfer learning. Digital Discovery 3.
Journal Article
170, 064504 (2023)
Insights into the Path-Dependent Charge of Iridium Dissolution Products and Stability of Electrocatalytic Water Splitting. Journal of The Electrochemical Society 4.
Journal Article
559, 232582 (2023)
Transient hydrogen crossover in dynamically operated PEM water electrolysis cells - A model-based analysis. Journal of Power Sources 5.
Journal Article
452, 139476 (2023)
High-throughput computational solvent screening for lignocellulosic biomass processing. Chemical Engineering Journal 6.
Journal Article
17 (6), pp. 1515 - 1527 (2023)
Superstructure optimization of a microalgal biorefinery design with life cycle assessment‐based and economic objectives. Biofuels, Bioproducts and Biorefining 7.
Journal Article
281, 119202 (2023)
Multi-period optimization for the design and operation of a flexible power-to-methanol process. Chemical Engineering Science 8.
Journal Article
474, 145333 (2023)
Chemical Recycling Processes of Nylon 6 to Caprolactam: Review and Techno-Economic Assessment. Chemical Engineering Journal 9.
Journal Article
2 (3), 034501 (2023)
Electrochemical Performance of a Spatially Distributed ECPrOx Reactor. ECS Advances 10.
Journal Article
469, 143713 (2023)
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 11.
Journal Article
2 (3), pp. 781 - 798 (2023)
Gibbs–Helmholtz graph neural network: capturing the temperature dependency of activity coefficients at infinite dilution. Digital Discovery 12.
Journal Article
281, 119097 (2023)
Extending UNIFAC models for solid-liquid equilibria prediction and design of eutectic solvent systems. Chemical Engineering Science 13.
Journal Article
69 (12), e18236 (2023)
Data‐driven integrated design of solvents and extractive distillation processes. AIChE Journal 14.
Journal Article
219, 119511 (2023)
Optimal retrofit of a novel multi-component supercritical thermal fluid generation system via thermodynamic analysis. Applied Thermal Engineering 15.
Journal Article
457, 140921 (2023)
Core–shell catalyst pellets for effective reaction heat management. Chemical Engineering Journal 16.
Journal Article
14 (15), e202200288 (2022)
Monolithic Al2O3 Xerogels with Hierarchical Meso‐/Macropore System as Catalyst Supports for Methanation of CO2. ChemCatChem 17.
Journal Article
180, 108689 (2022)
Modeling and Simulation of Catalyst Deactivation and Regeneration Cycles for Propane Dehydrogenation - Comparison of Different Modeling Approaches. Chemical Engineering and Processing - Process Intensification 18.
Journal Article
35, 100732 (2022)
Computer-aided molecular design of solvents for chemical separation processes. Current Opinion in Chemical Engineering 19.
Journal Article
262, 118042 (2022)
Rational eutectic solvent design by linking regular solution theory with QSAR modelling. Chemical Engineering Science 20.
Journal Article
10 (25), pp. 8216 - 8227 (2022)
Rational Screening of Deep Eutectic Solvents for the Direct Extraction of α-Tocopherol from Deodorized Distillates. ACS Sustainable Chemistry & Engineering 21.
Journal Article
12, 1195 (2022)
Modeling, Degradation Study, Failures Diagnosis and Faulty Operating Management of Electrolyzers. Membranes 22.
Journal Article
24, pp. 410 - 437 (2022)
Sustainability of green solvents – review and perspective. Green Chemistry 23.
Journal Article
113, pp. 80 - 95 (2022)
Closed-loop real-time optimization for unsteady operating production systems. Journal of Process Control 24.
Journal Article
249, 117243 (2022)
Integrated computer-aided molecular and process design: Green solvents for the hydroformylation of long-chain olefines. Chemical Engineering Science 25.
Journal Article
47 (100), pp. 42075 - 42083 (2022)
Biogas upgrading using ionic liquid [Bmim][PF6] followed by thermal-plasma-assisted renewable hydrogen and solid carbon production. International Journal of Hydrogen Energy 26.
Journal Article
119 (20), e2122468119 (2022)
Increased efficiency of charge-mediated fusion in polymer/lipid hybrid membranes. Proceedings of the National Academy of Sciences 27.
Journal Article
43 (5), e2100712 (2022)
Fusion‐Induced Growth of Biomimetic Polymersomes: Behavior of Poly(dimethylsiloxane)‐Poly(ethylene oxide) Vesicles in Saline Solutions Under High Agitation. Macromolecular Rapid Communications 28.
Journal Article
24 , pp. 14579 - 14591 (2022)
Electrochemical evaluation of the de-/re-activation of oxygen evolving Ir oxide. Physical Chemistry Chemical Physics 29.
Journal Article
61 (11), pp. 4083 - 4094 (2022)
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 30.
Journal Article
171, 108711 (2022)
Comparative screening of organic solvents, ionic liquids, and their binary mixtures for vitamin E extraction from deodorizer distillate. Chemical Engineering and Processing - Process Intensification 31.
Journal Article
10 (1), 165 (2022)
High-Throughput Computational Screening of Ionic Liquids for Butadiene and Butene Separation. Processes 32.
Journal Article
1 (3), pp. 216 - 225 (2022)
Graph neural networks for the prediction of infinite dilution activity coefficients. Digital Discovery 33.
Journal Article
180, 108777 (2022)
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 34.
Journal Article
326, 120017 (2022)
Renewable methanol production: Optimization-based design, scheduling and waste-heat utilization with the FluxMax approach. Applied Energy 35.
Journal Article
444, 136651 (2022)
Interpretable machine learning for accelerating the discovery of metal-organic frameworks for ethane/ethylene separation. Chemical Engineering Journal 36.
Journal Article
160, 107739 (2022)
Identification of Optimal Metal-Organic Frameworks by Machine Learning: Structure Decomposition, Feature Integration, and Predictive Modeling. Computers & Chemical Engineering 37.
Journal Article
14 (8), e202101878 (2022)
Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem 38.
Journal Article
68 (1), 17402 (2022)
A systematic modeling methodology of deep neural network‐based structure‐property relationship for rapid and reliable prediction on flashpoints. AIChE Journal 39.
Journal Article
244, 123163 (2022)
Optimal design of non-isothermal supercritical water gasification reactor: From biomass to hydrogen. Energy 40.
Journal Article
16, pp. 303 - 315 (2022)
Energy-efficient recovery of tetrahydrofuran and ethyl acetate by triple-column extractive distillation: entrainer design and process optimization. Frontiers of Chemical Science and Engineering 41.
Journal Article
259, 117801 (2022)
A neural recommender system for efficient adsorbent screening. Chemical Engineering Science 42.
Journal Article
68 (2), e17524 (2022)
Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization. AIChE Journal 43.
Journal Article
68 (9), e17788 (2022)
Integrated metal‐organic framework (MOF) and pressure/vacuum swing adsorption process design:MOFmatching. AIChE Journal 44.
Journal Article
12 (5), 869 (2022)
Computational Screening of Metal-Organic Frameworks for Ethylene Purification from Ethane/Ethylene/Acetylene Mixture. Nanomaterials 45.
Journal Article
428, 130771 (2022)
Load-flexible fixed-bed reactors by multi-period design optimization. Chemical Engineering Journal 46.
Journal Article
10 (6), pp. 1490 - 1504 (2021)
Light-Powered Reactivation of Flagella and Contraction of Microtubule Networks: Toward Building an Artificial Cell. ACS Synthetic Biology 47.
Journal Article
365, 137282 (2021)
Advances in the HCl gas-phase electrolysis employing an oxygen-depolarized cathode. Electrochimica Acta 48.
Journal Article
8, 549298 (2021)
Novel Multiplicity and Stability Criteria for Non-Isothermal Fixed-Bed Reactors. Frontiers in Energy Research 49.
Journal Article
246, 117002 (2021)
Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC. Chemical Engineering Science 50.
Journal Article
67 (4), e17171 (2021)
Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems. AIChE Journal