Publikationen 2020
Journal Article
Optimal experimental design for optimal process design: A trilevel optimization formulation
AIChE journal 66(1), e16788 (2020) [10.1002/aic.16788]
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Journal Article
Extreme Events as Part of Time Series Aggregation: A Case Study for the Optimization of Residential Energy Supply Systems
Applied energy 275, 115223 - (2020) [10.1016/j.apenergy.2020.115223]
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Journal Article
Integrated design of renewable fuels and their production processes: recent advances and challenges
Current opinion in chemical engineering 27, 45 - 50 (2020) [10.1016/j.coche.2019.11.001]
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Journal Article
Integrated design of processes and products: Optimal renewable fuels
Computers & chemical engineering 134, 106712 (2020) [10.1016/j.compchemeng.2019.106712]
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Journal Article
Power‐to‐X: Between Electricity Storage, e‐Production, and Demand Side Management
Chemie - Ingenieur - Technik 92(1-2), 74 - 84 (2020) [10.1002/cite.201900102]
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Journal Article
Modular modeling of electrochemical reactors: Comparison of CO2-electolyzers
Computers & chemical engineering 139, 106890 - (2020) [10.1016/j.compchemeng.2020.106890]
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Journal Article
Two-Tank MultiCompartment Redox Flow Battery
Journal of energy storage 29, 101412 - (2020) [10.1016/j.est.2020.101412]
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Journal Article
Model compendium, data, and optimization benchmarks for sector-coupled energy systems
Computers & chemical engineering 135, 106760 - (2020) [10.1016/j.compchemeng.2020.106760]
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Journal Article
A wave propagation approach for reduced dynamic modeling of distillation columns: Optimization and control
Journal of process control 91, 12 - 24 (2020) [10.1016/j.jprocont.2020.05.004]
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Journal Article
Dynamic optimization with complementarity constraints: Smoothing for direct shooting
Computers & chemical engineering 139, 106891 - (2020) [10.1016/j.compchemeng.2020.106891]
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Journal Article
The integration of scheduling and control: Top-down vs. bottom-up
Journal of process control 91, 50 - 62 (2020) [10.1016/j.jprocont.2020.05.008]
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Preprint
Graph Neural Networks for Prediction of Fuel Ignition Quality
[10.26434/chemrxiv.12280325.v1]
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Preprint
Global Optimization of Gaussian Processes
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Journal Article
Wavelet-based grid-adaptation for nonlinear scheduling subject to time-variable electricity prices
Computers & chemical engineering 132, 106598 - (2020) [10.1016/j.compchemeng.2019.106598]
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Journal Article
Early-stage evaluation of emerging CO 2 utilization technologies at low technology readiness levels
Green chemistry 22(12), 3842-3859 (2020) [10.1039/C9GC04440J]
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Journal Article
Analysis of the local well‐posedness of optimization‐constrained differential equations by local optimality conditions
AIChE journal 66(10), e16548 (2020) [10.1002/aic.16548]
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Journal Article
OWL2Go: Auto-generation of Go data models for OWL ontologies with integrated serialization and deserialization functionality
SoftwareX 12, 100571 - (2020) [10.1016/j.softx.2020.100571]
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Journal Article
Simulation of differential-algebraic equation systems with optimization criteria embedded in Modelica
Computers & chemical engineering 140, 106920 - (2020) [10.1016/j.compchemeng.2020.106920]
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Journal Article
High-performance charging for the electrification of highway traffic: Optimal operation, infrastructure requirements and economic viability
Applied energy 280, 115706 - (2020) [10.1016/j.apenergy.2020.115706]
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Contribution to a conference proceedings/Contribution to a book
Design optimization of a heating network with multiple heat pumps using Mixed Integer Quadratically Constrained Programming
33rd International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems, ECOS2020, OsakaOsaka, Japan, 29 Jun 2020 - 3 Jul 2020
1745-1755 (2020)
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Contribution to a conference proceedings
Economic and Ecologic Evaluation of Low Temperature Waste Heat Integration Into Existing District Heating
Building Simulation 2019, RomeRome, Italy, 2 Sep 2019 - 4 Sep 2019
3250-3257 (2020) [10.26868/25222708.2019.210342]
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Contribution to a conference proceedings
On Verification of Designed Energy Systems Using Distributed Co-Simulations
2020 IEEE/ACM 24th International Symposium on Distributed Simulation and Real Time Applications (DS-RT), PraguePrague, Czech Republic, 14 Sep 2020 - 16 Sep 2020
IEEE 1-8 (2020) [10.1109/DS-RT50469.2020.9213689]
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Journal Article/Contribution to a conference proceedings
The cost of defossilization in energy‐intensive industries: Techno‐economic analysis of power‐to‐H 2 in copper production
10. ProcessNet-Jahrestagung und 34. DECHEMA-Jahrestagung der Biotechnologen 2020, AachenAachen, Germany, 21 Sep 2020 - 24 Sep 2020
Chemie - Ingenieur - Technik 92(9), 1264 - 1264 (2020) [10.1002/cite.202055424]
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Journal Article
Graph Neural Networks for Prediction of Fuel Ignition Quality
Energy & fuels 34(9), 11395 - 11407 (2020) [10.1021/acs.energyfuels.0c01533]
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Conference Presentation (Other)
Graph Neural Networks for Prediction of Fuel Ignition Quality
2020 Virtual AIChE Annual Meeting, VirtualVirtual, USA, 16 Nov 2020 - 20 Nov 2020
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Poster (Other)
Graph Neural Networks for Prediction of Fuel Ignition Quality
8th International Conference on "Fuel Science – From Production to Propulsion", VirtualVirtual, Germany, 23 Jun 2020 - 25 Jun 2020
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Poster (Other)
Model-Based Fuel Design: Towards Well-to-Wheel Optimization
8th International Conference on "Fuel Science – From Production to Propulsion", VirtualVirtual, Germany, 23 Jun 2020 - 25 Jun 2020
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Conference Presentation (Other)
Model-based Design of Gasoline/Renewable Fuel Blends by Simultaneous Product and Process Optimization
8th International Conference on "Fuel Science – From Production to Propulsion", VirtualVirtual, Germany, 23 Jun 2020 - 25 Jun 2020
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Conference Presentation (Other)
Deep End-To-End Learning on Molecular Graphs for Physico- Chemical Property Prediction using Graph Neural Networks
3rd International Conference on Machine Learning and AI in (bio)Chemical Engineering, VirtualVirtual, UK, 8 Jul 2020 - 9 Jul 2020
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Conference Presentation (Other)
Flexibilität und Dekarbonisierung energieintensiver Industrien:Das Beispiel Kupfer-Produktion
IN4climate.NRW "Wissenschaft trifft Wirtschaft: Forschung für eine klimaneutrale und wettbewerbsfähige Grundstoffindustrie", VirtualVirtual, Germany, 4 Dec 2020 - 4 Dec 2020
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Journal Article
Techno-Economic Comparison of Flexibility Options in Chlorine Production
Industrial & engineering chemistry 59(26), 12186 - 12196 (2020) [10.1021/acs.iecr.0c01775]
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Journal Article
Nonlinear scheduling with time‐variable electricity prices using sensitivity‐based truncations of wavelet transforms
AIChE journal 66(10), e16986 (2020) [10.1002/aic.16986]
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Journal Article
Deterministic global superstructure-based optimization of an organic Rankine cycle
Computers & chemical engineering 141, 106996 - (2020) [10.1016/j.compchemeng.2020.106996]
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Preprint
Obey validity limits of data-driven models
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Journal Article
Corrigendum: “Production of Oxymethylene Dimethyl Ethers from Hydrogen and Carbon Dioxide–Part I: Modeling and Analysis for OME1 & Part II: Modeling and Analysis for OME 3–5 ”
Industrial & engineering chemistry 59(49), 21615 - 21616 (2020) [10.1021/acs.iecr.0c05592]
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Journal Article
Do investments in flexibility enhance sustainability? A simulative study considering the German electricity sector
AIChE journal 66(11), e17010 (2020) [10.1002/aic.17010]
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Contribution to a conference proceedings
Tailored Time Grids for Nonlinear Scheduling Subject to Time-variable Electricity Prices by Wavelet-based Analysis
The 30th European Symposium on Computer Aided Process Engineering, ESCAPE 30, VirtualVirtual, Italy, 31 Aug 2020 - 2 Sep 2020
Amsterdam [u.a.] : Elsevier 48, 1123-1128 (2020)
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Journal Article
The Potential of Hybrid Mechanistic/Data‐Driven Approaches for Reduced Dynamic Modeling: Application to Distillation Columns
Chemie - Ingenieur - Technik 92(12), 1910 - 1920 (2020) [10.1002/cite.202000048]
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Contribution to a conference proceedings/Contribution to a book
Mixed-Integer Dynamic Scheduling Optimization for Demand Side Management
ESCAPE 30 European Symposium on Computer Aided Process Engineering, ESCAPE, MilanMilan, Italy, 30 Aug 2020 - 2 Sep 2020
Amsterdam [u.a.] : Elsevier, Computer aided chemical engineering 48, (2020) [10.1016/B978-0-12-823377-1.50235-4]
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Contribution to a conference proceedings/Contribution to a book
Hybrid Mechanistic Data-Driven Modeling for the Deterministic Global Optimization of a Transcritical Organic Rankine Cycle
The 30th European Symposium on Computer Aided Process Engineering, ESCAPE 30, VirtualVirtual, Italy, 31 Aug 2020 - 2 Sep 2020
Amsterdam [u.a.] : Elsevier, Computer aided chemical engineering 48, 1765-1770 (2020)
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Journal Article
Accelerating nonlinear model predictive control through machine learning
Journal of process control 92, 261 - 270 (2020) [10.1016/j.jprocont.2020.06.012]
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Journal Article
DeLoop: Decomposition-based Long-term operational optimization of energy systems with time-coupling constraints
Energy 198, 117272 - (2020) [10.1016/j.energy.2020.117272]
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Journal Article
Capillary-assisted evaporation of water from finned tubes – Impacts of experimental setups and dynamics
Applied thermal engineering 165, 114620 - (2020) [10.1016/j.applthermaleng.2019.114620]
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Contribution to a conference proceedings
Environmental Impacts of the Future German Energy System from Integrated Energy Systems Optimization and Life Cycle Assessment
30th European Symposium on Computer Aided Process Engineering, onlineonline, Italy, 30 Aug 2020 - 2 Sep 2020
241-246 (2020)
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Journal Article
Towards a circular economy for plastic packaging wastes – the environmental potential of chemical recycling
Resources, conservation and recycling 162, 105010 - (2020) [10.1016/j.resconrec.2020.105010]
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Journal Article
Rx‐COSMO‐CAMPD: Enhancing Reactions by Integrated Computer‐Aided Design of Solvents and Processes based on Quantum Chemistry
Chemie - Ingenieur - Technik 92(10), 1489 - 1500 (2020) [10.1002/cite.202000112]
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Journal Article
Rock ‘n’ use of CO 2 : carbon footprint of carbon capture and utilization by mineralization
Sustainable energy & fuels 4(9), 4482 - 4496 (2020) [10.1039/D0SE00190B]
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Preprint
How (Carbon) Negative Is Direct Air Capture? Life Cycle Assessment of an Industrial Temperature-Vacuum Swing Adsorption Process
[10.26434/chemrxiv.12833747.v1]
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Journal Article
Integrating superstructure‐based design of molecules, processes, and flowsheets
AIChE journal 66(5), e16903 (2020) [10.1002/aic.16903]
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Journal Article
Validated Performance Prediction of Adsorption Chillers: Bridging the Gap from Gram‐Scale Experiments to Full‐Scale Chillers
Energy technology 8(5), 1901130 - (2020) [10.1002/ente.201901130]
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Journal Article
Life Cycle Assessment for the Design of Chemical Processes, Products, and Supply Chains
Annual review of chemical and biomolecular engineering 11(1), 203-233 (2020) [10.1146/annurev-chembioeng-011520-075844]
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Journal Article
Computer-aided molecular and processes design based on quantum chemistry: current status and future prospects
Current opinion in chemical engineering 27, 89 - 97 (2020) [10.1016/j.coche.2019.11.007]
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Preprint
Extreme events in time series aggregation: A case study for optimal residential energy supply systems
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Journal Article
The carbon footprint of the carbon feedstock CO 2
Energy & environmental science 13(9), 2979 - 2992 (2020) [10.1039/D0EE01530J]
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Journal Article
A Guideline for Life Cycle Assessment of Carbon Capture and Utilization
Frontiers in energy research 8, 15 (2020) [10.3389/fenrg.2020.00015]
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Journal Article
Toward Optimal Metal–Organic Frameworks for Adsorption Chillers: Insights from the Scale‐Up of MIL‐101(Cr) and NH 2 ‐MIL‐125
Energy technology 8(1), 1900617 - (2020) [10.1002/ente.201900617]
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Contribution to a conference proceedings
Integrated In Silico Design of Catalysts and Processes based on Quantum Chemistry
30th European Symposium on Computer Aided Process Engineering, ESCAPE30, onlineonline, Italy, 30 Aug 2020 - 2 Sep 2020
Amsterdam [u.a.] : Elsevier (2020)
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Contribution to a conference proceedings
Hierarchical Model Predictive Control for Complex Building Energy Systems
8th Conference of IBPSA Germany and Austria, BauSim 2020, GrazGraz, Austria, 22 Sep 2020 - 25 Sep 2020
100-107 (2020)
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Journal Article
Hierarchical Model Predictive Control for Complex Building Energy Systems
Bauphysik 42(6), 306-314 (2020) [10.1002/bapi.202000031]
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Contribution to a conference proceedings
Design Optimization of a Heating Network with Multiple Heat Pumps using Mixed Integer Quadratically Constrained Programming
33rd International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems, ECOS2020, OsakaOsaka, Japan, 29 Jun 2020 - 3 Jul 2020
201-2012 (2020)
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Conference Presentation (Other)
FT5: Toolbox mit datenbanken
ES2050 Abschlusskonferenz, BerlinBerlin, Germany, 28 Sep 2020 - 30 Sep 2020
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Poster (Other)
ICT-Platform for Designing, Testing and Evaluating Energy System Solutions in Real-World Laboratories
ES2050 Abschlusskonferenz, BerlinBerlin, Germany, 28 Sep 2020 - 30 Sep 2020
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Journal Article/Contribution to a conference proceedings
Deterministic Global Nonlinear Model Predictive Control with Neural Networks Embedded
1st Virtual IFAC World Congress, onlineonline, Germany, 11 Jul 2020 - 17 Jul 2020
IFAC-PapersOnLine 53(2), 5273 - 5278 (2020) [10.1016/j.ifacol.2020.12.1207]
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Conference Presentation (After Call)
Physical Graph Neural Networks for Prediction of Fuel Ignition Quality
2020 Virtual AIChE Annual Meeting, onlineonline, USA, 16 Nov 2020 - 20 Nov 2020
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Journal Article
Controller-Embeddable Probabilistic Real-Time Digital Twins for Power Electronic Converter Diagnostics
IEEE transactions on power electronics 35(9), 9850 - 9864 (2020) [10.1109/TPEL.2020.2971775]
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Journal Article
Low Frequency Injection as a Method of Low-Level DC Microgrid Communication
Energies 13(10), 2452 - (2020) [10.3390/en13102452]
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Journal Article
Real-Time Simulation-Based Testing of Modern Energy Systems: A Review and Discussion
IEEE industrial electronics magazine 14(2), 28 - 39 (2020) [10.1109/MIE.2019.2957996]
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